3I7V 24.71 7.56 40.1 # A S 6 # SER 6 3I7V 26.81 2.51 43.67 # A K 31 # LYS 31 3I7V 24.82 2.59 40.46 # A G 32 # GLY 32 3I7V 23.16 4.65 37.75 # A N 33 # ASN 33 3I7V 31.02 14.0 44.3 # A I 65 # ILE 65 3I7V 34.55 13.1 38.33 # A Y 67 # TYR 67 3I7V 36.46 9.63 33.06 # A Y 69 # TYR 69 3I7V 29.84 11.75 36.33 # A K 78 # LYS 78 3I7V 39.55 8.0 44.8 # A Y 115 # TYR 115 4GXQ 45.67 -40.59 27.32 # B T 156 # THR 163 4GXQ 47.78 -39.75 24.28 # B S 157 # SER 164 4GXQ 49.88 -42.93 24.43 # B G 158 # GLY 165 4GXQ 53.22 -41.11 24.65 # B T 159 # THR 166 4GXQ 54.74 -43.37 27.32 # B T 160 # THR 167 4GXQ 41.98 -34.44 23.4 # B H 199 # HIS 207 4GXQ 49.89 -29.66 25.95 # B S 266 # SER 277 4GXQ 53.69 -29.72 25.44 # B A 267 # ALA 278 4GXQ 56.57 -27.58 26.67 # B P 268 # PRO 279 4GXQ 51.36 -21.14 29.24 # B E 286 # GLU 298 4GXQ 49.38 -23.65 31.3 # B R 287 # ARG 299 4GXQ 47.45 -30.08 32.34 # B G 289 # GLY 301 4GXQ 46.96 -33.77 31.78 # B M 290 # MET 302 4GXQ 44.2 -36.0 30.51 # B T 291 # THR 303 4GXQ 53.89 -23.3 33.69 # B V 310 # VAL 322 4GXQ 56.2 -35.34 35.51 # B D 365 # ASP 382 4GXQ 58.5 -28.98 34.44 # B I 376 # ILE 394 4GXQ 58.71 -36.75 32.19 # B R 379 # ARG 397 4Q4Z 182.15 12.7 81.29 # D R 702 # ARG 704 4Q4Z 186.01 7.82 86.76 # D D 741 # ASP 743 2QK4 -45.68 -11.13 56.16 # B V 147 # VAL 146 2QK4 -41.16 -13.85 52.3 # B K 149 # LYS 148 2QK4 -47.13 -7.83 53.32 # B V 158 # VAL 160 2QK4 -53.44 -7.48 55.27 # B K 160 # LYS 162 2QK4 -43.49 -13.62 60.06 # B E 184 # GLU 190 2QK4 -45.41 -11.24 62.28 # B E 185 # GLU 191 2QK4 -46.47 -7.85 60.97 # B L 186 # LEU 192 2QK4 -44.83 -5.17 63.1 # B L 187 # LEU 193 2QK4 -38.24 1.62 59.31 # B E 191 # GLU 197 2QK4 -42.56 4.35 46.14 # B R 214 # ARG 220 2QK4 -38.4 -1.49 62.54 # B M 272 # MET 278 2QK4 -36.45 -6.85 59.36 # B L 281 # LEU 287 4EDG 25.91 -45.83 -18.69 # A R 39 # ARG 146 4EDG 19.87 -56.2 -13.41 # A R 115 # ARG 222 4EDG 12.0 -58.35 -13.94 # A P 122 # PRO 229 4EDG 14.43 -55.53 -14.74 # A K 123 # LYS 230 4EDG 16.0 -55.99 -11.3 # A Y 124 # TYR 231 4EDG 14.21 -44.48 -5.3 # A E 159 # GLU 266 4EDG 16.91 -46.6 -6.87 # A G 160 # GLY 267 4EDG 20.28 -47.87 -5.73 # A F 161 # PHE 268 4EDG 21.5 -46.95 -9.25 # A M 162 # MET 269 4EDG 20.6 -43.35 -8.45 # A D 163 # ASP 270 4EDG 12.45 -51.12 -4.19 # A G 180 # GLY 287 4EDG 11.84 -39.62 -9.67 # A D 203 # ASP 310 4EDG 15.54 -39.49 -11.99 # A D 236 # ASP 343 3HNE -37.32 -27.86 -66.41 # B V 3 # VAL 3 3HNE -31.54 -29.29 -65.7 # B K 5 # LYS 5 3HNE -28.17 -29.18 -63.87 # B R 6 # ARG 6 3HNE -36.06 -31.46 -69.89 # B E 11 # GLU 11 3HNE -39.73 -32.31 -69.89 # B R 12 # ARG 12 3HNE -41.5 -35.43 -65.0 # B M 14 # MET 14 3HNE -39.17 -37.82 -60.42 # B K 17 # LYS 17 3HNE -39.31 -35.58 -57.26 # B I 18 # ILE 18 3HNE -36.42 -38.72 -54.9 # B R 21 # ARG 21 3HNE -33.67 -28.23 -60.8 # B T 53 # THR 53 3HNE -37.03 -27.26 -56.99 # B L 56 # LEU 56 3HNE -34.43 -28.61 -54.56 # B D 57 # ASP 57 3HNE -24.4 -32.28 -55.13 # B K 88 # LYS 88 4QQX -29.16 -19.83 7.71 # A L 264 # LEU 277 4QQX -30.69 -22.34 2.79 # A K 266 # LYS 279 4QQX -32.39 -18.92 2.51 # A P 267 # PRO 280 4QQX -35.97 -19.61 1.28 # A N 268 # ASN 281 4QQX -36.17 -14.39 1.5 # A Q 271 # GLN 284 4QQX -46.8 -19.28 9.02 # A M 294 # MET 307 4QQX -43.24 -20.53 9.39 # A G 295 # GLY 308 4QQX -41.78 -19.08 6.19 # A E 296 # GLU 309 4QQX -39.19 -16.89 7.87 # A G 297 # GLY 310 4QQX -41.04 -13.61 7.44 # A K 298 # LYS 311 4QQX -39.16 -12.44 10.56 # A T 299 # THR 312 4QQX -35.63 -12.41 9.05 # A E 300 # GLU 313 4QQX -34.93 -12.76 18.49 # A R 334 # ARG 347 4QQX -46.2 -8.15 12.36 # A D 425 # ASP 451 4CYJ 14.62 35.38 113.46 # B L 50 # LEU 256 4CYJ 15.42 39.1 113.43 # B D 51 # ASP 257 4CYJ 13.73 41.01 110.62 # B T 52 # THR 258 4CYJ 15.66 44.2 111.45 # B S 53 # SER 259 4CYJ 15.9 48.43 122.59 # B S 54 # SER 265 4CYJ 16.98 35.98 118.59 # B V 62 # VAL 273 4CYJ 13.82 30.7 121.22 # B A 75 # ALA 286 4CYJ 17.64 35.55 123.02 # B R 77 # ARG 288 4CYJ 6.72 33.31 127.5 # B V 106 # VAL 317 4CYJ 12.48 30.66 125.89 # B Y 126 # TYR 337 4CYJ 9.48 28.72 124.65 # B D 127 # ASP 338 4CYJ 9.45 29.04 120.88 # B F 128 # PHE 339 4CYJ 6.27 30.52 119.36 # B H 129 # HIS 340 4CYJ 6.37 30.11 115.56 # B P 130 # PRO 341 4CYJ 4.93 35.36 116.28 # B S 132 # SER 343 4CYJ 4.94 39.1 115.7 # B K 133 # LYS 344 4CYJ 5.35 41.84 118.3 # B T 134 # THR 345 4CYJ 4.93 47.01 117.7 # B Q 136 # GLN 347 4CYJ 5.27 45.2 114.37 # B E 137 # GLU 348 4CYJ 8.2 45.52 121.1 # B S 181 # SER 397 4CYJ 8.62 43.0 123.93 # B K 182 # LYS 398 4CYJ 4.27 39.1 121.2 # B I 184 # ILE 400 4CYJ 8.47 37.87 125.79 # B S 194 # SER 410 4PL7 0.25 -6.57 13.48 # A G 9 # GLY 13 4PL7 1.12 -4.36 10.5 # A S 10 # SER 14 4PL7 -0.27 -6.91 8.08 # A G 11 # GLY 15 4PL7 -2.16 -9.42 10.17 # A M 12 # MET 16 4PL7 -4.31 -12.39 15.44 # A K 14 # LYS 18 4PL7 6.74 -9.3 10.64 # A G 137 # GLY 156 4PL7 5.15 -7.68 7.58 # A D 138 # ASP 157 4PL7 6.01 -4.06 8.29 # A G 139 # GLY 158 4PL7 8.82 -4.02 10.83 # A V 140 # VAL 159 4PL7 7.82 -9.01 4.76 # A G 163 # GLY 182 4PL7 3.13 -12.54 -1.26 # A R 191 # ARG 210 4PL7 7.0 -15.75 -1.43 # A K 194 # LYS 213 4PL7 5.43 -17.7 1.46 # A E 195 # GLU 214 4PL7 7.17 -13.55 13.33 # A G 282 # GLY 301 4PL7 6.1 -14.61 9.92 # A G 283 # GLY 302 4PL7 9.13 -13.37 8.05 # A T 284 # THR 303 4PL7 9.36 -18.74 8.58 # A M 286 # MET 305 4PL7 11.52 -19.04 5.45 # A F 287 # PHE 306 4PL7 4.69 -17.26 13.32 # A K 317 # LYS 336 3W1G 26.76 13.33 138.55 # A E 258 # GLU 271 3W1G 23.98 15.56 137.25 # A T 259 # THR 272 3W1G 23.06 18.48 139.5 # A K 260 # LYS 273 3W1G 19.3 18.89 139.64 # A L 261 # LEU 274 3W1G 17.63 21.97 141.13 # A D 262 # ASP 275 3W1G 15.34 15.39 144.21 # A E 318 # GLU 331 3W1G 21.13 9.58 143.7 # A F 354 # PHE 367 3W1G 23.0 25.0 136.64 # A E 414 # GLU 427 3W1G 28.16 17.32 141.21 # A M 417 # MET 430 3W1G 31.64 12.88 144.44 # A K 419 # LYS 432 3W1G 30.4 15.63 147.83 # A W 434 # TRP 447 3W1G 29.22 21.03 143.66 # A K 436 # LYS 449 3W1G 28.89 26.08 139.13 # A K 438 # LYS 451 4TU0 28.58 -30.4 -17.82 # A G 34 # GLY 34 4TU0 26.38 -25.53 -16.96 # A K 37 # LYS 37 4TU0 35.48 -34.2 -18.0 # A G 114 # GLY 114 4TU0 35.58 -31.67 -20.82 # A V 115 # VAL 115 4RH7 -8.04 406.62 33.28 # A F 693 # PHE 1947 4RH7 -3.68 404.35 32.4 # A Y 698 # TYR 1952 4RH7 -3.31 405.82 28.93 # A E 699 # GLU 1953 4RH7 -11.53 401.24 25.61 # A Q 704 # GLN 1958 4RH7 -5.31 387.69 28.38 # A S 727 # SER 1981 4RH7 -4.05 391.17 28.36 # A G 728 # GLY 1982 4RH7 -6.94 392.04 26.09 # A A 729 # ALA 1983 4RH7 -7.8 394.49 28.82 # A G 730 # GLY 1984 4RH7 -11.14 392.98 29.5 # A K 731 # LYS 1985 4RH7 -10.79 392.65 33.22 # A S 732 # SER 1986 4RH7 -9.51 396.19 33.59 # A T 733 # THR 1987 4RH7 -14.75 387.24 32.11 # A E 841 # GLU 2095 4RH7 0.22 400.47 26.16 # A L 871 # LEU 2125 4RH7 5.57 391.82 28.35 # A M 919 # MET 2173 4RH7 -4.81 383.17 30.85 # A R 1166 # ARG 2420 2ZHZ -8.08 -8.82 37.95 # B R 7 # ARG 11 2ZHZ -4.43 -9.95 38.12 # B T 8 # THR 12 2ZHZ -3.28 -8.82 34.67 # B G 9 # GLY 13 2ZHZ 1.47 -7.01 32.88 # B T 13 # THR 17 2ZHZ 1.86 -10.67 33.8 # B T 14 # THR 18 2ZHZ 4.18 -12.84 35.86 # B G 15 # GLY 19 2ZHZ 2.22 -8.63 28.06 # B K 24 # LYS 28 2ZHZ 5.27 -13.48 26.43 # B I 29 # ILE 33 2ZHZ 1.75 -17.22 23.2 # B G 33 # GLY 37 2ZHZ 7.08 -21.62 11.96 # B R 125 # ARG 129 2ZHZ 9.98 -20.36 15.65 # B E 128 # GLU 132 2ZHZ 10.34 -16.73 14.55 # B R 129 # ARG 133 2ZHZ 12.57 -26.17 13.59 # B N 149 # ASN 153 2ZAN 47.99 30.04 2.49 # A D 12 # ASP 135 2ZAN 49.2 28.89 5.88 # A V 13 # VAL 136 2ZAN 46.55 29.31 8.57 # A A 14 # ALA 137 2ZAN 51.29 30.11 12.94 # A L 16 # LEU 139 2ZAN 53.4 17.19 16.47 # A P 52 # PRO 175 2ZAN 52.54 15.63 13.1 # A P 53 # PRO 176 2ZAN 50.56 17.46 10.45 # A G 54 # GLY 177 2ZAN 50.74 20.84 12.14 # A T 55 # THR 178 2ZAN 52.5 22.71 9.37 # A G 56 # GLY 179 2ZAN 56.19 21.76 9.46 # A K 57 # LYS 180 2ZAN 56.8 20.67 5.86 # A S 58 # SER 181 2ZAN 54.02 22.99 4.62 # A Y 59 # TYR 182 2ZAN 57.73 15.42 14.87 # A N 147 # ASN 279 2ZAN 41.85 25.71 6.68 # A M 177 # MET 309 2ZAN 41.44 23.71 1.07 # A H 181 # HIS 313 2ZAN 46.11 20.6 9.76 # A G 206 # GLY 338 2ZAN 46.79 17.29 8.03 # A A 207 # ALA 339 2ZAN 43.23 18.46 4.92 # A S 210 # SER 342 1YUN 19.18 -50.36 69.63 # A F 7 # PHE 8 1YUN 21.15 -49.89 66.44 # A G 8 # GLY 9 1YUN 24.9 -49.24 66.28 # A G 9 # GLY 10 1YUN 27.97 -50.21 64.29 # A T 10 # THR 11 1YUN 29.39 -51.72 67.53 # A F 11 # PHE 12 1YUN 33.1 -51.91 66.46 # A D 12 # ASP 13 1YUN 31.57 -52.03 74.8 # A H 15 # HIS 16 1YUN 28.97 -47.82 77.22 # A G 17 # GLY 18 1YUN 26.58 -49.47 74.77 # A H 18 # HIS 19 1YUN 22.99 -47.82 77.99 # A S 21 # SER 22 1YUN 26.79 -42.86 79.24 # A P 173 # PRO 174 1YUN 30.17 -44.09 80.43 # A L 174 # LEU 175 1YUN 33.95 -45.36 76.83 # A V 176 # VAL 177 1YUN 34.47 -45.08 73.05 # A S 177 # SER 178 1YUN 34.93 -47.72 70.38 # A A 178 # ALA 179 1YUN 37.57 -45.44 68.75 # A T 179 # THR 180 1YUN 40.65 -49.72 68.87 # A R 182 # ARG 183 2PBZ 62.26 37.34 8.96 # C F 125 # PHE 129 2PBZ 57.79 32.83 12.63 # C E 129 # GLU 145 2PBZ 61.78 38.3 4.02 # C E 143 # GLU 163 2PBZ 63.9 41.41 4.5 # C R 144 # ARG 164 2PBZ 63.83 42.4 8.16 # C F 145 # PHE 165 2PBZ 61.94 45.65 8.67 # C I 146 # ILE 166 2PBZ 53.28 47.08 12.23 # C Y 150 # TYR 170 2PBZ 46.76 46.29 10.68 # C Y 152 # TYR 172 2PBZ 53.31 40.37 20.94 # C L 174 # LEU 194 2PBZ 61.54 47.4 28.97 # C R 181 # ARG 201 2PBZ 55.97 36.93 17.61 # C Y 189 # TYR 209 2PBZ 53.18 41.66 4.66 # C I 242 # ILE 263 3H8V 38.77 -24.0 17.71 # A G 12 # GLY 80 3H8V 42.84 -25.03 21.56 # A G 14 # GLY 82 3H8V 43.53 -22.99 24.7 # A G 15 # GLY 83 3H8V 39.06 -27.75 14.38 # A D 36 # ASP 104 3H8V 41.62 -28.8 11.76 # A Y 37 # TYR 105 3H8V 44.65 -29.57 13.95 # A D 38 # ASP 106 3H8V 42.19 -32.42 18.06 # A K 47 # LYS 127 3H8V 39.37 -26.35 7.5 # A N 70 # ASN 150 3H8V 36.35 -24.04 7.36 # A I 71 # ILE 151 3H8V 38.19 -21.32 5.25 # A T 72 # THR 152 3H8V 37.89 -19.66 19.89 # A C 101 # CYS 181 3H8V 40.16 -19.74 16.82 # A V 102 # VAL 182 3H8V 43.59 -18.07 16.74 # A D 103 # ASP 183 3H8V 43.67 -16.27 13.36 # A N 104 # ASN 184 3H8V 39.01 -18.08 10.52 # A A 107 # ALA 187 3FVQ -17.21 -16.36 47.95 # B F 13 # PHE 14 3FVQ -15.04 -18.63 50.1 # B Q 14 # GLN 15 3FVQ -12.78 -15.18 46.79 # B T 16 # THR 17 3FVQ -15.69 -9.85 44.85 # B V 18 # VAL 19 3FVQ -15.92 -8.65 32.73 # B S 38 # SER 39 3FVQ -15.81 -10.12 36.21 # B G 39 # GLY 40 3FVQ -15.71 -6.78 38.1 # B C 40 # CYS 41 3FVQ -18.86 -7.56 40.25 # B G 41 # GLY 42 3FVQ -21.84 -5.87 38.48 # B K 42 # LYS 43 3FVQ -24.26 -8.82 38.6 # B T 43 # THR 44 3FVQ -23.15 -9.73 42.11 # B T 44 # THR 45 3FVQ -28.68 -11.25 32.73 # B Q 86 # GLN 87 3FVQ -45.05 -18.64 21.12 # B R 133 # ARG 134 3FVQ -39.91 -21.2 19.8 # B E 137 # GLU 138 3FVQ -34.69 -16.45 18.61 # B S 139 # SER 140 3FVQ -32.15 -15.15 21.19 # B G 140 # GLY 141 3FVQ -33.15 -11.48 20.8 # B G 141 # GLY 142 3FVQ -36.84 -12.37 20.75 # B Q 142 # GLN 143 4AT8 3.88 -5.37 -66.43 # A G 79 # GLY 106 4AT8 0.32 -5.66 -67.7 # A S 80 # SER 107 4AT8 -0.91 -8.59 -64.14 # A K 83 # LYS 110 4AT8 7.99 -7.01 -70.25 # A D 94 # ASP 121 4AT8 5.27 -3.96 -58.28 # A H 180 # HIS 207 4AT8 -5.69 3.36 -68.7 # A K 201 # LYS 228 4AT8 1.68 6.93 -64.06 # A T 214 # THR 241 4AT8 1.93 2.24 -61.18 # A W 216 # TRP 243 2F02 53.52 27.32 37.08 # A K 183 # LYS 183 2F02 57.25 22.32 35.35 # A N 185 # ASN 185 2F02 53.4 20.48 38.16 # A S 222 # SER 223 2F02 54.84 16.96 38.04 # A L 223 # LEU 224 2F02 52.69 15.27 35.34 # A G 224 # GLY 225 2F02 51.19 11.99 36.54 # A K 225 # LYS 226 2F02 50.59 15.59 40.82 # A G 227 # GLY 228 2F02 46.47 12.53 42.29 # A I 241 # ILE 242 2F02 44.22 7.67 34.85 # A I 244 # ILE 245 2F02 45.84 9.19 29.33 # A A 246 # ALA 247 2F02 48.33 20.81 26.67 # A G 251 # GLY 252 2F02 47.65 19.47 30.19 # A S 252 # SER 253 2F02 49.82 22.3 31.61 # A G 253 # GLY 254 2F02 47.57 24.83 29.87 # A D 254 # ASP 255 2F02 46.0 23.31 34.75 # A T 256 # THR 257 2F02 44.95 18.88 33.67 # A G 280 # GLY 282 3VNU 22.35 69.68 6.13 # A K 864 # LYS 908 3VNU 16.84 70.37 6.8 # A R 870 # ARG 914 3VNU 12.51 66.45 8.18 # A I 872 # ILE 916 3VNU 17.38 69.49 -9.57 # A D 924 # ASP 968 3VNU 14.33 71.23 -8.13 # A L 925 # LEU 969 3VNU 14.58 73.48 -5.07 # A S 926 # SER 970 3VNU 12.51 71.89 -2.33 # A A 927 # ALA 971 3VNU 11.21 68.69 -3.84 # A A 928 # ALA 972 3VNU 9.05 66.8 -1.42 # A S 929 # SER 973 3VNU 10.3 64.71 4.1 # A M 973 # MET 1017 3VNU 10.54 61.61 6.28 # A G 974 # GLY 1018 3VNU 10.23 59.59 -2.15 # A F 979 # PHE 1023 3VNU 7.86 62.56 -5.86 # A E 982 # GLU 1026 3VNU 14.31 64.92 -7.52 # A D 1009 # ASP 1053 3VNU 17.39 74.9 -9.09 # A N 1033 # ASN 1077 2QB8 50.87 -19.33 52.31 # A H 145 # HIS 149 2QB8 38.23 -22.21 54.03 # A K 264 # LYS 268 2QB8 35.77 -14.04 52.41 # A S 282 # SER 286 2QB8 36.72 -4.45 56.26 # A R 330 # ARG 334 2QB8 43.16 -10.49 55.61 # A T 376 # THR 380 2QB8 41.97 -14.04 56.29 # A R 377 # ARG 381 1XDP -3.96 -36.39 68.57 # B F 16 # PHE 17 1XDP -10.42 -36.12 67.16 # B V 20 # VAL 21 1XDP -13.37 -42.42 64.18 # B I 40 # ILE 41 1XDP -8.3 -44.9 65.91 # B N 44 # ASN 45 1XDP 1.17 -49.48 48.91 # B Y 373 # TYR 374 1XDP -2.46 -49.61 49.97 # B R 374 # ARG 375 1XDP 6.07 -45.9 50.6 # B H 434 # HIS 435 1XDP -7.42 -37.41 52.93 # B Y 467 # TYR 468 1XDP -1.44 -33.42 62.5 # B R 563 # ARG 564 1XDP -11.15 -31.3 60.73 # B D 586 # ASP 587 1XDP -7.83 -35.99 57.42 # B L 589 # LEU 590 1XDP -2.4 -36.13 55.03 # B H 591 # HIS 592 1XDP 3.36 -33.36 53.24 # B R 593 # ARG 594 1GZ3 39.76 -25.34 47.33 # C R 146 # ARG 165 1GZ3 42.32 -22.91 54.33 # C N 240 # ASN 259 1GZ3 39.52 -36.68 60.67 # C L 291 # LEU 310 1GZ3 40.98 -33.36 59.61 # C G 292 # GLY 311 1GZ3 41.56 -30.05 61.39 # C A 293 # ALA 312 1GZ3 40.79 -27.35 58.85 # C G 294 # GLY 313 1GZ3 37.88 -25.21 57.67 # C E 295 # GLU 314 1GZ3 35.11 -27.72 58.39 # C A 296 # ALA 315 1GZ3 43.63 -35.95 63.56 # C F 325 # PHE 344 1GZ3 44.99 -34.13 60.5 # C D 326 # ASP 345 1GZ3 47.39 -35.3 57.78 # C K 327 # LYS 346 1GZ3 36.29 -33.84 56.87 # C V 373 # VAL 392 1GZ3 39.71 -34.18 55.25 # C A 374 # ALA 393 1GZ3 38.66 -34.05 51.61 # C G 375 # GLY 394 1GZ3 41.15 -36.84 50.96 # C A 376 # ALA 395 1GZ3 33.97 -34.65 52.16 # C S 401 # SER 420 5JRJ 39.23 56.61 36.41 # A P 66 # PRO 74 5JRJ 36.13 57.23 34.2 # A E 67 # GLU 75 5JRJ 35.39 54.32 31.85 # A S 68 # SER 76 5JRJ 37.68 51.89 33.7 # A S 69 # SER 77 5JRJ 34.89 49.42 34.36 # A G 70 # GLY 78 5JRJ 33.44 50.42 37.76 # A K 71 # LYS 79 5JRJ 29.81 50.66 36.65 # A T 72 # THR 80 5JRJ 30.21 47.48 34.62 # A T 73 # THR 81 5JRJ 22.37 52.99 30.32 # A D 99 # ASP 107 5JRJ 23.69 47.93 28.66 # A Y 102 # TYR 110 5JRJ 22.79 43.1 28.2 # A K 105 # LYS 113 5JRJ 35.77 58.29 40.74 # A Q 181 # GLN 201 5JRJ 35.74 44.47 28.98 # A I 233 # ILE 269 5JRJ 31.66 47.42 24.64 # A Y 235 # TYR 271 5JRJ 28.13 46.18 25.05 # A G 236 # GLY 272 2VT3 14.53 0.86 -15.03 # B I 85 # ILE 91 2VT3 12.45 0.79 -18.22 # B G 86 # GLY 92 2VT3 14.23 0.74 -21.55 # B V 87 # VAL 93 2VT3 11.5 2.39 -23.7 # B G 88 # GLY 94 2VT3 11.93 5.56 -25.77 # B N 89 # ASN 95 2VT3 12.88 -4.19 -18.29 # B D 112 # ASP 118 2VT3 10.02 -6.75 -18.55 # B I 113 # ILE 119 2VT3 9.91 -6.92 -22.42 # B N 114 # ASN 120 2VT3 14.89 -6.19 -24.74 # B K 117 # LYS 123 2VT3 13.36 -6.94 -13.44 # B L 130 # LEU 136 2VT3 11.29 5.53 -16.91 # B T 146 # THR 152 2VT3 8.39 3.06 -16.62 # B V 147 # VAL 153 2VT3 4.62 3.65 -16.9 # B P 148 # PRO 154 2VT3 4.41 0.28 -12.37 # B A 151 # ALA 157 2VT3 9.51 -0.9 -8.26 # B I 155 # ILE 161 2IXF 36.13 27.7 -27.47 # B Y 25 # TYR 489 2IXF 33.72 31.76 -29.54 # B H 28 # HIS 492 2IXF 35.14 29.66 -20.14 # B V 33 # VAL 497 2IXF 27.03 25.67 -10.87 # B P 52 # PRO 516 2IXF 25.5 25.41 -14.32 # B N 53 # ASN 517 2IXF 27.89 26.65 -16.98 # B G 54 # GLY 518 2IXF 30.91 26.78 -14.62 # B S 55 # SER 519 2IXF 32.99 24.71 -17.09 # B G 56 # GLY 520 2IXF 32.83 21.07 -15.89 # B K 57 # LYS 521 2IXF 32.21 19.43 -19.27 # B S 58 # SER 522 2IXF 34.78 21.8 -20.8 # B T 59 # THR 523 2IXF 12.77 1.6 -33.4 # B G 153 # GLY 617 2IXF 13.5 0.42 -29.83 # B N 154 # ASN 618 2IXF 15.58 3.24 -28.37 # B Q 155 # GLN 619 2IXF 15.77 1.66 -24.84 # B L 156 # LEU 620 2IXF 15.26 3.59 -21.58 # B S 157 # SER 621 2IXF 17.61 6.39 -20.53 # B G 158 # GLY 622 2IXF 19.18 4.33 -17.73 # B G 159 # GLY 623 2IXF 19.53 1.3 -19.96 # B Q 160 # GLN 624 2IXF 27.22 13.06 -15.06 # B Q 181 # GLN 645 2IXF 25.45 17.69 -9.28 # B H 214 # HIS 678 4JYZ 17.77 39.62 -20.26 # A F 25 # PHE 31 4JYZ 16.56 43.1 -19.18 # A P 26 # PRO 32 4JYZ 19.43 45.14 -17.65 # A P 27 # PRO 33 4JYZ 18.85 48.8 -16.72 # A E 28 # GLU 34 4JYZ 28.61 41.99 -12.71 # A H 34 # HIS 40 4JYZ 25.46 38.4 -10.68 # A G 36 # GLY 42 4JYZ 24.08 39.5 -14.03 # A H 37 # HIS 43 4JYZ 20.88 35.83 -15.13 # A S 40 # SER 46 4JYZ 15.05 37.58 -8.85 # A T 224 # THR 230 4JYZ 15.06 32.74 -8.56 # A F 252 # PHE 258 4JYZ 20.22 36.28 -6.64 # A R 254 # ARG 260 4JYZ 23.91 35.4 -6.5 # A L 255 # LEU 261 4JYZ 27.0 42.9 -5.81 # A M 262 # MET 268 4JYZ 25.14 48.38 -8.54 # A K 264 # LYS 270 4FFO 2.47 3.23 22.44 # A G 8 # GLY 8 4FFO 3.98 4.32 19.13 # A G 9 # GLY 9 4FFO 6.4 7.17 19.81 # A K 10 # LYS 10 4FFO -1.88 3.58 19.75 # A D 31 # ASP 31 4FFO -4.8 5.98 20.26 # A K 32 # LYS 32 4FFO -7.65 2.58 19.67 # A F 48 # PHE 48 4FFO -7.38 3.82 23.25 # A D 49 # ASP 49 4FFO -6.78 0.79 25.5 # A V 50 # VAL 50 4FFO -8.59 2.47 28.42 # A I 51 # ILE 51 4FFO 4.26 4.88 26.96 # A N 71 # ASN 71 4FFO 4.46 7.05 30.08 # A E 72 # GLU 72 4FFO 0.76 7.89 30.26 # A N 73 # ASN 73 4FFO -2.78 3.97 30.74 # A C 76 # CYS 76 1KVK 50.11 37.41 11.48 # A K 13 # LYS 13 1KVK 46.81 20.37 22.56 # A L 53 # LEU 53 1KVK 45.87 25.34 25.1 # A N 55 # ASN 55 1KVK 35.05 24.48 17.22 # A N 88 # ASN 104 1KVK 38.61 23.24 17.65 # A E 89 # GLU 105 1KVK 41.88 20.73 14.2 # A S 92 # SER 108 1KVK 51.54 28.71 21.12 # A S 119 # SER 135 1KVK 40.39 33.54 17.26 # A G 124 # GLY 140 1KVK 42.51 37.14 13.94 # A G 126 # GLY 142 1KVK 46.26 36.48 14.26 # A L 127 # LEU 143 1KVK 45.95 33.33 12.13 # A G 128 # GLY 144 1KVK 46.85 30.81 14.8 # A S 129 # SER 145 1KVK 45.29 27.88 12.94 # A S 130 # SER 146 1KVK 39.38 23.8 9.18 # A I 180 # ILE 196 1KVK 38.33 26.97 7.31 # A H 181 # HIS 197 1KVK 47.81 33.13 6.72 # A D 188 # ASP 204 3EHG 21.87 43.42 10.77 # A E 47 # GLU 289 3EHG 19.11 47.98 13.76 # A N 51 # ASN 293 3EHG 16.4 47.13 16.3 # A V 52 # VAL 294 3EHG 20.59 50.77 17.87 # A K 54 # LYS 296 3EHG 17.54 52.65 16.64 # A H 55 # HIS 297 3EHG 14.06 51.36 17.53 # A S 56 # SER 298 3EHG 9.76 45.48 16.45 # A D 78 # ASP 320 3EHG 9.47 53.79 16.18 # A T 81 # THR 323 3EHG 11.19 54.04 12.82 # A F 82 # PHE 324 3EHG 13.85 56.74 12.78 # A K 83 # LYS 325 3EHG 14.8 56.94 9.11 # A G 84 # GLY 326 3EHG 16.2 55.19 4.24 # A S 88 # SER 330 3EHG 27.26 52.39 2.68 # A G 92 # GLY 334 3EHG 24.59 51.27 5.17 # A H 93 # HIS 335 3EHG 22.76 48.14 6.17 # A G 94 # GLY 336 3EHG 19.26 48.54 4.64 # A L 95 # LEU 337 3EHG 9.54 48.55 11.82 # A T 117 # THR 359 5SVK 212.68 200.95 162.94 # B V 268 # VAL 274 5SVK 213.99 200.61 159.35 # B S 269 # SER 275 5SVK 214.94 202.51 149.57 # B N 273 # ASN 279 5SVK 215.41 208.85 146.35 # B R 275 # ARG 281 5SVK 211.43 207.06 145.72 # B K 293 # LYS 299 1TIL 74.39 8.04 108.15 # A E 46 # GLU 46 1TIL 73.11 13.95 107.18 # A N 50 # ASN 50 1TIL 71.67 16.17 109.91 # A A 51 # ALA 51 1TIL 72.77 18.73 105.15 # A H 54 # HIS 54 1TIL 70.42 19.75 107.94 # A G 55 # GLY 55 1TIL 67.09 18.05 113.41 # A D 81 # ASP 81 1TIL 64.6 20.2 105.5 # A G 85 # GLY 85 1TIL 64.13 18.0 102.45 # A I 86 # ILE 86 1TIL 66.4 12.17 97.9 # A A 92 # ALA 92 1TIL 72.8 13.78 96.32 # A T 98 # THR 98 1TIL 72.69 17.56 96.46 # A T 99 # THR 99 1TIL 79.01 12.72 98.87 # A R 105 # ARG 105 1TIL 78.11 9.3 97.41 # A S 106 # SER 106 1TIL 74.31 9.45 97.67 # A G 107 # GLY 107 1TIL 74.29 6.06 99.43 # A M 108 # MET 108 1TIL 73.12 7.22 102.87 # A G 109 # GLY 109 1TIL 69.39 6.53 102.61 # A F 110 # PHE 110 1TIL 63.92 16.5 109.24 # A T 130 # THR 130 1TIL 80.3 2.85 146.17 # D A 60 # ALA 58 2IYW 32.1 24.32 -10.43 # A L 9 # LEU 10 2IYW 33.59 20.92 -11.26 # A P 10 # PRO 11 2IYW 35.94 19.9 -8.47 # A G 11 # GLY 12 2IYW 34.46 22.39 -5.99 # A S 12 # SER 13 2IYW 33.42 19.5 -3.72 # A G 13 # GLY 14 2IYW 29.71 18.9 -4.42 # A K 14 # LYS 15 2IYW 30.17 15.11 -4.01 # A S 15 # SER 16 2IYW 32.78 15.14 -1.22 # A T 16 # THR 17 2IYW 40.98 18.76 -8.53 # A R 109 # ARG 110 2IYW 37.28 25.8 -0.57 # A T 149 # THR 150 2IYW 40.08 24.62 3.48 # A R 152 # ARG 153 2IYW 40.16 20.82 3.47 # A N 153 # ASN 154 2IYW 36.75 19.01 3.37 # A P 154 # PRO 155 2IYW 34.49 23.2 4.84 # A V 157 # VAL 158 2ZSF 2.63 46.89 23.18 # A G 34 # GLY 39 2ZSF 6.32 44.94 19.6 # A E 37 # GLU 42 2ZSF 11.37 49.72 25.46 # A A 95 # ALA 100 2ZSF 12.77 46.21 25.28 # A V 96 # VAL 101 2ZSF 9.44 44.43 25.35 # A G 97 # GLY 102 2ZSF 9.35 43.07 28.91 # A K 98 # LYS 103 2ZSF 5.96 44.62 29.65 # A S 99 # SER 104 2ZSF 4.48 42.62 26.76 # A T 100 # THR 105 2ZSF 1.55 40.11 29.96 # A R 103 # ARG 108 2ZSF 1.35 56.59 32.27 # A H 174 # HIS 179 2ZSF 8.19 54.22 19.74 # A R 233 # ARG 238 2ZSF 3.42 57.93 20.24 # A M 237 # MET 242 2ZSF -0.69 58.66 23.76 # A A 241 # ALA 246 4UP9 -67.48 0.69 -0.9 # A R 255 # ARG 251 4UP9 -60.19 8.64 -7.59 # A T 262 # THR 258 4UP9 -62.66 7.25 -5.05 # A H 263 # HIS 259 4UP9 -66.41 7.71 -4.63 # A N 264 # ASN 260 4UP9 -69.1 3.74 -8.44 # A F 267 # PHE 263 4UP9 -61.94 5.94 -14.33 # A R 470 # ARG 539 4UP9 -63.61 11.49 -10.55 # A I 481 # ILE 550 3F5M 44.79 -9.55 39.94 # B G 89 # GLY 106 3F5M 43.54 -7.22 37.22 # B G 90 # GLY 107 3F5M 45.46 -11.04 49.35 # B Y 122 # TYR 139 3F5M 49.33 -7.42 43.1 # B R 156 # ARG 173 3F5M 52.16 -9.15 44.97 # B G 157 # GLY 174 3F5M 52.31 -12.08 47.42 # B P 158 # PRO 175 3F5M 41.04 -14.03 40.17 # B G 180 # GLY 197 3F5M 43.33 -15.65 37.66 # B G 181 # GLY 198 3F5M 46.1 -18.19 37.49 # B D 182 # ASP 199 3F5M 48.17 -16.39 40.1 # B G 183 # GLY 200 3F5M 45.19 -16.11 42.42 # B T 184 # THR 201 3F5M 47.95 -20.85 42.76 # B R 186 # ARG 203 3F5M 47.83 -18.68 45.9 # B G 187 # GLY 204 3F5M 38.82 -14.5 36.37 # B K 209 # LYS 226 3F5M 53.22 -10.59 41.41 # B S 320 # SER 341 3F5M 54.26 -11.64 35.99 # B N 322 # ASN 343 1QHX 19.1 45.63 35.27 # A G 11 # GLY 11 1QHX 16.8 46.87 32.55 # A S 12 # SER 12 1QHX 15.94 44.22 29.94 # A S 13 # SER 13 1QHX 17.27 41.47 32.2 # A A 14 # ALA 14 1QHX 13.83 39.9 31.85 # A G 15 # GLY 15 1QHX 12.23 40.71 35.21 # A K 16 # LYS 16 1QHX 8.7 41.47 34.0 # A S 17 # SER 17 1QHX 8.63 38.3 31.93 # A G 18 # GLY 18 1QHX 7.21 50.42 35.69 # A D 37 # ASP 37 1QHX 16.89 42.55 23.95 # A R 129 # ARG 129 1QHX 11.86 45.52 22.57 # A R 133 # ARG 133 1QHX 13.54 51.35 24.63 # A R 136 # ARG 136 1QHX 18.44 34.8 31.79 # A T 160 # THR 160 1QHX 17.51 30.39 30.42 # A K 163 # LYS 163 1QHX 13.93 31.19 29.42 # A E 164 # GLU 164 1QHX 11.69 33.3 31.65 # A S 165 # SER 165 1V1B 24.3 46.24 20.45 # A N 165 # ASN 165 1V1B 26.95 44.03 13.32 # A S 193 # SER 193 1V1B 31.31 44.35 12.08 # A K 219 # LYS 219 1V1B 32.61 38.81 12.78 # A G 221 # GLY 221 1V1B 36.67 41.73 9.31 # A G 224 # GLY 224 1V1B 40.11 40.36 11.24 # A A 238 # ALA 238 1V1B 43.17 38.74 12.84 # A F 239 # PHE 239 1V1B 42.84 33.67 16.1 # A V 241 # VAL 241 1V1B 33.91 35.91 22.15 # A P 246 # PRO 246 1V1B 33.09 41.6 24.97 # A G 248 # GLY 248 1V1B 34.9 41.53 21.62 # A A 249 # ALA 249 1V1B 32.47 43.94 19.95 # A G 250 # GLY 250 1V1B 32.97 46.46 22.76 # A D 251 # ASP 251 1V1B 36.39 46.59 18.67 # A F 253 # PHE 253 1V1B 40.09 44.47 14.72 # A N 275 # ASN 275 1V1B 38.41 42.66 19.09 # A G 278 # GLY 278 1V1B 40.71 39.72 18.37 # A A 279 # ALA 279 1V1B 37.97 37.28 21.69 # A A 282 # ALA 282 3EA0 32.01 5.92 56.25 # B S 11 # SER 8 3EA0 29.27 1.7 57.18 # B K 13 # LYS 10 3EA0 28.93 1.69 53.4 # B G 14 # GLY 11 3EA0 25.8 3.64 52.51 # B G 15 # GLY 12 3EA0 26.05 5.97 55.55 # B D 16 # ASP 13 3EA0 26.62 9.02 53.34 # B G 17 # GLY 14 3EA0 30.36 9.42 53.63 # B G 18 # GLY 15 3EA0 30.96 10.37 50.0 # B S 19 # SER 16 3EA0 27.85 12.5 49.73 # B C 20 # CYS 17 3EA0 31.89 7.6 43.26 # B D 48 # ASP 45 3EA0 28.0 14.26 43.75 # B Y 51 # TYR 49 3EA0 37.23 10.52 50.87 # B D 123 # ASP 122 3EA0 24.81 -1.78 62.08 # B Q 151 # GLN 150 3EA0 24.01 11.62 58.87 # B N 178 # ASN 177 3EA0 20.3 11.16 58.39 # B R 179 # ARG 178 3EA0 19.24 15.72 58.14 # B P 203 # PRO 203 3EA0 17.89 13.36 55.53 # B Q 204 # GLN 204 3EA0 16.5 14.7 52.24 # B D 205 # ASP 205 3EA0 16.29 12.03 49.54 # B E 206 # GLU 206 4QF5 1.09 -3.01 16.22 # A S 117 # SER 123 4QF5 4.47 -4.54 15.4 # A G 118 # GLY 124 4QF5 4.01 -5.19 11.68 # A K 119 # LYS 125 4QF5 6.97 -3.16 10.4 # A T 120 # THR 126 4QF5 9.29 -4.49 13.13 # A T 121 # THR 127 4QF5 0.89 -1.3 3.28 # A N 144 # ASN 150 4QF5 3.11 -6.08 5.43 # A E 166 # GLU 172 4QF5 -1.87 -9.19 17.82 # A N 191 # ASN 197 4QF5 6.87 -6.74 23.04 # A H 285 # HIS 292 4QF5 7.42 -10.01 17.78 # A N 289 # ASN 296 4QF5 10.46 2.98 16.37 # A R 320 # ARG 327 4QF5 12.38 3.11 19.67 # A L 321 # LEU 328 4QF5 9.47 6.59 19.16 # A D 334 # ASP 341 4QF5 2.96 6.52 15.4 # A N 337 # ASN 344 4QF5 2.31 0.79 22.16 # A S 342 # SER 349 4QF5 4.94 -0.72 25.95 # A A 345 # ALA 352 4QF5 6.04 9.39 21.41 # A K 441 # LYS 448 4M3W 0.65 -14.03 56.17 # A D 411 # ASP 411 4M3W -2.58 -12.09 55.93 # A L 412 # LEU 412 4M3W -5.64 -13.62 54.33 # A T 413 # THR 413 4M3W -6.53 -11.49 51.28 # A S 414 # SER 414 4M3W -4.45 -8.63 52.65 # A A 415 # ALA 415 4M3W -5.38 -5.56 50.59 # A Y 416 # TYR 416 4M3W -9.1 -6.38 50.32 # A P 417 # PRO 417 4M3W -13.06 -16.76 46.74 # A R 482 # ARG 482 4M3W -8.4 -13.28 44.38 # A K 560 # LYS 560 4M3W -6.69 -7.43 44.41 # A N 564 # ASN 564 4M3W 1.88 -9.0 54.41 # A D 623 # ASP 623 4DTH 37.59 84.98 15.73 # A F 5 # PHE 4 4DTH 29.14 92.77 18.51 # A S 13 # SER 12 4DTH 30.86 94.55 15.62 # A I 14 # ILE 13 4DTH 33.57 93.68 13.12 # A G 15 # GLY 14 4DTH 35.07 95.8 10.33 # A I 16 # ILE 15 4DTH 36.62 95.12 6.88 # A E 17 # GLU 16 4DTH 39.69 92.46 8.98 # A V 81 # VAL 80 4DTH 39.08 93.22 12.65 # A S 82 # SER 81 4DTH 35.03 91.45 16.55 # A P 84 # PRO 83 4DTH 29.4 93.47 10.37 # A T 165 # THR 164 4DTH 25.14 91.2 -2.18 # A K 261 # LYS 260 4DTH 25.64 86.59 7.12 # A R 269 # ARG 268 4DTH 29.83 80.6 3.78 # A H 320 # HIS 319 4DTH 29.13 83.04 10.33 # A I 322 # ILE 321 4DTH 28.48 83.13 16.82 # A A 325 # ALA 324 4DTH 25.17 88.6 11.75 # A L 338 # LEU 337 4DTH 27.08 92.99 6.75 # A E 340 # GLU 339 1ZFN -67.56 204.68 15.56 # A R 11 # ARG 11 1ZFN -59.26 178.33 12.39 # A I 34 # ILE 34 1ZFN -62.58 177.01 13.67 # A G 35 # GLY 35 1ZFN -66.06 178.5 13.32 # A L 36 # LEU 36 1ZFN -67.85 177.28 16.41 # A G 37 # GLY 37 1ZFN -68.55 178.95 19.74 # A G 38 # GLY 38 1ZFN -61.38 177.57 8.11 # A A 58 # ALA 58 1ZFN -63.73 174.82 9.26 # A D 59 # ASP 59 1ZFN -67.67 170.77 10.07 # A D 61 # ASP 61 1ZFN -74.76 174.5 17.65 # A N 67 # ASN 67 1ZFN -74.12 179.55 21.01 # A R 70 # ARG 70 1ZFN -72.77 179.78 17.46 # A Q 71 # GLN 71 1ZFN -69.91 176.0 8.41 # A K 83 # LYS 83 1ZFN -61.17 171.67 5.62 # A Q 105 # GLN 105 1ZFN -59.12 170.81 8.7 # A R 106 # ARG 106 1ZFN -55.92 172.85 8.61 # A L 107 # LEU 107 1ZFN -60.78 178.89 17.61 # A C 125 # CYS 125 1ZFN -60.55 175.14 17.66 # A T 126 # THR 126 1ZFN -61.35 173.38 20.89 # A D 127 # ASP 127 1ZFN -54.82 171.21 16.39 # A T 131 # THR 131 4KB6 -13.56 -29.19 -13.75 # A G 53 # GLY 187 4KB6 -12.81 -25.92 -11.92 # A S 54 # SER 188 4KB6 -8.57 -25.76 -14.72 # A E 57 # GLU 191 4KB6 -11.79 -23.09 -7.97 # A K 60 # LYS 194 4KB6 -15.64 -30.19 -4.88 # A Q 66 # GLN 200 4KB6 -14.66 -33.36 -10.89 # A N 68 # ASN 202 4KB6 -24.63 -36.29 -23.72 # A R 209 # ARG 353 4KB6 -14.66 -30.71 -20.54 # A S 213 # SER 357 4KB6 -12.74 -26.21 -22.08 # A E 216 # GLU 360 4KB6 -18.28 -17.64 -10.34 # A K 247 # LYS 391 4KB6 -21.52 -22.36 -12.51 # A S 268 # SER 412 4KB6 -21.5 -23.76 -16.06 # A Y 269 # TYR 413 4KB6 -18.3 -20.36 -17.63 # A K 272 # LYS 416 4HUT -26.57 -15.04 17.31 # A N 32 # ASN 37 4HUT -28.52 -12.67 19.52 # A G 33 # GLY 38 4HUT -28.32 -8.82 19.33 # A K 34 # LYS 39 4HUT -25.99 -7.2 21.88 # A G 35 # GLY 40 4HUT -22.38 -8.13 21.02 # A K 36 # LYS 41 4HUT -21.14 -4.93 19.4 # A T 37 # THR 42 4HUT -23.32 -2.79 21.65 # A T 38 # THR 43 4HUT -17.78 2.81 30.75 # A R 46 # ARG 51 4HUT -16.53 -8.53 14.14 # A E 123 # GLU 128 4HUT -20.78 -14.84 15.68 # A R 156 # ARG 161 4HUT -35.78 -10.73 17.79 # A H 177 # HIS 182 4HUT -36.69 -8.68 12.92 # A F 179 # PHE 184 4HUT -29.71 -1.47 15.06 # A D 190 # ASP 195 3QUO 27.82 16.29 9.34 # A K 21 # LYS 9 3QUO 26.96 10.59 6.61 # A G 23 # GLY 11 3QUO 24.31 8.92 4.59 # A G 24 # GLY 12 3QUO 25.93 5.55 5.31 # A S 25 # SER 13 3QUO 22.06 3.97 -1.08 # A K 30 # LYS 18 3QUO 22.58 9.15 -4.78 # A H 70 # HIS 58 3QUO 31.07 8.34 8.87 # A T 182 # THR 170 3QUO 31.25 4.58 8.87 # A D 183 # ASP 171 3QUO 34.98 4.34 9.55 # A V 184 # VAL 172 3QUO 39.13 8.05 10.45 # A G 186 # GLY 174 3QUO 41.66 7.87 7.57 # A I 187 # ILE 175 3QUO 43.12 4.36 7.55 # A V 188 # VAL 176 3QUO 46.4 6.62 2.36 # A A 207 # ALA 200 3QUO 43.28 6.84 0.34 # A L 208 # LEU 201 3QUO 42.32 2.1 0.34 # A S 211 # SER 204 3QUO 40.5 3.75 -2.72 # A S 212 # SER 205 3QUO 33.7 9.8 -0.69 # A A 213 # ALA 212 3QUO 36.73 10.03 1.56 # A M 214 # MET 213 3QUO 35.86 14.7 2.86 # A K 217 # LYS 216 3WHL -47.93 73.81 24.87 # B Q 79 # GLN 98 4FF3 4.93 -31.86 375.75 # A R 419 # ARG 424 4FF3 7.28 -30.81 360.38 # A D 554 # ASP 559 4FF3 6.06 -27.45 361.61 # A G 555 # GLY 560 4FF3 7.31 -24.52 359.57 # A V 556 # VAL 561 4FF3 8.84 -22.03 362.03 # A T 557 # THR 562 4FF3 6.33 -23.55 364.45 # A N 558 # ASN 563 4FF3 6.8 -21.66 367.73 # A G 559 # GLY 564 4FF3 6.78 -18.15 366.21 # A P 560 # PRO 565 4FF3 13.39 -16.49 359.49 # A Y 607 # TYR 612 4FF3 17.7 -17.64 357.38 # A R 661 # ARG 666 4FF3 16.27 -19.08 363.52 # A K 665 # LYS 670 4FF3 17.36 -19.29 367.15 # A N 666 # ASN 671 4FF3 12.5 -17.97 368.61 # A T 669 # THR 674 4FF3 10.26 -16.47 374.5 # A Y 673 # TYR 678 4FF3 6.5 -30.12 366.45 # A D 946 # ASP 951 4EJ7 71.45 24.84 58.41 # A D 30 # ASP 31 4EJ7 69.24 30.02 59.69 # A V 32 # VAL 33 4EJ7 70.03 31.11 56.13 # A G 33 # GLY 34 4EJ7 67.22 32.54 53.99 # A Q 34 # GLN 35 4EJ7 69.05 33.31 50.74 # A S 35 # SER 36 4EJ7 73.92 24.99 53.64 # A I 39 # ILE 40 4EJ7 80.49 24.41 55.95 # A F 52 # PHE 53 4EJ7 77.16 26.29 50.72 # A K 54 # LYS 55 4EJ7 86.58 31.24 56.77 # A P 79 # PRO 82 4EJ7 84.89 26.5 53.85 # A T 95 # THR 98 4EJ7 86.19 26.12 57.41 # A T 96 # THR 99 4EJ7 83.64 26.6 60.18 # A A 97 # ALA 100 4EJ7 84.17 29.59 62.44 # A I 98 # ILE 101 4EJ7 74.05 36.84 62.0 # A D 197 # ASP 202 4EJ7 77.2 37.38 59.92 # A N 198 # ASN 203 4EJ7 80.72 35.34 65.06 # A I 200 # ILE 205 4EJ7 80.98 35.29 56.98 # A I 210 # ILE 215 4EJ7 78.54 35.82 54.09 # A D 211 # ASP 216 3ULE 20.27 16.99 45.66 # A G 12 # GLY 13 3ULE 19.71 13.26 45.29 # A T 13 # THR 14 3ULE 23.42 12.74 45.68 # A G 14 # GLY 15 3ULE 24.97 16.02 46.79 # A Y 15 # TYR 16 3ULE 25.28 22.56 47.92 # A K 17 # LYS 18 3ULE 18.79 19.14 34.7 # A D 157 # ASP 169 3ULE 22.46 15.25 38.32 # A G 159 # GLY 171 3ULE 22.48 11.98 40.21 # A D 160 # ASP 172 3ULE 18.91 10.79 40.37 # A G 161 # GLY 173 3ULE 25.21 10.45 36.7 # A G 185 # GLY 197 3ULE 32.97 7.6 39.0 # A K 213 # LYS 225 3ULE 33.84 9.35 34.32 # A K 216 # LYS 228 3ULE 34.67 12.8 35.71 # A E 217 # GLU 229 3ULE 23.85 19.68 36.92 # A G 311 # GLY 323 3ULE 27.03 17.68 37.13 # A G 312 # GLY 324 3ULE 25.85 15.14 34.58 # A S 313 # SER 325 3ULE 29.38 18.6 32.33 # A M 315 # MET 327 3ULE 30.6 16.02 29.78 # A F 316 # PHE 328 3ULE 27.88 22.25 37.48 # A R 358 # ARG 374 1MIW 3.13 24.05 35.62 # A G 25 # GLY 26 1MIW 5.18 23.53 32.46 # A G 26 # GLY 27 1MIW 2.93 19.82 30.38 # A R 29 # ARG 30 1MIW -6.43 31.0 37.29 # A R 99 # ARG 110 1MIW -3.61 29.8 35.03 # A R 100 # ARG 111 1MIW -3.09 30.94 31.42 # A D 101 # ASP 112 1MIW -0.31 24.88 31.59 # A N 104 # ASN 116 1MIW -3.27 40.33 32.36 # A D 141 # ASP 154 1MIW -0.8 36.38 28.54 # A R 144 # ARG 157 1MIW 3.09 34.1 26.21 # A R 145 # ARG 160 1MIW 6.05 32.62 22.47 # A R 148 # ARG 163 1MIW 4.56 29.22 23.34 # A F 149 # PHE 164 1MIW 8.47 27.1 21.84 # A E 152 # GLU 167 3NEM 35.5 35.6 32.17 # B R 214 # ARG 214 3NEM 34.57 41.07 33.14 # B E 216 # GLU 216 3NEM 27.08 39.57 31.76 # B H 223 # HIS 223 3NEM 28.26 37.16 34.46 # B L 224 # LEU 224 3NEM 28.28 31.38 32.62 # B A 227 # ALA 227 3NEM 23.34 38.85 21.46 # B E 361 # GLU 361 3NEM 22.73 35.22 22.46 # B I 362 # ILE 362 3NEM 25.24 33.57 20.13 # B S 363 # SER 363 3NEM 28.19 34.28 17.88 # B S 364 # SER 364 3NEM 28.85 29.57 21.12 # B G 407 # GLY 407 3NEM 25.08 31.49 26.03 # B G 409 # GLY 409 3NEM 21.59 34.8 27.58 # B R 412 # ARG 412 3NEM 20.82 37.83 33.73 # B I 423 # ILE 423 3RRF -12.84 -54.27 -12.05 # A G 50 # GLY 50 3RRF -9.65 -52.63 -10.92 # A N 51 # ASN 51 3RRF -11.04 -49.14 -11.41 # A N 52 # ASN 52 3RRF -14.62 -48.13 -15.85 # A F 117 # PHE 117 3RRF -10.97 -47.28 -16.36 # A G 118 # GLY 118 3RRF -8.77 -48.45 -19.2 # A T 119 # THR 119 3RRF -10.66 -51.79 -19.28 # A G 120 # GLY 120 3RRF -13.7 -50.31 -21.03 # A L 121 # LEU 121 3RRF -14.62 -52.52 -24.0 # A R 122 # ARG 122 3RRF -17.43 -51.42 -26.33 # A G 123 # GLY 123 3RRF -20.37 -49.05 -26.1 # A E 124 # GLU 124 3RRF -24.34 -48.14 -16.81 # A Y 129 # TYR 129 3RRF -8.06 -42.93 -13.96 # A D 147 # ASP 147 3RRF -5.22 -29.43 -40.88 # A H 366 # HIS 366 3RRF -3.16 -29.41 -36.58 # A K 402 # LYS 402 3RRF -6.25 -29.37 -34.37 # A S 403 # SER 403 3RRF -7.14 -28.26 -30.87 # A A 404 # ALA 404 3RRF -1.9 -31.0 -32.38 # A T 406 # THR 406 3RRF -7.5 -21.72 -27.57 # A N 421 # ASN 421 3RRF -10.29 -20.99 -30.06 # A T 422 # THR 422 3RRF -6.55 -19.69 -33.39 # A L 424 # LEU 424 3RRF -9.67 -21.09 -35.16 # A S 425 # SER 425 3RRF -9.44 -18.27 -37.71 # A K 426 # LYS 426 3RRF -7.72 -17.65 -41.04 # A G 427 # GLY 427 3RRF -4.06 -16.67 -40.78 # A G 428 # GLY 428 3RRF -3.18 -18.76 -37.7 # A S 429 # SER 429 3RRF -1.71 -21.56 -39.72 # A G 430 # GLY 430 3RRF 0.33 -19.18 -41.83 # A D 431 # ASP 431 3RRF 2.89 -21.36 -37.44 # A L 433 # LEU 433 3RRF 2.02 -20.67 -31.08 # A H 458 # HIS 458 2ZT7 41.51 -21.38 69.56 # A R 96 # ARG 159 2ZT7 35.08 -9.5 69.81 # A R 214 # ARG 277 2ZT7 37.54 -13.71 67.79 # A E 216 # GLU 279 2ZT7 27.57 -18.31 65.75 # A I 224 # ILE 287 2ZT7 31.03 -16.72 65.84 # A R 225 # ARG 288 2ZT7 31.28 -13.15 64.61 # A V 226 # VAL 289 2ZT7 27.25 -8.35 66.75 # A F 229 # PHE 292 2ZT7 33.52 -10.5 86.88 # A Y 323 # TYR 386 2ZT7 25.4 -20.44 74.68 # A E 340 # GLU 403 2ZT7 22.94 -17.94 73.23 # A I 341 # ILE 404 2ZT7 22.04 -16.12 76.46 # A V 342 # VAL 405 2ZT7 24.3 -15.71 79.48 # A G 343 # GLY 406 2ZT7 23.07 -11.04 78.28 # A S 381 # SER 524 2ZT7 23.28 -12.43 71.73 # A G 383 # GLY 526 2ZT7 22.99 -16.52 67.89 # A R 386 # ARG 529 4BTJ 35.23 43.78 -2.76 # B I 20 # ILE 64 4BTJ 31.7 42.81 -1.62 # B G 21 # GLY 65 4BTJ 29.41 42.26 1.32 # B G 22 # GLY 66 4BTJ 26.01 43.1 2.74 # B G 23 # GLY 67 4BTJ 34.68 40.8 2.04 # B I 28 # ILE 72 4BTJ 40.49 37.69 0.01 # B A 41 # ALA 85 4BTJ 36.02 37.7 4.75 # B K 43 # LYS 87 4BTJ 39.8 28.66 -2.76 # B C 71 # CYS 115 4BTJ 41.51 32.61 1.44 # B M 87 # MET 131 4BTJ 42.86 32.71 -2.13 # B Q 88 # GLN 132 4BTJ 41.7 35.79 -4.09 # B L 89 # LEU 133 4BTJ 39.85 35.1 -7.37 # B Q 90 # GLN 134 4BTJ 32.28 36.67 -10.45 # B N 93 # ASN 137 4BTJ 27.9 35.96 -7.88 # B S 138 # SER 182 4BTJ 28.98 32.91 -5.75 # B N 139 # ASN 183 4BTJ 32.44 30.85 -3.1 # B L 155 # LEU 199 4BTJ 30.48 31.62 0.09 # B D 156 # ASP 200 3IE7 26.02 6.82 13.84 # A K 183 # LYS 185 3IE7 22.54 11.89 12.37 # A N 185 # ASN 187 3IE7 26.43 12.22 10.24 # A S 217 # SER 219 3IE7 25.56 15.66 8.89 # A L 218 # LEU 220 3IE7 23.74 14.95 5.64 # A G 219 # GLY 221 3IE7 25.11 16.89 2.68 # A A 220 # ALA 222 3IE7 29.31 14.88 5.35 # A G 222 # GLY 224 3IE7 31.67 14.49 0.32 # A P 236 # PRO 238 3IE7 26.32 15.35 -6.13 # A V 239 # VAL 241 3IE7 20.55 14.76 -4.89 # A E 241 # GLU 243 3IE7 18.6 11.08 0.49 # A D 244 # ASP 246 3IE7 18.59 5.55 3.18 # A G 246 # GLY 248 3IE7 21.86 7.47 2.86 # A A 247 # ALA 249 3IE7 22.57 6.61 6.49 # A G 248 # GLY 250 3IE7 21.9 2.89 6.04 # A D 249 # ASP 251 3IE7 26.19 7.14 0.57 # A S 274 # SER 278 3IE7 21.52 10.1 -2.65 # A V 278 # VAL 282 1YP3 1.34 -7.43 60.44 # C L 17 # LEU 26 1YP3 1.01 -5.86 63.89 # C G 18 # GLY 27 1YP3 -2.74 -5.56 63.78 # C G 19 # GLY 28 1YP3 -5.87 -3.78 62.73 # C G 20 # GLY 29 1YP3 -1.37 -4.2 69.05 # C K 34 # LYS 43 1YP3 2.35 -2.68 59.59 # C L 64 # LEU 73 1YP3 -8.69 -2.6 56.96 # C Q 102 # GLN 118 1YP3 -7.48 -6.03 55.86 # C G 103 # GLY 119 1YP3 -4.07 -7.67 55.82 # C T 104 # THR 120 1YP3 -2.55 -3.16 54.43 # C A 107 # ALA 123 1YP3 1.74 -12.15 61.54 # C A 127 # ALA 143 1YP3 2.42 -10.16 64.71 # C G 128 # GLY 144 1YP3 0.53 -11.94 67.49 # C D 129 # ASP 145 1YP3 1.84 -15.52 67.55 # C H 130 # HIS 146 1YP3 0.46 -16.57 58.79 # C G 215 # GLY 231 1YP3 -7.58 -10.78 53.29 # C D 237 # ASP 253 1YP3 -4.04 -11.72 52.37 # C F 238 # PHE 254 1YP3 -4.09 -15.25 53.78 # C G 239 # GLY 255 1YP3 -7.65 -16.53 53.33 # C S 240 # SER 256 4FO0 -38.1 12.94 -16.69 # A G 23 # GLY 54 4FO0 -37.99 13.12 -12.9 # A S 24 # SER 55 4FO0 -40.35 16.1 -13.03 # A T 25 # THR 56 4FO0 -41.61 16.44 -16.59 # A T 26 # THR 57 4FO0 -42.38 15.1 -22.68 # A R 28 # ARG 59 4FO0 -32.46 18.3 -15.43 # A G 254 # GLY 285 4FO0 -34.45 18.96 -12.33 # A D 255 # ASP 286 4FO0 -32.74 16.21 -10.37 # A Q 256 # GLN 287 4FO0 -29.97 14.55 -12.37 # A K 257 # LYS 288 4FO0 -32.41 22.35 -10.85 # A G 280 # GLY 311 4FO0 -34.29 21.3 -7.74 # A S 281 # SER 312 4FO0 -38.87 26.72 -8.57 # A Q 313 # GLN 344 4FO0 -35.31 30.62 -8.89 # A K 316 # LYS 347 4FO0 -36.26 30.84 -12.57 # A E 317 # GLU 348 4FO0 -32.43 20.4 -20.33 # A G 417 # GLY 539 4FO0 -33.93 23.01 -18.03 # A G 418 # GLY 540 4FO0 -31.52 22.92 -15.12 # A G 419 # GLY 541 4FO0 -31.42 27.86 -18.1 # A M 421 # MET 543 4FO0 -29.94 30.85 -16.27 # A F 422 # PHE 544 4FO0 -35.76 21.26 -22.52 # A R 460 # ARG 582 1A49 41.04 238.84 56.37 # E T 38 # THR 3049 1A49 38.81 248.27 57.29 # E P 41 # PRO 3052 1A49 39.93 236.04 59.48 # E R 61 # ARG 3072 1A49 43.99 239.43 62.69 # E N 63 # ASN 3074 1A49 45.88 244.69 64.47 # E H 66 # HIS 3077 1A49 37.18 246.43 66.79 # E Y 71 # TYR 3082 1A49 37.26 242.57 66.21 # E H 72 # HIS 3083 1A49 55.31 244.86 66.15 # E R 108 # ARG 3119 1A49 53.75 246.35 61.24 # E K 195 # LYS 3206 1A49 56.67 236.24 57.54 # E D 284 # ASP 3295 1A49 45.14 239.22 53.46 # E S 350 # SER 3361 1A49 45.76 242.91 52.53 # E G 351 # GLY 3362 1A49 41.44 243.75 54.78 # E A 354 # ALA 3365 1A49 42.78 247.06 53.39 # E K 355 # LYS 3366 4C69 12.25 33.95 24.12 # X K 12 # LYS 12 4C69 8.72 40.33 15.62 # X K 20 # LYS 20 1HI1 -46.59 -3.72 4.84 # C Q 206 # GLN 206 1HI1 -46.67 -9.04 5.55 # C R 268 # ARG 268 1HI1 -41.63 -7.07 1.56 # C R 270 # ARG 270 1HI1 -45.73 -7.48 -8.79 # C D 327 # ASP 327 3SL2 -15.73 13.63 -4.53 # A N 52 # ASN 503 3SL2 -12.57 10.51 -6.68 # A K 55 # LYS 506 3SL2 -10.69 10.75 -3.38 # A Y 56 # TYR 507 3SL2 -15.57 8.07 2.89 # A D 82 # ASP 533 3SL2 -9.09 13.3 3.99 # A G 86 # GLY 537 3SL2 -8.59 17.05 4.21 # A I 87 # ILE 538 3SL2 -13.45 23.39 0.73 # A V 95 # VAL 546 3SL2 -10.93 26.29 -3.8 # A Y 100 # TYR 551 3SL2 -8.91 23.07 -4.18 # A R 101 # ARG 552 3SL2 -6.55 21.6 -1.54 # A V 102 # VAL 553 3SL2 -12.4 23.66 -11.29 # A T 107 # THR 564 3SL2 -13.18 23.55 -7.55 # A G 108 # GLY 565 3SL2 -16.88 24.37 -7.85 # A L 109 # LEU 566 3SL2 -18.56 21.01 -6.95 # A G 110 # GLY 567 3SL2 -18.86 21.84 -3.28 # A L 111 # LEU 568 3SL2 -14.14 12.74 5.15 # A T 135 # THR 592 1UF9 -33.24 93.47 37.52 # C N 11 # ASN 16 1UF9 -31.84 95.91 34.93 # C I 12 # ILE 17 1UF9 -31.01 94.4 31.56 # C G 13 # GLY 18 1UF9 -32.04 91.02 32.88 # C S 14 # SER 19 1UF9 -33.96 90.55 29.66 # C G 15 # GLY 20 1UF9 -37.34 89.73 31.15 # C K 16 # LYS 21 1UF9 -38.89 91.77 28.27 # C S 17 # SER 22 1UF9 -37.48 89.18 25.89 # C T 18 # THR 23 1UF9 -27.05 94.61 27.46 # C R 135 # ARG 141 1UF9 -30.42 98.53 24.0 # C R 138 # ARG 145 1UF9 -29.27 83.81 30.21 # C N 168 # ASN 176 1UF9 -26.74 83.37 27.4 # C T 169 # THR 177 1FMW 42.31 45.32 15.76 # A I 114 # ILE 115 1FMW 40.9 50.09 20.48 # A N 126 # ASN 127 1FMW 44.66 49.74 20.11 # A P 127 # PRO 128 1FMW 45.43 52.65 22.28 # A F 128 # PHE 129 1FMW 48.45 53.45 20.16 # A K 129 # LYS 130 1FMW 44.94 54.51 7.4 # A Y 134 # TYR 135 1FMW 31.4 52.51 25.01 # A E 179 # GLU 180 1FMW 32.98 55.86 25.55 # A S 180 # SER 181 1FMW 36.55 55.76 24.43 # A G 181 # GLY 182 1FMW 36.05 52.54 22.43 # A A 182 # ALA 183 1FMW 36.96 54.3 19.17 # A G 183 # GLY 184 1FMW 33.7 55.17 17.42 # A K 184 # LYS 185 1FMW 34.58 58.6 16.24 # A T 185 # THR 186 1FMW 37.9 57.38 15.09 # A E 186 # GLU 187 1FMW 38.38 59.82 27.03 # A N 226 # ASN 233 1FMW 34.77 62.44 24.18 # A S 229 # SER 236 1FMW 31.81 63.23 21.95 # A S 230 # SER 237 3DKC 16.63 39.65 21.85 # A I 34 # ILE 1084 3DKC 13.46 37.58 22.24 # A G 35 # GLY 1085 3DKC 10.78 31.41 23.19 # A G 37 # GLY 1087 3DKC 9.33 28.25 24.64 # A H 38 # HIS 1088 3DKC 11.36 28.1 27.84 # A F 39 # PHE 1089 3DKC 13.4 31.24 28.31 # A G 40 # GLY 1090 3DKC 17.43 35.9 25.63 # A V 42 # VAL 1092 3DKC 23.74 36.3 24.34 # A A 58 # ALA 1108 3DKC 19.42 33.08 28.13 # A K 60 # LYS 1110 3DKC 26.27 31.83 24.6 # A L 107 # LEU 1157 3DKC 28.36 33.34 21.8 # A P 108 # PRO 1158 3DKC 26.36 36.08 20.09 # A Y 109 # TYR 1159 3DKC 25.23 34.84 16.69 # A M 110 # MET 1160 3DKC 13.95 20.89 20.58 # A D 154 # ASP 1204 3DKC 14.72 28.32 14.67 # A R 158 # ARG 1208 3DKC 17.38 26.56 16.8 # A N 159 # ASN 1209 3DKC 21.97 29.81 14.43 # A M 161 # MET 1211 3DKC 19.39 24.91 22.61 # A D 172 # ASP 1222 1Z0S 14.3 -22.13 4.44 # D G 50 # GLY 50 1Z0S 11.76 -24.3 7.98 # D L 53 # LEU 53 1Z0S 12.52 -27.68 6.35 # D R 54 # ARG 54 1Z0S 5.63 -18.85 9.37 # D N 115 # ASN 115 1Z0S 2.25 -19.36 7.74 # D E 116 # GLU 116 1Z0S -3.63 -16.53 -12.44 # D A 125 # ALA 125 1Z0S -7.14 -17.53 -11.36 # D K 126 # LYS 126 1Z0S -8.76 -16.17 -8.27 # D M 127 # MET 127 1Z0S -11.79 -12.77 -4.2 # D R 143 # ARG 143 1Z0S -5.03 -15.17 -5.57 # D D 145 # ASP 145 1Z0S 7.7 -13.72 5.05 # D G 157 # GLY 157 1Z0S 4.77 -14.29 2.7 # D Y 158 # TYR 158 1Z0S 5.3 -9.69 0.5 # D S 161 # SER 161 1Z0S -3.66 -9.85 -4.71 # D A 180 # ALA 180 1Z0S -9.64 -7.99 -6.18 # D F 182 # PHE 182 1Z0S 5.73 -22.74 5.34 # D D 209 # ASP 209 1Z0S 6.2 -22.97 1.56 # D G 210 # GLY 210 1Z0S 7.21 -26.63 1.99 # D Q 211 # GLN 211 3FKQ -4.2 55.3 25.45 # A G 132 # GLY 134 3FKQ -1.67 52.46 25.95 # A G 133 # GLY 135 3FKQ -2.15 50.89 22.53 # A V 134 # VAL 136 3FKQ 1.59 50.98 21.99 # A G 135 # GLY 137 3FKQ 2.0 54.17 19.99 # A T 136 # THR 138 3FKQ 5.39 55.09 21.5 # A S 137 # SER 139 3FKQ 6.72 51.5 21.19 # A T 138 # THR 140 3FKQ 5.47 63.44 25.67 # A E 159 # GLU 162 3FKQ -0.91 46.99 17.43 # A N 299 # ASN 307 3FKQ -1.74 44.51 20.22 # A K 300 # LYS 308 3FKQ -0.41 41.08 17.74 # A P 320 # PRO 329 3FKQ -0.27 41.32 21.5 # A R 321 # ARG 330 3FKQ 2.95 39.56 22.53 # A Y 322 # TYR 331 3FKQ 8.38 43.58 21.7 # A I 330 # ILE 339 4WAE 16.75 34.39 0.59 # A I 227 # ILE 562 4WAE 19.46 35.77 -10.45 # A Y 263 # TYR 598 4WAE 16.32 36.86 -3.86 # A I 275 # ILE 610 4WAE 19.73 32.25 -4.53 # A P 277 # PRO 612 4WAE 22.53 30.9 -6.68 # A V 278 # VAL 613 4WAE 25.15 41.89 -4.02 # A D 354 # ASP 689 4O5F -2.27 23.06 24.1 # A G 11 # GLY 11 4O5F -4.59 20.39 22.8 # A N 12 # ASN 12 4O5F -1.76 17.95 22.02 # A S 13 # SER 13 4O5F 0.92 18.67 24.63 # A R 14 # ARG 14 4O5F 5.08 22.77 27.25 # A K 16 # LYS 16 4O5F 0.22 22.45 16.4 # A G 125 # GLY 125 4O5F -3.07 20.56 16.64 # A T 126 # THR 126 3C9R 14.19 43.62 132.51 # A F 13 # PHE 9 3C9R 15.03 47.92 134.68 # A I 16 # ILE 12 3C9R 15.79 50.98 138.5 # A I 19 # ILE 15 3C9R 9.59 54.53 132.53 # A I 28 # ILE 24 3C9R 8.16 51.59 130.59 # A G 29 # GLY 25 3C9R 7.71 52.48 126.91 # A D 30 # ASP 26 3C9R 9.93 53.01 123.85 # A D 31 # ASP 27 3C9R 19.57 53.52 122.08 # A D 47 # ASP 43 3C9R 11.13 54.34 118.96 # A D 75 # ASP 71 3C9R 25.45 61.6 119.73 # A I 88 # ILE 84 3C9R 28.49 61.46 110.31 # A Y 105 # TYR 101 3C9R 25.54 68.17 119.74 # A G 121 # GLY 117 3C9R 27.22 65.23 121.46 # A G 122 # GLY 118 3C9R 30.34 63.95 123.21 # A N 123 # ASN 119 3C9R 33.72 62.3 122.68 # A I 124 # ILE 120 3C9R 2.08 50.13 125.36 # A R 146 # ARG 142 3C9R 8.45 49.07 117.42 # A D 211 # ASP 207 3C9R 13.31 45.58 118.1 # A S 213 # SER 209 3C9R 13.76 42.19 119.78 # A D 214 # ASP 210 2FSG 44.3 15.19 6.47 # B R 66 # ARG 82 2FSG 45.22 11.61 6.06 # B H 67 # HIS 83 2FSG 48.85 11.08 5.18 # B F 68 # PHE 84 2FSG 47.48 6.2 5.85 # B Q 71 # GLN 87 2FSG 53.0 3.13 16.94 # B T 86 # THR 104 2FSG 52.4 6.81 16.25 # B G 87 # GLY 105 2FSG 51.42 6.34 12.58 # B E 88 # GLU 106 2FSG 47.77 7.06 13.16 # B G 89 # GLY 107 2FSG 45.82 3.78 13.18 # B K 90 # LYS 108 2FSG 42.65 5.28 14.41 # B T 91 # THR 109 2FSG 42.39 7.9 11.55 # B L 92 # LEU 110 2FSG 52.26 0.79 22.6 # B R 402 # ARG 509 1OBD 10.3 26.7 -3.66 # A G 17 # GLY 18 1OBD 8.69 29.03 -6.2 # A K 18 # LYS 19 1OBD 10.98 30.85 -0.67 # A R 20 # ARG 21 1OBD 14.67 27.37 3.16 # A I 22 # ILE 23 1OBD 14.85 26.33 9.89 # A L 30 # LEU 31 1OBD 12.38 30.61 5.78 # A F 32 # PHE 33 1OBD 6.07 27.23 14.28 # A H 74 # HIS 75 1OBD 10.88 25.26 14.68 # A H 109 # HIS 110 1OBD 11.16 22.05 12.7 # A K 110 # LYS 111 1OBD 8.06 20.12 13.19 # A H 111 # HIS 112 1OBD 4.43 17.79 9.28 # A L 113 # LEU 114 1OBD -0.13 23.18 6.23 # A E 213 # GLU 219 1OBD 3.26 25.94 9.86 # A V 226 # VAL 232 1OBD 4.23 27.01 6.34 # A D 227 # ASP 233 1ZAO 55.12 26.91 23.45 # A M 98 # MET 98 1ZAO 47.55 15.55 25.03 # A E 103 # GLU 103 1ZAO 49.97 17.47 22.77 # A S 104 # SER 104 1ZAO 52.8 22.73 20.6 # A V 106 # VAL 106 1ZAO 52.65 26.65 15.24 # A V 118 # VAL 118 1ZAO 51.08 20.79 17.2 # A K 120 # LYS 120 1ZAO 49.44 14.89 18.89 # A H 122 # HIS 122 1ZAO 40.61 10.93 20.43 # A H 126 # HIS 126 1ZAO 43.35 29.1 12.64 # A P 156 # PRO 167 1ZAO 48.6 26.03 11.41 # A M 168 # MET 179 1ZAO 48.41 29.8 12.03 # A E 169 # GLU 180 1ZAO 49.74 31.24 15.31 # A L 170 # LEU 181 1ZAO 46.87 32.95 17.08 # A I 171 # ILE 182 1ZAO 42.6 30.96 26.54 # A E 175 # GLU 186 1ZAO 40.39 26.06 27.39 # A Y 211 # TYR 222 1ZAO 39.66 25.72 23.65 # A N 212 # ASN 223 1ZAO 40.83 25.73 18.46 # A I 223 # ILE 234 1ZAO 41.5 22.03 19.1 # A D 224 # ASP 235 1ZAO 41.04 16.14 16.89 # A P 226 # PRO 237 2C8V 22.84 12.45 -5.67 # A K 10 # LYS 10 2C8V 25.53 10.89 -3.47 # A G 11 # GLY 11 2C8V 28.45 13.15 -2.48 # A G 12 # GLY 12 2C8V 27.01 16.38 -4.14 # A I 13 # ILE 13 2C8V 26.51 18.33 -0.9 # A G 14 # GLY 14 2C8V 23.05 17.6 0.6 # A K 15 # LYS 15 2C8V 24.15 17.54 4.27 # A S 16 # SER 16 2C8V 26.44 20.66 3.98 # A T 17 # THR 17 2C8V 20.78 8.59 6.58 # A D 39 # ASP 39 2C8V 25.41 7.2 8.94 # A K 41 # LYS 41 2C8V 26.1 23.2 -5.74 # A N 184 # ASN 185 2C8V 26.01 27.85 -4.2 # A V 210 # VAL 211 2C8V 29.81 28.53 -4.87 # A P 211 # PRO 212 2C8V 32.55 26.05 -4.13 # A R 212 # ARG 213 2C8V 34.56 27.59 -1.35 # A D 213 # ASP 214 2C8V 33.28 25.0 3.93 # A V 216 # VAL 217 2C8V 36.08 22.57 4.67 # A Q 217 # GLN 218 2C8V 33.54 21.52 9.12 # A E 220 # GLU 221 2C8V 29.87 31.98 1.3 # A Q 235 # GLN 236 2C8V 23.54 30.4 2.29 # A Y 239 # TYR 240 4DQW -15.45 -21.89 18.39 # A V 94 # VAL 94 4DQW -16.39 -18.12 22.41 # A P 97 # PRO 97 4DQW -17.95 -16.66 25.54 # A V 98 # VAL 98 4DQW -18.23 -24.77 31.24 # A F 118 # PHE 118 4DQW -12.96 -21.69 30.59 # A G 120 # GLY 120 4DQW -7.45 -16.35 30.41 # A I 132 # ILE 132 4DQW -10.39 -21.44 34.02 # A T 134 # THR 134 4DQW -11.59 -23.86 36.73 # A G 135 # GLY 135 4DQW -8.17 -24.06 38.33 # A R 136 # ARG 136 4DQW -7.9 -20.29 38.66 # A D 137 # ASP 137 4DQW -3.3 -16.18 33.68 # A T 153 # THR 153 4DQW -0.68 -17.64 27.23 # A L 158 # LEU 158 4DQW -0.06 -20.25 24.56 # A V 159 # VAL 159 4DQW 0.07 -29.61 29.49 # A R 178 # ARG 178 4DQW -2.99 -27.32 29.01 # A I 179 # ILE 179 4DQW -6.55 -27.85 27.68 # A E 180 # GLU 180 4DQW -7.36 -24.62 25.75 # A K 181 # LYS 181 4DQW -10.97 -20.87 21.03 # A L 194 # LEU 194 4DQW -10.14 -27.17 23.02 # A T 196 # THR 196 4DQW -11.55 -32.21 23.82 # A R 198 # ARG 198 4DQW -12.7 -30.7 20.48 # A D 199 # ASP 199 2P09 3.26 38.05 23.61 # A D 28 # ASP 32 2P09 1.89 31.89 27.11 # A K 30 # LYS 34 2P09 2.51 25.68 27.61 # A K 32 # LYS 36 2P09 6.3 30.06 24.8 # A R 37 # ARG 41 2P09 5.97 34.52 20.51 # A Y 39 # TYR 43 2P09 7.91 36.62 18.06 # A N 40 # ASN 44 2P09 5.56 39.7 18.13 # A M 41 # MET 45 2P09 3.59 41.69 20.69 # A C 42 # CYS 46 2P09 0.45 39.88 15.64 # A F 46 # PHE 50 2P09 7.04 37.24 11.55 # A Y 57 # TYR 61 2P09 4.8 34.44 12.86 # A H 58 # HIS 62 2P09 6.57 32.03 15.18 # A G 59 # GLY 63 2P09 7.74 31.47 18.75 # A H 60 # HIS 64 2B6F 4.86 -1.9 25.88 # A K 45 # LYS 61 2B6F 1.94 2.18 24.45 # A S 48 # SER 64 2B6F 3.05 2.0 20.8 # A L 49 # LEU 65 2B6F -1.63 4.13 21.28 # A D 51 # ASP 67 2B6F 0.92 6.4 19.56 # A T 52 # THR 68 2B6F 5.44 11.14 15.94 # A S 59 # SER 75 2B6F 6.45 7.54 15.0 # A V 60 # VAL 76 2B6F 9.75 7.31 12.99 # A P 61 # PRO 77 2B6F 12.92 1.44 11.54 # A I 63 # ILE 79 2B6F 15.11 -4.65 15.7 # A G 81 # GLY 97 2B6F 11.81 -2.7 15.98 # A G 82 # GLY 98 2B6F 10.41 -6.06 17.2 # A C 83 # CYS 99 2B6F 7.83 -4.39 19.46 # A H 84 # HIS 100 2B6F 7.15 -1.82 16.71 # A R 85 # ARG 101 3AMT 9.37 90.56 74.96 # A D 8 # ASP 8 3AMT 11.35 93.68 74.0 # A D 9 # ASP 9 3AMT 14.41 96.5 78.19 # A D 11 # ASP 11 3AMT 15.81 93.36 82.11 # A C 16 # CYS 17 3AMT 15.59 83.28 69.78 # A L 42 # LEU 45 3AMT 18.43 89.63 64.98 # A I 46 # ILE 49 3AMT 16.78 94.5 67.03 # A Y 48 # TYR 51 3AMT 18.02 92.37 69.92 # A K 49 # LYS 52 3AMT 18.9 94.57 72.89 # A T 50 # THR 53 3AMT 21.65 92.15 73.94 # A R 51 # ARG 54 3AMT 20.66 88.49 73.62 # A G 52 # GLY 55 3AMT 17.2 88.27 72.08 # A N 53 # ASN 56 3AMT 15.58 86.49 74.98 # A G 54 # GLY 57 3AMT 11.55 82.97 65.2 # A A 108 # ALA 112 3AMT 14.9 82.2 60.79 # A D 111 # ASP 115 3AMT 10.08 86.98 60.89 # A L 113 # LEU 117 3AMT 7.99 94.14 67.65 # A R 136 # ARG 140 3AMT 7.67 92.35 70.95 # A G 137 # GLY 141 3AMT 7.18 88.29 67.85 # A I 139 # ILE 143 3AMT 9.21 87.11 70.81 # A G 140 # GLY 144 1KJ9 8.66 6.95 -10.14 # B R 113 # ARG 114 1KJ9 17.27 6.44 -19.5 # B S 129 # SER 130 1KJ9 13.62 -0.47 -8.91 # B K 154 # LYS 155 1KJ9 12.02 3.09 -3.46 # B S 158 # SER 159 1KJ9 14.91 5.24 -2.2 # B S 159 # SER 160 1KJ9 18.51 4.96 -1.03 # B S 160 # SER 161 1KJ9 18.64 2.1 -3.53 # B G 161 # GLY 162 1KJ9 17.02 -2.27 -6.31 # B Q 164 # GLN 165 1KJ9 15.61 1.15 -16.62 # B E 190 # GLU 195 1KJ9 18.24 1.03 -19.27 # B G 191 # GLY 196 1KJ9 23.2 5.04 -18.95 # B V 193 # VAL 198 1KJ9 27.68 8.69 -18.28 # B F 195 # PHE 200 1KJ9 26.7 12.28 -12.32 # B E 198 # GLU 203 1KJ9 27.8 6.68 -4.55 # B Q 220 # GLN 225 1KJ9 19.86 14.38 -10.44 # B E 262 # GLU 267 1KJ9 23.99 12.25 -15.86 # B F 264 # PHE 269 1KJ9 15.18 12.1 -10.98 # B E 274 # GLU 279 1BCP -14.48 10.59 -12.38 # F T 54 # THR 55 1BCP -14.29 16.02 -12.67 # F G 57 # GLY 58 1BCP -15.22 15.49 -16.31 # F F 58 # PHE 59 1BCP -14.01 20.39 -17.43 # F S 61 # SER 62 1BCP -12.33 20.53 -3.17 # B R 148 # ARG 150 1BCP -12.85 20.34 -6.94 # B K 149 # LYS 151 1BCP -16.77 9.07 -20.68 # E M 18 # MET 18 1BCP -6.42 8.88 -9.87 # E G 60 # GLY 60 1BCP -5.71 9.37 -13.55 # E S 61 # SER 61 1BCP -5.46 9.52 -18.96 # E E 65 # GLU 65 1BCP -6.13 15.22 -21.39 # E R 69 # ARG 69 1BCP -6.59 16.93 -26.36 # E F 72 # PHE 72 1BCP -9.34 18.8 -10.47 # A F 224 # PHE 235 3ETH -25.15 -11.45 76.58 # B R 80 # ARG 80 3ETH -36.12 -12.33 70.22 # B I 118 # ILE 118 3ETH -30.05 -14.53 71.0 # B K 120 # LYS 120 3ETH -23.3 -13.73 67.5 # B G 125 # GLY 125 3ETH -22.84 -11.03 64.85 # B Y 126 # TYR 126 3ETH -24.79 -9.62 61.91 # B D 127 # ASP 127 3ETH -27.88 -11.27 63.35 # B G 128 # GLY 128 3ETH -30.75 -14.63 66.48 # B Q 131 # GLN 131 3ETH -35.97 -10.74 75.07 # B E 153 # GLU 153 3ETH -38.95 -8.6 74.18 # B Q 154 # GLN 154 3ETH -39.22 -7.66 70.52 # B G 155 # GLY 155 3ETH -39.02 -3.9 70.65 # B I 156 # ILE 156 3ETH -38.47 0.98 67.85 # B F 158 # PHE 158 3ETH -31.7 2.74 65.92 # B E 161 # GLU 161 3ETH -29.9 -2.8 59.63 # B H 184 # HIS 184 3ETH -26.35 0.42 70.07 # B E 226 # GLU 226 3ETH -33.32 1.55 70.11 # B F 228 # PHE 228 3ETH -29.56 -3.08 72.53 # B N 237 # ASN 237 3ETH -25.94 -4.17 73.0 # B E 238 # GLU 238 1ESQ 25.66 -2.09 43.36 # C R 133 # ARG 121 1ESQ 27.01 4.92 43.53 # C N 135 # ASN 123 1ESQ 30.63 1.95 46.64 # C T 170 # THR 168 1ESQ 32.9 4.99 46.8 # C G 171 # GLY 169 1ESQ 35.9 6.23 48.79 # C E 172 # GLU 170 1ESQ 31.89 1.52 50.86 # C D 174 # ASP 172 1ESQ 40.05 -0.61 50.57 # C N 187 # ASN 185 1ESQ 40.81 0.35 46.98 # C G 188 # GLY 186 1ESQ 42.49 3.35 45.36 # C H 189 # HIS 187 1ESQ 41.42 6.7 43.88 # C K 190 # LYS 188 1ESQ 39.65 3.27 40.01 # C L 192 # LEU 190 1ESQ 37.78 6.49 39.29 # C T 193 # THR 191 1ESQ 32.35 -0.42 38.72 # C G 199 # GLY 197 1ESQ 33.14 -4.89 40.29 # C L 202 # LEU 200 1ESQ 38.72 -6.09 44.46 # C Y 227 # TYR 225 3SUC 39.26 -47.45 -9.56 # A W 659 # TRP 746 3SUC 38.06 -45.39 -12.53 # A Q 660 # GLN 747 3SUC 29.29 -52.73 -10.38 # A D 692 # ASP 779 3SUC 32.05 -51.54 -8.01 # A F 693 # PHE 780 3SUC 33.57 -54.32 -5.89 # A D 694 # ASP 781 3SUC 38.96 -56.12 -5.45 # A K 697 # LYS 784 3SUC 42.34 -54.74 -4.39 # A N 698 # ASN 785 3SUC 42.91 -51.58 -6.44 # A Y 699 # TYR 786 3SUC 46.15 -51.18 -8.39 # A I 700 # ILE 787 3SUC 47.2 -46.98 -13.65 # A R 702 # ARG 789 3SUC 50.02 -50.93 -14.45 # A R 705 # ARG 792 3SUC 49.05 -47.4 -19.06 # A W 708 # TRP 795 3OPY -12.87 43.5 119.49 # H D 340 # ASP 393 3OPY -14.1 47.12 119.4 # H Y 341 # TYR 394 3OPY -17.28 48.83 118.12 # H I 342 # ILE 395 3OPY -21.46 54.64 123.43 # H K 347 # LYS 400 3OPY -18.61 57.02 122.43 # H P 348 # PRO 401 3OPY -15.37 56.89 124.55 # H A 349 # ALA 402 3OPY -15.87 58.99 127.66 # H S 350 # SER 403 3OPY -13.2 58.25 130.35 # H S 351 # SER 404 3OPY -10.34 58.52 127.75 # H R 352 # ARG 405 3OPY -9.83 53.18 124.38 # H Q 357 # GLN 410 3OPY -9.07 46.93 124.16 # H I 361 # ILE 414 3OPY -21.41 42.92 124.89 # H F 500 # PHE 553 3OPY -19.09 44.97 127.09 # H I 501 # ILE 554 3OPY -15.7 41.61 125.63 # H N 504 # ASN 557 3OPY -14.07 42.24 129.07 # H S 505 # SER 558 1JI0 2.26 -11.14 69.09 # A Y 15 # TYR 15 1JI0 -3.09 -9.4 70.1 # A I 18 # ILE 18 1JI0 -3.13 -1.87 85.19 # A A 39 # ALA 39 1JI0 -2.2 -5.51 84.66 # A N 40 # ASN 40 1JI0 -2.25 -6.34 80.97 # A G 41 # GLY 41 1JI0 -1.64 -2.76 79.84 # A A 42 # ALA 42 1JI0 1.49 -3.83 77.98 # A G 43 # GLY 43 1JI0 4.2 -2.79 80.43 # A K 44 # LYS 44 1JI0 6.38 -5.93 80.25 # A T 45 # THR 45 1JI0 5.88 -6.09 76.5 # A T 46 # THR 46 1JI0 9.66 -9.94 86.89 # A E 86 # GLU 87 1JI0 9.82 -4.74 85.78 # A D 156 # ASP 163 1JI0 7.65 -4.51 88.9 # A E 157 # GLU 164 2QKM 5.99 -49.02 39.57 # B S 120 # SER 120 2QKM 3.16 -47.96 41.93 # B S 121 # SER 121 2QKM 3.32 -44.48 43.32 # B G 122 # GLY 122 2QKM -6.54 -38.93 32.92 # B R 167 # ARG 167 2QKM 0.12 -41.16 41.4 # B Y 220 # TYR 220 2E89 40.21 38.92 67.48 # A A 30 # ALA 30 2E89 40.11 42.63 68.26 # A F 31 # PHE 31 2E89 36.67 44.25 68.04 # A S 32 # SER 32 2E89 42.92 41.65 63.68 # A A 59 # ALA 59 2E89 39.8 43.74 63.28 # A H 60 # HIS 60 2E89 36.83 43.0 61.06 # A F 61 # PHE 61 2E89 30.41 35.1 62.31 # A R 110 # ARG 110 2E89 34.94 37.24 60.81 # A R 113 # ARG 113 2E89 39.27 35.94 71.62 # A T 131 # THR 131 2E89 37.69 38.08 74.35 # A A 132 # ALA 132 2E89 34.98 35.59 75.34 # A H 133 # HIS 133 2E89 21.41 35.83 73.48 # A R 201 # ARG 201 3AM1 9.74 34.59 58.88 # A L 10 # LEU 12 3AM1 9.61 36.63 62.12 # A P 11 # PRO 13 3AM1 8.34 40.17 61.66 # A G 12 # GLY 14 3AM1 5.95 39.09 58.94 # A V 13 # VAL 15 3AM1 2.93 39.17 61.27 # A G 14 # GLY 16 3AM1 1.84 35.6 61.99 # A K 15 # LYS 17 3AM1 0.45 36.2 65.46 # A S 16 # SER 18 3AM1 -1.56 39.26 64.55 # A T 17 # THR 19 3AM1 9.66 45.46 60.59 # A R 114 # ARG 116 3AM1 1.55 41.65 54.69 # A T 152 # THR 154 1MJH 16.36 -15.33 30.25 # B P 9 # PRO 1011 1MJH 15.5 -17.41 27.2 # B T 10 # THR 1012 1MJH 12.29 -18.94 25.87 # B D 11 # ASP 1013 1MJH 16.01 -14.81 22.21 # B A 16 # ALA 1018 1MJH 17.28 -18.87 32.89 # B L 37 # LEU 1039 1MJH 14.23 -20.62 31.43 # B H 38 # HIS 1040 1MJH 10.8 -20.31 33.01 # B V 39 # VAL 1041 1MJH 7.95 -15.83 33.44 # B P 90 # PRO 1108 1MJH 16.64 -10.32 26.51 # B M 108 # MET 1126 1MJH 14.72 -10.29 23.25 # B G 109 # GLY 1127 1MJH 9.72 -10.71 21.35 # B H 111 # HIS 1129 1MJH 9.52 -14.42 21.91 # B G 112 # GLY 1130 1MJH 7.58 -17.52 20.92 # B K 113 # LYS 1131 1MJH 4.38 -15.58 20.01 # B T 114 # THR 1132 1MJH 6.04 -12.87 17.94 # B N 115 # ASN 1133 1MJH 6.33 -8.72 24.05 # B G 122 # GLY 1140 1MJH 4.59 -8.78 27.44 # B S 123 # SER 1141 1MJH 7.46 -10.46 29.32 # B V 124 # VAL 1142 1MJH 9.94 -7.78 28.25 # B T 125 # THR 1143 3IBQ 17.49 27.44 12.82 # A N 135 # ASN 139 3IBQ 19.01 22.59 13.17 # A T 173 # THR 177 3IBQ 15.35 22.51 14.06 # A D 174 # ASP 178 3IBQ 13.12 16.87 14.95 # A I 181 # ILE 185 3IBQ 10.49 14.97 19.28 # A R 199 # ARG 203 3IBQ 9.7 15.11 22.97 # A L 200 # LEU 204 3IBQ 7.76 20.6 25.92 # A G 202 # GLY 206 3IBQ 13.65 23.55 26.97 # A Y 204 # TYR 208 3IBQ 19.98 25.58 26.29 # A G 206 # GLY 210 3IBQ 19.26 22.93 23.66 # A T 207 # THR 211 3IBQ 20.77 24.89 20.82 # A G 208 # GLY 212 3IBQ 23.87 20.95 20.31 # A L 211 # LEU 215 3IBQ 21.0 14.6 17.78 # A N 233 # ASN 237 3IBQ 20.41 16.05 22.72 # A L 236 # LEU 240 3IBQ 17.41 13.71 22.63 # A N 237 # ASN 241 2YCH 8.61 4.97 17.28 # A E 9 # GLU 19 2YCH 13.69 6.51 18.46 # A G 11 # GLY 21 2YCH 16.93 8.32 19.12 # A A 12 # ALA 22 2YCH 18.95 5.49 17.49 # A S 13 # SER 23 2YCH 16.33 3.99 15.03 # A A 14 # ALA 24 2YCH 10.82 2.04 13.58 # A K 16 # LYS 26 2YCH 6.95 4.53 25.69 # A K 157 # LYS 173 2YCH 17.0 2.73 24.98 # A G 183 # GLY 199 2YCH 19.59 4.88 23.28 # A A 184 # ALA 200 2YCH 18.44 8.06 25.04 # A E 185 # GLU 201 2YCH 16.91 6.79 28.38 # A S 186 # SER 202 2YCH 22.91 2.88 25.22 # A G 207 # GLY 223 2YCH 28.69 2.06 18.19 # A E 226 # GLU 242 2YCH 30.0 -1.79 21.05 # A K 229 # LYS 245 2YCH 27.78 -4.24 19.01 # A R 230 # ARG 246 2YCH 15.2 -1.94 24.12 # A G 270 # GLY 314 2YCH 18.37 -2.4 22.1 # A G 271 # GLY 315 2YCH 20.63 -1.24 25.0 # A G 272 # GLY 316 2YCH 21.33 -6.59 24.17 # A K 274 # LYS 318 2YCH 24.9 -5.63 25.28 # A L 275 # LEU 319 2YCH 14.25 -2.72 19.71 # A E 317 # GLU 361 3S1Q 11.78 -47.1 41.13 # A R 426 # ARG 446 3S1Q 15.27 -44.05 45.38 # A P 428 # PRO 448 3S1Q 7.86 -48.95 47.43 # A N 459 # ASN 479 3S1Q 1.85 -46.21 45.19 # A D 461 # ASP 481 3S1Q -0.8 -41.91 43.01 # A D 463 # ASP 483 3S1Q 10.12 -40.35 54.31 # A L 1061 # LEU 1081 3S1Q 7.09 -42.35 55.51 # A N 1062 # ASN 1082 3S1Q 1.69 -41.05 59.69 # A H 1065 # HIS 1085 3S1Q -3.6 -34.16 54.89 # B R 669 # ARG 766 3S1Q -3.9 -38.1 44.91 # B K 877 # LYS 987 3S1Q -5.06 -41.47 55.65 # B R 910 # ARG 1020 3V4S 12.7 -28.59 37.54 # B R 108 # ARG 107 3V4S 14.48 -23.87 44.03 # B K 148 # LYS 147 3V4S 8.22 -21.14 40.71 # B G 153 # GLY 152 3V4S 8.22 -17.84 38.77 # B Y 154 # TYR 153 3V4S 9.93 -14.48 39.31 # B D 155 # ASP 154 3V4S 12.31 -16.24 41.77 # B G 156 # GLY 155 3V4S 14.07 -19.67 45.75 # B Q 159 # GLN 158 3V4S 21.93 -26.6 42.48 # B E 183 # GLU 182 3V4S 25.38 -25.04 42.32 # B K 184 # LYS 183 3V4S 25.67 -21.29 41.8 # B W 185 # TRP 184 3V4S 26.88 -20.47 38.3 # B V 186 # VAL 185 3V4S 28.05 -16.4 34.68 # B F 188 # PHE 187 3V4S 22.39 -14.47 30.97 # B E 191 # GLU 190 3V4S 16.93 -9.54 35.72 # B H 214 # HIS 213 3V4S 14.45 -12.14 39.8 # B N 217 # ASN 216 3V4S 17.37 -19.56 29.24 # B E 256 # GLU 255 3V4S 24.11 -18.78 31.65 # B F 258 # PHE 257 3V4S 19.05 -22.66 33.31 # B N 268 # ASN 267 3V4S 15.49 -23.56 32.31 # B E 269 # GLU 268 4B1Z 11.32 10.08 -11.19 # N K 19 # LYS 440 4B1Z 1.46 -15.1 -41.27 # N R 57 # ARG 478 2X3J -0.87 2.86 25.29 # A L 164 # LEU 166 2X3J 7.43 3.69 25.17 # A H 168 # HIS 170 2X3J 8.1 3.73 21.42 # A P 169 # PRO 171 2X3J 2.66 4.53 34.97 # A S 277 # SER 279 2X3J 1.68 2.61 40.3 # A R 279 # ARG 281 2X3J -0.5 5.73 39.89 # A T 280 # THR 282 2X3J 0.51 7.41 43.47 # A K 291 # LYS 293 2X3J 9.35 -0.88 34.92 # A I 298 # ILE 300 2X3J 11.26 0.32 31.88 # A T 299 # THR 301 2X3J 9.26 2.6 40.75 # A R 303 # ARG 305 2X3J -1.92 14.28 42.65 # A R 367 # ARG 369 2X3J 8.38 13.4 28.21 # A H 442 # HIS 444 2X3J 5.24 12.01 26.59 # A L 443 # LEU 445 2X3J 3.87 10.38 29.74 # A Q 444 # GLN 446 2X3J 4.36 13.49 31.88 # A N 445 # ASN 447 2X3J 5.19 14.49 38.05 # A D 462 # ASP 464 2X3J 11.16 11.91 23.23 # A N 507 # ASN 509 5HKK 127.55 49.24 28.43 # O S 143 # SER 145 5HKK 123.48 46.31 26.32 # O T 145 # THR 147 2R6G 5.62 29.31 15.29 # B W 12 # TRP 13 2R6G 7.97 24.73 10.07 # B V 17 # VAL 18 2R6G 7.78 12.55 6.34 # B P 36 # PRO 37 2R6G 5.04 12.86 8.95 # B S 37 # SER 38 2R6G 5.77 16.2 10.63 # B G 38 # GLY 39 2R6G 7.53 18.03 7.81 # B C 39 # CYS 40 2R6G 4.83 20.61 7.04 # B G 40 # GLY 41 2R6G 2.59 19.45 4.19 # B K 41 # LYS 42 2R6G -0.6 20.57 5.95 # B S 42 # SER 43 2R6G 1.15 23.83 6.89 # B T 43 # THR 44 2R6G -6.75 15.71 7.05 # B Q 81 # GLN 82 2R6G -27.12 10.15 7.74 # B R 128 # ARG 129 2R6G -23.58 7.88 12.52 # B A 132 # ALA 133 2R6G -17.64 5.25 9.71 # B S 134 # SER 135 2R6G -14.16 6.83 9.67 # B G 135 # GLY 136 2R6G -13.67 6.15 5.95 # B G 136 # GLY 137 2R6G -17.27 7.09 5.13 # B Q 137 # GLN 138 2R6G -4.48 12.89 2.65 # B Q 158 # GLN 159 2R6G 1.57 9.14 1.98 # B H 191 # HIS 192 3G59 0.04 28.69 18.51 # A S 64 # SER 60 3G59 -3.5 29.99 18.56 # A Y 65 # TYR 61 3G59 -5.04 33.5 18.7 # A N 66 # ASN 62 3G59 -7.45 35.18 13.9 # A G 68 # GLY 64 3G59 -7.93 34.35 10.19 # A K 69 # LYS 65 3G59 -4.4 32.84 9.76 # A D 70 # ASP 66 3G59 -4.87 30.71 12.88 # A C 71 # CYS 67 3G59 -1.2 28.13 23.31 # A V 91 # VAL 106 3G59 -2.59 31.65 23.24 # A F 92 # PHE 107 3G59 -0.54 34.62 24.51 # A I 93 # ILE 108 3G59 -3.04 40.61 26.2 # A H 95 # HIS 110 3G59 2.58 29.29 13.78 # A I 147 # ILE 162 3G59 0.17 30.5 11.08 # A G 148 # GLY 163 3G59 2.07 33.65 10.11 # A I 149 # ILE 164 3G59 2.24 34.65 6.4 # A R 150 # ARG 165 3G59 2.34 39.68 7.85 # A D 153 # ASP 168 3G59 -14.3 40.49 10.13 # A Y 201 # TYR 216 3G59 -6.84 42.71 11.04 # A S 207 # SER 222 3G59 -7.39 42.39 14.76 # A L 208 # LEU 223 3G59 -4.48 44.52 5.49 # A E 281 # GLU 296 3LFZ 13.25 10.24 29.68 # A R 37 # ARG 37 3LFZ 20.17 8.9 31.56 # A I 51 # ILE 51 3LFZ 16.19 10.78 26.41 # A T 53 # THR 53 3LFZ 17.23 13.75 22.26 # A M 55 # MET 55 3LFZ 19.98 11.13 22.63 # A D 56 # ASP 56 3LFZ 24.57 10.62 29.09 # A E 91 # GLU 91 3LFZ 23.84 12.98 35.45 # A V 94 # VAL 94 3LFZ 22.27 16.08 37.01 # A I 95 # ILE 95 3LFZ 19.24 23.36 30.86 # A N 114 # ASN 114 3LFZ 17.45 20.18 32.01 # A V 115 # VAL 115 3LFZ 13.7 19.51 32.15 # A G 116 # GLY 116 3LFZ 13.73 16.58 34.56 # A G 117 # GLY 117 3LFZ 16.45 11.95 39.1 # A P 119 # PRO 119 3LFZ 9.36 20.95 35.12 # A E 133 # GLU 133 3LFZ 5.79 19.74 34.51 # A R 134 # ARG 134 3LFZ 13.38 19.17 21.28 # A R 180 # ARG 180 3LFZ 10.6 21.06 19.48 # A R 181 # ARG 181 3LFZ 5.19 21.44 14.85 # A I 193 # ILE 193 3LFZ 9.43 17.3 18.1 # A T 195 # THR 195 3LFZ 9.15 12.43 20.16 # A T 197 # THR 197 3LFZ 7.89 12.4 16.55 # A D 198 # ASP 198 3LFZ 7.33 7.46 16.97 # A K 201 # LYS 201 3LFZ 1.75 17.76 13.51 # A K 230 # LYS 230 3LFZ -2.61 21.5 13.84 # A D 232 # ASP 232 3LFZ -0.73 23.24 16.58 # A V 233 # VAL 233 3LFZ -1.75 24.43 20.02 # A I 234 # ILE 234 3LFZ 1.39 17.02 28.57 # A D 253 # ASP 253 3LFZ 2.63 19.62 26.09 # A I 254 # ILE 254 3LFZ 5.85 21.46 26.83 # A G 255 # GLY 255 3LFZ 5.93 24.12 24.11 # A A 256 # ALA 256 2Z08 14.75 15.5 12.5 # A A 8 # ALA 8 2Z08 17.66 15.47 14.94 # A Y 9 # TYR 9 2Z08 19.37 12.49 16.62 # A D 10 # ASP 10 2Z08 24.69 12.35 15.22 # A S 12 # SER 12 2Z08 12.25 17.28 16.66 # A V 36 # VAL 36 2Z08 13.95 14.56 18.52 # A H 37 # HIS 37 2Z08 12.26 11.23 19.21 # A A 38 # ALA 38 2Z08 11.63 7.91 15.07 # A P 73 # PRO 87 2Z08 17.47 14.88 8.11 # A M 91 # MET 105 2Z08 20.8 13.03 7.8 # A G 92 # GLY 106 2Z08 22.62 8.11 8.44 # A R 94 # ARG 108 2Z08 22.8 8.46 12.24 # A G 95 # GLY 109 2Z08 24.02 7.0 15.42 # A L 96 # LEU 110 2Z08 23.4 3.51 14.21 # A G 97 # GLY 111 2Z08 25.6 3.71 11.13 # A A 98 # ALA 112 2Z08 19.5 4.8 7.51 # A G 105 # GLY 119 2Z08 16.28 2.88 8.4 # A S 106 # SER 120 2Z08 14.58 6.02 9.8 # A Q 107 # GLN 121 2Z08 15.43 8.08 6.69 # A S 108 # SER 122 2YJ5 -0.86 4.35 -15.76 # B N 33 # ASN 416 2YJ5 0.96 6.35 -21.27 # B T 35 # THR 418 2YJ5 -3.54 0.66 -38.83 # B E 62 # GLU 445 2YJ5 -4.87 3.55 -30.79 # B H 67 # HIS 450 2YJ5 -2.31 -5.75 -25.6 # B G 95 # GLY 478 2YJ5 -1.03 -7.14 -28.9 # B I 96 # ILE 479 2YJ5 -1.91 -5.45 -32.21 # B G 97 # GLY 480 2YJ5 1.2 -5.5 -37.01 # B V 109 # VAL 492 2YJ5 4.07 -6.29 -30.31 # B K 111 # LYS 494 2YJ5 9.02 -2.42 -30.56 # B D 117 # ASP 500 2YJ5 6.79 -3.45 -33.49 # B I 118 # ILE 501 2YJ5 2.34 -2.26 -20.97 # B G 159 # GLY 542 2YJ5 5.71 -1.24 -22.44 # B D 160 # ASP 543 2YJ5 -3.36 -3.84 -13.54 # B K 186 # LYS 569 2YJ5 -6.42 7.34 -19.68 # B D 205 # ASP 588 2YJ5 -8.36 1.39 -21.89 # B N 208 # ASN 591 2Y4I -18.55 37.41 -2.84 # C A 40 # ALA 76 2Y4I -19.94 40.57 -1.27 # C G 41 # GLY 77 2Y4I -14.44 33.19 -0.2 # C V 43 # VAL 82 2Y4I -12.73 27.85 3.92 # C A 56 # ALA 95 2Y4I -12.39 34.78 2.93 # C K 58 # LYS 97 2Y4I -12.54 29.35 8.98 # C M 104 # MET 143 2Y4I -14.43 26.06 9.05 # C E 105 # GLU 144 2Y4I -19.5 24.17 5.72 # C M 107 # MET 146 2Y4I -23.21 26.51 1.97 # C G 110 # GLY 149 2Y4I -25.14 29.39 3.52 # C S 111 # SER 150 2Y4I -27.63 29.31 -1.51 # C Q 114 # GLN 153 2Y4I -25.39 41.33 10.55 # C D 151 # ASP 190 2Y4I -28.64 37.19 6.82 # C K 153 # LYS 192 2Y4I -26.25 34.18 3.55 # C S 155 # SER 194 2Y4I -24.56 34.0 6.94 # C N 156 # ASN 195 2Y4I -23.81 28.07 7.22 # C L 158 # LEU 197 2Y4I -19.88 36.93 9.28 # C D 169 # ASP 208 2Y4I -1.21 58.69 -5.55 # B I 20 # ILE 672 2Y4I -7.14 55.68 -4.81 # B K 22 # LYS 674 2Y4I -10.47 57.28 -5.73 # B G 23 # GLY 675 2Y4I -13.53 55.93 -7.5 # B R 24 # ARG 676 2Y4I -4.49 59.62 -10.1 # B V 28 # VAL 680 2Y4I -6.14 60.73 -13.85 # B R 40 # ARG 692 2Y4I -4.95 68.92 -14.09 # B T 87 # THR 739 2Y4I -2.86 71.34 -12.03 # B S 88 # SER 740 2Y4I -1.33 69.46 -9.14 # B L 89 # LEU 741 2Y4I -2.46 71.15 -5.94 # B C 90 # CYS 742 2Y4I -16.91 66.59 -1.47 # B K 136 # LYS 788 2Y4I -11.94 65.74 -0.0 # B K 138 # LYS 790 2Y4I -12.21 67.69 -3.24 # B N 139 # ASN 791 2Y4I -7.23 71.89 -1.64 # B F 141 # PHE 793 2Y4I -11.6 70.28 -8.09 # B T 148 # THR 802 2Y4I -12.91 67.13 -9.8 # B D 149 # ASP 803 2Y4I -18.72 54.76 -0.39 # B Q 161 # GLN 825 2Z02 -1.58 39.68 15.24 # B Y 15 # TYR 15 2Z02 -7.27 37.91 12.51 # B G 17 # GLY 17 2Z02 -10.98 37.35 11.9 # B K 18 # LYS 18 2Z02 -11.17 34.53 14.45 # B A 19 # ALA 19 2Z02 -7.98 34.23 16.5 # B K 20 # LYS 20 2Z02 -1.68 35.62 18.31 # B I 22 # ILE 22 2Z02 2.98 23.59 15.84 # B H 75 # HIS 75 2Z02 5.56 26.79 18.25 # B K 88 # LYS 88 2Z02 6.13 29.67 12.67 # B V 90 # VAL 90 2Z02 3.06 31.04 7.66 # B I 92 # ILE 92 2Z02 -3.78 33.47 0.55 # B K 129 # LYS 129 2Z02 -1.98 26.14 6.75 # B E 185 # GLU 185 2Z02 -3.13 27.43 12.57 # B D 198 # ASP 198 3KMW -15.06 1.1 11.78 # A N 16 # ASN 200 3KMW -13.95 -4.68 14.8 # A N 18 # ASN 202 3KMW -12.51 -7.03 17.44 # A H 19 # HIS 203 3KMW -11.0 -3.99 19.36 # A S 20 # SER 204 3KMW -13.27 4.03 15.52 # A L 23 # LEU 207 3KMW -10.13 9.8 15.51 # A V 34 # VAL 218 3KMW -10.84 4.74 19.4 # A K 36 # LYS 220 3KMW -5.21 10.84 18.07 # A T 85 # THR 269 3KMW -5.01 13.21 15.11 # A H 86 # HIS 270 3KMW -6.92 12.45 11.93 # A W 87 # TRP 271 3KMW -4.45 11.44 9.18 # A M 88 # MET 272 3KMW -4.56 1.99 2.98 # A N 95 # ASN 279 3KMW -1.66 -0.98 9.49 # A R 139 # ARG 323 3KMW -0.24 6.48 9.32 # A M 142 # MET 326 3KMW -2.07 1.05 17.42 # A D 155 # ASP 339 3KMW -2.18 -2.85 22.14 # A K 157 # LYS 341 4GNI -23.44 16.36 -9.78 # A G 9 # GLY 21 4GNI -24.39 13.04 -8.14 # A N 10 # ASN 22 4GNI -25.2 14.86 -4.84 # A S 11 # SER 23 4GNI -25.77 18.53 -5.69 # A N 12 # ASN 24 4GNI -17.42 15.45 -3.42 # A G 195 # GLY 213 4GNI -20.2 13.37 -1.9 # A G 196 # GLY 214 4GNI -20.26 9.99 -3.57 # A S 197 # SER 215 4GNI -16.85 10.51 -5.16 # A R 198 # ARG 216 4GNI -18.25 13.2 2.04 # A G 224 # GLY 242 4GNI -24.44 15.8 7.17 # A E 264 # GLU 282 4GNI -20.52 17.85 9.5 # A K 267 # LYS 285 4GNI -21.14 21.06 7.61 # A R 268 # ARG 286 4GNI -16.57 23.5 8.79 # A S 271 # SER 289 4GNI -16.16 20.28 -4.24 # A G 334 # GLY 352 4GNI -18.28 20.53 -1.1 # A G 335 # GLY 353 4GNI -15.94 18.41 0.99 # A T 336 # THR 354 4GNI -14.87 23.18 2.64 # A N 338 # ASN 356 4GNI -13.37 21.16 5.48 # A T 339 # THR 357 4F93 -66.52 -28.49 -57.95 # B F 923 # PHE 1325 4F93 -67.33 -33.84 -55.48 # B F 925 # PHE 1327 4F93 -68.47 -32.86 -51.95 # B F 926 # PHE 1328 4F93 -65.9 -32.5 -49.15 # B N 927 # ASN 1329 4F93 -70.77 -32.23 -46.69 # B Q 930 # GLN 1332 4F93 -64.07 -24.89 -38.81 # B P 949 # PRO 1351 4F93 -64.66 -21.82 -40.96 # B T 950 # THR 1352 4F93 -63.6 -22.64 -44.53 # B G 951 # GLY 1353 4F93 -65.28 -26.04 -44.46 # B S 952 # SER 1354 4F93 -68.34 -25.4 -46.62 # B G 953 # GLY 1355 4F93 -71.19 -25.23 -44.12 # B K 954 # LYS 1356 4F93 -73.0 -22.6 -46.22 # B T 955 # THR 1357 4F93 -74.16 -25.17 -48.78 # B I 956 # ILE 1358 4F93 -72.3 -18.94 -36.86 # B E 1053 # GLU 1455 4F93 -60.02 -25.76 -51.71 # B P 1292 # PRO 1694 1A0I 11.87 -24.14 60.81 # A E 31 # GLU 32 1A0I 10.11 -26.16 58.14 # A I 32 # ILE 33 1A0I 7.3 -24.25 56.5 # A K 33 # LYS 34 1A0I 4.6 -26.85 57.04 # A Y 34 # TYR 35 1A0I -2.69 -22.81 60.69 # A R 38 # ARG 39 1A0I -5.49 -17.44 60.76 # A R 54 # ARG 55 1A0I 0.12 -26.03 61.98 # A E 92 # GLU 93 1A0I 5.6 -22.49 66.89 # A Y 140 # TYR 149 1A0I 10.28 -19.94 57.59 # A I 211 # ILE 220 1A0I 12.93 -16.47 61.93 # A K 213 # LYS 222 1A0I 2.26 -9.97 57.66 # A K 223 # LYS 232 1A0I 9.82 -14.08 59.8 # A W 227 # TRP 236 1A0I 9.44 -17.4 53.84 # A K 229 # LYS 238 1A0I 7.3 -17.7 45.24 # A E 233 # GLU 242 1II0 6.07 131.21 -1.84 # B Q 208 # GLN 1208 1II0 5.35 133.44 3.3 # B S 210 # SER 1210 1II0 12.66 138.24 6.97 # B G 326 # GLY 1336 1II0 11.8 134.8 5.64 # B G 327 # GLY 1337 1II0 15.34 133.4 5.28 # B V 328 # VAL 1338 1II0 14.21 130.53 7.49 # B G 329 # GLY 1339 1II0 15.13 131.44 11.07 # B K 330 # LYS 1340 1II0 12.14 129.51 12.42 # B T 331 # THR 1341 1II0 12.7 126.32 10.43 # B T 332 # THR 1342 1II0 19.34 127.75 3.69 # B N 491 # ASN 1527 1II0 17.45 126.74 0.52 # B N 492 # ASN 1528 1II0 19.01 121.8 0.99 # B P 530 # PRO 1566 1II0 13.25 120.51 0.56 # B L 532 # LEU 1568 1II0 7.79 122.42 3.1 # B E 535 # GLU 1571 1II0 9.25 121.58 6.55 # B P 536 # PRO 1572 1II0 17.06 119.27 7.05 # B L 545 # LEU 1581 5LPY 34.32 36.37 28.08 # A I 23 # ILE 889 5LPY 41.7 38.09 17.32 # A F 28 # PHE 894 5LPY 34.16 37.41 22.59 # A V 31 # VAL 897 5LPY 28.5 34.06 21.73 # A A 43 # ALA 909 5LPY 32.96 37.63 18.54 # A K 45 # LYS 911 5LPY 27.66 31.49 17.38 # A Y 90 # TYR 956 5LPY 25.36 29.34 19.45 # A E 91 # GLU 957 5LPY 26.45 29.52 23.07 # A F 92 # PHE 958 5LPY 28.23 26.4 24.31 # A M 93 # MET 959 5LPY 36.3 25.39 25.98 # A S 97 # SER 963 5LPY 41.05 23.95 27.84 # A E 99 # GLU 965 5LPY 39.07 25.8 30.51 # A D 100 # ASP 966 5LPY 43.74 22.99 19.89 # A K 145 # LYS 1011 5LPY 40.68 26.13 23.43 # A S 147 # SER 1013 5LPY 39.07 25.5 20.03 # A N 148 # ASN 1014 5LPY 33.9 23.79 22.79 # A L 150 # LEU 1016 5LPY 37.54 29.05 15.48 # A D 161 # ASP 1027 1FIN -6.2 202.51 114.36 # A I 10 # ILE 10 1FIN -8.47 201.73 117.25 # A G 11 # GLY 11 1FIN -10.46 199.66 119.68 # A E 12 # GLU 12 1FIN -14.1 199.43 120.72 # A G 13 # GLY 13 1FIN -18.17 210.22 107.86 # A V 64 # VAL 64 1FIN -14.39 206.57 104.36 # A E 81 # GLU 81 1FIN -11.05 207.24 106.09 # A F 82 # PHE 82 1FIN -9.84 210.43 107.85 # A L 83 # LEU 83 1FIN -9.7 213.29 115.49 # A D 86 # ASP 86 1FIN -12.57 212.17 119.67 # A Q 131 # GLN 131 1FIN -15.7 211.49 117.65 # A N 132 # ASN 132 1FIN -12.54 213.44 112.38 # A L 134 # LEU 134 1FIN -19.27 207.51 115.9 # A D 145 # ASP 145 3C5E 19.65 -5.76 -10.84 # A T 188 # THR 221 3C5E 22.73 -7.57 -9.58 # A S 189 # SER 222 3C5E 22.84 -5.97 -6.1 # A G 190 # GLY 223 3C5E 26.41 -4.6 -6.51 # A T 191 # THR 224 3C5E 25.45 -1.21 -5.02 # A S 192 # SER 225 3C5E 16.09 -3.23 -7.93 # A K 196 # LYS 229 3C5E 30.01 -7.02 -18.25 # A G 305 # GLY 338 3C5E 33.36 -5.74 -17.04 # A E 306 # GLU 339 3C5E 36.4 -4.13 -18.61 # A S 307 # SER 340 3C5E 33.84 -5.32 -26.24 # A E 326 # GLU 359 3C5E 30.37 -4.03 -25.36 # A S 327 # SER 360 3C5E 28.86 -2.17 -22.46 # A Y 328 # TYR 361 3C5E 25.5 -1.81 -20.82 # A G 329 # GLY 362 3C5E 23.36 -2.35 -17.78 # A Q 330 # GLN 363 3C5E 20.05 -4.08 -16.88 # A T 331 # THR 364 3C5E 29.49 4.98 -14.46 # A D 413 # ASP 446 3C5E 35.09 3.24 -18.63 # A F 425 # PHE 458 3C5E 31.41 3.41 -10.83 # A R 428 # ARG 461 3C5E 31.12 -8.77 -7.93 # A K 524 # LYS 557 2J3M 10.39 11.24 18.81 # B R 133 # ARG 140 2J3M 10.72 16.12 20.75 # B E 135 # GLU 142 2J3M 15.69 11.25 30.22 # B L 142 # LEU 149 2J3M 12.14 12.57 31.02 # B L 143 # LEU 150 2J3M 11.96 13.7 27.45 # B R 144 # ARG 151 2J3M 14.29 11.91 25.13 # B G 145 # GLY 152 2J3M 13.98 6.84 24.54 # B F 148 # PHE 155 2J3M 9.4 2.7 25.94 # B M 150 # MET 157 2J3M 3.67 10.81 32.54 # B E 400 # GLU 407 2J3M 5.35 7.55 33.42 # B I 401 # ILE 408 2J3M 2.85 5.43 31.59 # B G 402 # GLY 409 2J3M -0.25 5.47 29.56 # B H 403 # HIS 410 2J3M 3.19 2.42 27.06 # B G 435 # GLY 442 2J3M 8.51 5.26 29.37 # B G 437 # GLY 444 2J3M 11.62 8.37 31.84 # B R 440 # ARG 447 4C5C 12.28 39.22 66.62 # A K 97 # LYS 97 4C5C 14.68 27.77 73.33 # A I 142 # ILE 142 4C5C 15.95 30.79 67.58 # A K 144 # LYS 144 4C5C 13.26 33.32 60.39 # A E 148 # GLU 148 4C5C 9.81 31.72 60.26 # A G 149 # GLY 149 4C5C 8.21 28.28 60.23 # A S 150 # SER 150 4C5C 10.32 27.24 63.28 # A S 151 # SER 151 4C5C 15.04 26.46 66.35 # A M 154 # MET 154 4C5C 14.76 32.63 75.48 # A E 180 # GLU 180 4C5C 13.35 31.24 78.68 # A K 181 # LYS 181 4C5C 11.33 28.11 77.92 # A W 182 # TRP 182 4C5C 7.6 28.94 78.3 # A L 183 # LEU 183 4C5C 0.29 28.13 72.97 # A E 187 # GLU 187 4C5C 7.18 22.48 70.32 # A F 209 # PHE 209 4C5C 5.32 23.61 67.21 # A Y 210 # TYR 210 4C5C 3.17 23.04 61.4 # A K 215 # LYS 215 4C5C -0.98 36.95 63.05 # A R 255 # ARG 255 4C5C 1.88 34.18 68.39 # A D 257 # ASP 257 4C5C 2.16 31.59 74.95 # A M 259 # MET 259 4C5C 6.52 35.54 70.85 # A L 269 # LEU 269 4C5C 6.42 37.39 67.49 # A E 270 # GLU 270 4C5C 3.93 37.65 61.32 # A N 272 # ASN 272 4NH0 -67.9 -9.69 68.45 # A P 315 # PRO 769 4NH0 -68.53 -18.19 51.18 # A G 378 # GLY 832 4NH0 -66.13 -15.4 50.12 # A P 379 # PRO 833 4NH0 -65.2 -12.95 52.89 # A Q 380 # GLN 834 4NH0 -67.34 -14.81 55.38 # A T 381 # THR 835 4NH0 -64.74 -14.96 58.11 # A G 382 # GLY 836 4NH0 -62.92 -18.23 57.7 # A K 383 # LYS 837 4NH0 -59.32 -17.07 57.77 # A S 384 # SER 838 4NH0 -60.26 -15.12 60.92 # A T 385 # THR 839 4NH0 -56.83 -18.26 52.06 # A G 411 # GLY 865 4NH0 -68.63 -11.53 58.88 # A P 564 # PRO 1018 4NH0 -68.14 -13.88 61.83 # A G 565 # GLY 1019 4NH0 -66.84 -15.84 66.14 # A T 577 # THR 1031 4NH0 -61.53 -12.08 67.67 # A L 579 # LEU 1033 4NH0 -62.08 -5.27 63.26 # A A 588 # ALA 1042 4NH0 -29.57 -26.35 49.65 # A N 619 # ASN 1073 4NH0 -25.55 -26.07 32.67 # A T 664 # THR 1118 4NH0 -24.19 -25.82 36.22 # A E 665 # GLU 1119 4NH0 -26.78 -28.01 37.94 # A C 666 # CYS 1120 4NH0 -24.55 -30.68 39.46 # A G 667 # GLY 1121 4NH0 -23.81 -33.25 36.76 # A K 668 # LYS 1122 4NH0 -20.02 -33.46 37.09 # A S 669 # SER 1123 4NH0 -20.28 -33.39 40.88 # A N 670 # ASN 1124 4NH0 -20.86 -34.38 28.89 # A D 760 # ASP 1214 4NH0 -28.37 -27.08 42.18 # A Q 839 # GLN 1293 4NH0 -28.03 -30.75 43.05 # A G 840 # GLY 1294 4NH0 -31.35 -33.97 46.65 # A Q 855 # GLN 1309 4NH0 -27.9 -35.14 45.59 # A T 856 # THR 1310 4NH0 -24.85 -34.74 47.82 # A A 857 # ALA 1311 4NH0 -22.03 -32.23 47.34 # A Y 858 # TYR 1312 2KMX -0.79 -9.58 -0.11 # A E 35 # GLU 1081 2KMX -4.42 -12.11 1.58 # A S 38 # SER 1084 2KMX -7.47 -9.57 -2.98 # A H 40 # HIS 1086 2KMX -7.39 -8.65 -6.76 # A P 41 # PRO 1087 2KMX -5.3 -5.41 -6.64 # A L 42 # LEU 1088 2KMX -2.62 -5.56 -3.89 # A G 43 # GLY 1089 2KMX -1.36 -8.89 -5.4 # A T 44 # THR 1090 2KMX -13.59 -0.64 -2.57 # A G 70 # GLY 1116 2KMX -12.35 1.17 0.6 # A C 71 # CYS 1117 2KMX -9.14 -0.92 1.24 # A G 72 # GLY 1118 2KMX -8.11 -3.31 4.08 # A I 73 # ILE 1119 2KMX -3.78 0.17 2.22 # A I 136 # ILE 1182 2KMX -6.3 1.49 -0.35 # A G 137 # GLY 1183 2KMX -8.83 4.16 -1.43 # A N 138 # ASN 1184 2KMX -8.64 7.66 0.25 # A R 139 # ARG 1185 2KMX -11.33 7.96 3.02 # A E 140 # GLU 1186 2KMX -7.05 9.97 -11.24 # A E 161 # GLU 1207 2KMX -7.84 7.82 -15.55 # A G 164 # GLY 1210 2KMX -5.49 5.4 -13.64 # A R 165 # ARG 1211 2KMX -5.76 3.72 -10.16 # A T 166 # THR 1212 2KMX -4.43 5.99 -7.35 # A A 167 # ALA 1213 2KMX -4.03 4.77 -3.68 # A V 168 # VAL 1214 4J7C 38.79 3.49 66.24 # H G 8 # GLY 13 4J7C 38.88 -0.21 67.03 # H L 9 # LEU 14 4J7C 40.22 -1.33 63.66 # H G 10 # GLY 15 4J7C 42.63 -4.21 63.19 # H R 11 # ARG 16 4J7C 45.32 -1.65 63.95 # H F 12 # PHE 17 4J7C 34.27 3.2 68.58 # H D 31 # ASP 36 4J7C 31.1 4.4 66.83 # H I 32 # ILE 37 4J7C 33.2 -3.34 67.99 # H K 36 # LYS 41 4J7C 30.91 7.23 70.88 # H A 50 # ALA 55 4J7C 31.15 9.24 67.68 # H N 51 # ASN 56 4J7C 34.59 10.85 67.96 # H A 52 # ALA 57 4J7C 33.67 13.69 65.55 # H T 53 # THR 58 4J7C 43.22 4.46 64.33 # H A 72 # ALA 77 4J7C 40.62 5.47 61.76 # H I 73 # ILE 78 4J7C 42.42 4.91 58.46 # H G 74 # GLY 79 4J7C 39.6 4.34 55.97 # H A 75 # ALA 80 4J7C 36.24 11.01 60.5 # H A 79 # ALA 84 4J7C 46.66 6.48 61.43 # H K 98 # LYS 103 4J7C 50.23 -0.8 55.98 # H E 120 # GLU 125 2Q66 34.83 42.02 34.26 # A Y 83 # TYR 87 2Q66 32.03 39.67 33.2 # A G 84 # GLY 88 2Q66 29.79 40.04 30.19 # A S 85 # SER 89 2Q66 22.85 42.35 32.58 # A S 95 # SER 99 2Q66 24.74 43.54 35.66 # A D 96 # ASP 100 2Q66 30.67 43.34 37.27 # A D 98 # ASP 102 2Q66 37.34 37.94 37.13 # A G 186 # GLY 190 2Q66 23.03 33.32 26.59 # A K 211 # LYS 215 2Q66 21.18 29.72 33.23 # A Y 220 # TYR 224 2Q66 25.05 29.59 38.72 # A N 222 # ASN 226 2Q66 27.8 33.58 32.11 # A G 229 # GLY 233 2Q66 31.47 32.55 32.3 # A V 230 # VAL 234 2Q66 39.46 26.62 38.74 # A M 306 # MET 310 2Q66 33.38 27.36 36.84 # A A 308 # ALA 312 2I4O -9.04 -32.34 -30.4 # A R 143 # ARG 140 2I4O -7.21 -35.66 -34.29 # A E 145 # GLU 142 2I4O -10.97 -44.5 -26.65 # A V 152 # VAL 149 2I4O -7.14 -44.47 -26.88 # A M 153 # MET 150 2I4O -7.12 -41.77 -29.52 # A R 154 # ARG 151 2I4O -10.54 -40.14 -29.5 # A G 155 # GLY 152 2I4O -12.06 -37.4 -24.67 # A F 158 # PHE 155 2I4O -8.84 -35.43 -19.25 # A M 160 # MET 157 2I4O 1.2 -42.19 -22.6 # A E 285 # GLU 282 2I4O -1.39 -42.0 -19.85 # A V 286 # VAL 283 2I4O -0.18 -38.74 -18.3 # A G 287 # GLY 284 2I4O 2.16 -35.8 -18.65 # A Q 288 # GLN 285 2I4O -5.96 -39.24 -19.82 # A G 322 # GLY 319 2I4O -7.58 -43.17 -22.58 # A R 325 # ARG 322 4ITM 1.29 3.12 -6.12 # A G 48 # GLY 48 4ITM -1.46 0.6 -6.77 # A S 49 # SER 49 4ITM -0.63 -2.03 -4.17 # A G 50 # GLY 50 4ITM 2.03 -3.9 -6.13 # A K 51 # LYS 51 4ITM 4.26 -4.97 -3.25 # A T 52 # THR 52 4ITM 1.24 -6.46 -1.46 # A S 53 # SER 53 4ITM 3.64 -10.91 -1.67 # A M 56 # MET 56 4ITM 12.78 -4.36 0.15 # A L 103 # LEU 103 4ITM -6.99 0.37 -2.57 # A Y 187 # TYR 187 4ITM -4.91 -6.08 3.39 # A R 206 # ARG 206 4ITM -0.61 7.34 5.39 # A Q 240 # GLN 240 4ITM 9.28 -1.18 5.72 # A P 279 # PRO 279 4ITM 3.79 -3.22 10.47 # A L 294 # LEU 294 4ITM 3.12 -6.4 8.52 # A N 295 # ASN 295 4ITM -0.17 -6.95 6.67 # A F 296 # PHE 296 4ITM -2.77 -9.88 1.73 # A V 298 # VAL 298 2XSZ 23.86 19.82 32.93 # E A 3 # ALA 39 2XSZ 26.02 16.69 32.48 # E H 4 # HIS 40 2XSZ 23.5 11.8 32.64 # E H 6 # HIS 42 2XSZ 27.17 11.42 31.51 # E I 7 # ILE 43 2XSZ 24.78 8.68 28.97 # E G 24 # GLY 60 2XSZ 24.77 9.61 22.3 # E V 25 # VAL 62 2XSZ 29.51 11.95 18.56 # E Q 27 # GLN 64 2XSZ 30.81 24.33 17.31 # E Q 55 # GLN 93 2XSZ 28.78 25.12 20.51 # E P 56 # PRO 94 2XSZ 26.5 22.36 21.84 # E G 57 # GLY 95 2XSZ 28.47 19.47 20.27 # E T 58 # THR 96 2XSZ 29.32 17.83 23.63 # E G 59 # GLY 97 2XSZ 32.84 19.25 24.06 # E K 60 # LYS 98 2XSZ 32.12 19.63 27.84 # E T 61 # THR 99 2XSZ 30.17 16.3 27.83 # E A 62 # ALA 100 2XSZ 35.8 26.23 27.86 # E D 153 # ASP 214 2XSZ 52.53 21.81 19.16 # E D 203 # ASP 267 2XSZ 24.36 16.56 15.68 # E Y 213 # TYR 277 2XSZ 20.03 14.29 23.89 # E I 221 # ILE 285 2XSZ 17.8 15.74 29.42 # E R 225 # ARG 289 2XSZ 20.65 22.66 21.65 # E L 249 # LEU 314 2XSZ 17.12 22.49 26.61 # E I 253 # ILE 318 3LGX 45.57 71.4 44.7 # A T 152 # THR 148 3LGX 42.19 69.93 43.84 # A S 153 # SER 149 3LGX 55.22 60.34 48.66 # A D 269 # ASP 267 3LGX 51.59 61.34 48.05 # A G 270 # GLY 268 3LGX 49.42 58.4 49.14 # A E 271 # GLU 269 3LGX 49.67 55.39 51.37 # A E 272 # GLU 270 3LGX 58.07 56.54 52.45 # A N 292 # ASN 290 3LGX 57.68 60.28 52.76 # A A 293 # ALA 291 3LGX 54.71 62.3 53.84 # A Y 294 # TYR 292 3LGX 53.1 65.66 53.75 # A G 295 # GLY 293 3LGX 50.58 67.97 52.12 # A P 296 # PRO 294 3LGX 51.53 70.57 49.53 # A T 297 # THR 295 3LGX 55.3 57.69 57.59 # A I 321 # ILE 319 3LGX 46.64 68.41 57.61 # A T 381 # THR 379 3LGX 44.9 63.55 58.42 # A D 383 # ASP 381 3LGX 49.3 57.32 59.48 # A Y 395 # TYR 393 3LGX 41.76 61.35 56.38 # A R 398 # ARG 396 3LGX 48.69 63.2 39.74 # A N 495 # ASN 493 3LGX 47.02 58.53 43.18 # A K 497 # LYS 495 3Q60 -10.07 17.25 -12.4 # A R 66 # ARG 241 3Q60 -7.06 13.3 -16.61 # A G 68 # GLY 243 3Q60 -4.4 11.35 -18.46 # A D 69 # ASP 244 3Q60 -4.23 13.96 -21.23 # A R 70 # ARG 245 3Q60 -6.34 16.9 -20.05 # A S 71 # SER 246 3Q60 -11.17 19.95 -16.78 # A V 73 # VAL 248 3Q60 -17.13 22.16 -17.65 # A A 86 # ALA 261 3Q60 -11.81 20.44 -21.04 # A K 88 # LYS 263 3Q60 -19.91 20.75 -21.93 # A M 149 # MET 337 3Q60 -22.39 20.37 -19.06 # A P 150 # PRO 338 3Q60 -20.64 19.97 -15.74 # A A 151 # ALA 339 3Q60 -21.24 16.65 -13.9 # A A 152 # ALA 340 3Q60 -17.57 11.35 -12.11 # A D 155 # ASP 343 3Q60 -13.84 8.47 -15.41 # A D 205 # ASP 393 3Q60 -21.17 10.93 -14.43 # A F 208 # PHE 396 4R2L 19.11 -40.21 -6.39 # A P 7 # PRO 8 4R2L 17.28 -38.36 -9.17 # A I 8 # ILE 9 4R2L 18.14 -34.98 -10.66 # A D 9 # ASP 10 4R2L 20.05 -39.47 -16.15 # A L 15 # LEU 16 4R2L 15.76 -38.68 -3.6 # A L 37 # LEU 38 4R2L 15.98 -35.36 -5.37 # A T 38 # THR 39 4R2L 18.1 -32.59 -3.95 # A V 39 # VAL 40 4R2L 23.46 -33.33 -3.91 # A P 93 # PRO 95 4R2L 22.63 -38.47 -1.0 # A I 97 # ILE 99 4R2L 23.36 -43.51 -9.89 # A I 111 # ILE 113 4R2L 24.14 -42.43 -13.48 # A A 112 # ALA 114 4R2L 27.11 -38.09 -15.54 # A H 114 # HIS 116 4R2L 24.9 -36.02 -17.78 # A R 115 # ARG 117 4R2L 30.14 -36.25 -12.66 # A G 124 # GLY 126 4R2L 30.97 -34.53 -9.41 # A S 125 # SER 127 4R2L 28.12 -36.19 -7.49 # A N 126 # ASN 128 4R2L 28.62 -39.62 -8.92 # A A 127 # ALA 129 2IJM -0.57 13.99 11.74 # A I 15 # ILE 428 2IJM 0.1 10.47 12.88 # A G 16 # GLY 429 2IJM 2.32 8.18 14.86 # A E 17 # GLU 430 2IJM 4.7 5.89 13.04 # A G 18 # GLY 431 2IJM 6.7 2.84 14.09 # A Q 19 # GLN 432 2IJM 4.76 11.94 11.6 # A V 23 # VAL 436 2IJM 5.04 14.98 5.61 # A A 39 # ALA 452 2IJM 8.61 11.19 9.41 # A K 41 # LYS 454 2IJM 12.0 3.19 3.76 # A E 58 # GLU 471 2IJM 7.88 12.94 1.53 # A M 86 # MET 499 2IJM 4.85 13.9 -0.43 # A E 87 # GLU 500 2IJM 1.98 15.04 1.76 # A L 88 # LEU 501 2IJM -1.25 13.18 1.2 # A C 89 # CYS 502 2IJM -4.66 7.05 6.03 # A E 93 # GLU 506 2IJM -3.72 1.03 6.49 # A R 137 # ARG 550 2IJM -0.84 1.4 4.02 # A N 138 # ASN 551 2IJM -2.77 7.32 1.75 # A L 140 # LEU 553 2IJM 4.28 1.59 2.92 # A D 151 # ASP 564 2IJM 7.92 0.77 2.44 # A F 152 # PHE 565 2IJM 7.24 -2.59 6.49 # A L 154 # LEU 567 1MAB 0.05 30.62 92.73 # B S 355 # SER 355 1MAB 4.44 37.16 97.84 # B D 359 # ASP 359 2CJA 54.62 3.16 106.39 # B R 328 # ARG 336 2CJA 59.39 0.77 108.5 # B E 330 # GLU 338 2CJA 56.03 -5.74 110.1 # B R 339 # ARG 347 2CJA 55.24 -4.67 106.51 # B V 340 # VAL 348 2CJA 49.21 -3.22 105.27 # B F 343 # PHE 351 2CJA 43.56 -2.35 108.27 # B R 345 # ARG 353 2CJA 51.31 -5.6 119.21 # B E 407 # GLU 432 2CJA 48.39 -6.71 117.02 # B F 408 # PHE 433 2CJA 45.46 -4.52 118.12 # B Q 409 # GLN 434 2CJA 44.83 -1.14 119.74 # B N 410 # ASN 435 2CJA 45.64 -4.79 111.13 # B G 440 # GLY 465 2CJA 49.21 -8.65 112.55 # B R 443 # ARG 468 3EPS 31.03 -26.37 19.37 # A P 315 # PRO 316 3EPS 32.13 -26.49 23.0 # A G 316 # GLY 317 3EPS 31.47 -24.95 26.38 # A I 317 # ILE 318 3EPS 31.43 -13.18 28.33 # A V 321 # VAL 322 3EPS 31.72 -13.9 24.61 # A M 322 # MET 323 3EPS 30.83 -17.1 19.43 # A V 324 # VAL 325 3EPS 34.6 -18.18 14.28 # A V 333 # VAL 334 3EPS 33.04 -13.65 18.66 # A K 335 # LYS 336 3EPS 39.61 -15.7 14.2 # A E 415 # GLU 416 3EPS 40.95 -19.06 13.12 # A R 416 # ARG 417 3EPS 38.64 -21.87 14.19 # A R 417 # ARG 418 3EPS 40.44 -24.51 16.23 # A M 418 # MET 419 3EPS 38.58 -26.58 21.95 # A P 420 # PRO 421 3EPS 40.34 -21.61 26.73 # A N 461 # ASN 462 3EPS 42.33 -17.77 22.85 # A Y 473 # TYR 474 3EPS 40.48 -16.47 25.94 # A D 474 # ASP 475 3EPS 40.1 -11.0 28.5 # A D 476 # ASP 477 3EPS 41.26 -13.47 31.17 # A E 477 # GLU 478 4HDH -41.75 23.4 -28.44 # B R 183 # ARG 460 4HDH -35.04 18.35 -27.24 # B K 186 # LYS 463 4HDH -44.11 20.98 -24.74 # B R 197 # ARG 474 4HDH -42.84 22.73 -9.95 # B N 336 # ASN 613 4HDH -34.82 22.8 -10.53 # B S 389 # SER 666 4HDH -38.39 22.58 -11.72 # B G 390 # GLY 667 4HDH -39.0 19.04 -12.9 # B D 391 # ASP 668 4HDH -30.45 20.88 -16.16 # B C 437 # CYS 714 4HDH -29.19 19.68 -19.53 # B S 438 # SER 715 4HDH -23.33 18.71 -22.77 # B R 457 # ARG 734 4HDH -28.8 26.24 -31.51 # B R 465 # ARG 742 4HDH -30.76 29.98 -23.69 # B S 522 # SER 799 4HDH -34.14 29.92 -21.99 # B W 523 # TRP 800 4HDH -32.78 28.23 -18.86 # B S 524 # SER 801 4HDH -29.7 29.05 -14.97 # B H 526 # HIS 803 4FG9 39.28 37.9 96.81 # B L 13 # LEU 26 4FG9 38.27 38.65 93.22 # B G 14 # GLY 27 4FG9 37.23 42.7 87.7 # B G 16 # GLY 29 4FG9 37.74 44.49 84.39 # B A 17 # ALA 30 4FG9 39.44 46.54 89.58 # B S 19 # SER 32 4FG9 38.69 43.1 95.61 # B V 21 # VAL 34 4FG9 36.95 43.89 101.54 # B A 34 # ALA 47 4FG9 37.84 47.29 95.92 # B K 36 # LYS 49 4FG9 27.17 45.12 100.5 # B V 54 # VAL 79 4FG9 33.35 47.44 101.67 # B M 70 # MET 95 4FG9 31.68 45.13 104.16 # B Q 71 # GLN 96 4FG9 31.33 38.83 102.2 # B V 73 # VAL 98 4FG9 29.16 33.93 93.86 # B E 77 # GLU 102 4FG9 24.84 39.98 86.9 # B K 118 # LYS 143 4FG9 29.12 37.81 89.54 # B E 120 # GLU 145 4FG9 27.65 40.78 91.46 # B N 121 # ASN 146 4FG9 27.37 37.12 96.49 # B L 123 # LEU 148 4FG9 28.08 43.87 95.88 # B S 136 # SER 161 4FG9 28.52 46.09 92.83 # B D 137 # ASP 162 3HMN 4.29 -39.31 -6.92 # A I 16 # ILE 531 3HMN 4.55 -42.69 -8.67 # A G 17 # GLY 532 3HMN 8.18 -43.76 -9.15 # A S 18 # SER 533 3HMN 9.91 -43.12 -12.49 # A G 19 # GLY 534 3HMN 12.29 -38.84 -14.54 # A S 22 # SER 537 3HMN 7.58 -36.22 -9.98 # A V 24 # VAL 539 3HMN 4.38 -30.74 -8.34 # A A 36 # ALA 551 3HMN 3.82 -27.23 -11.82 # A M 87 # MET 602 3HMN 0.27 -27.03 -10.59 # A E 88 # GLU 603 3HMN -3.25 -32.37 -9.13 # A G 90 # GLY 605 3HMN -4.72 -39.03 -12.71 # A D 93 # ASP 608 3HMN -5.13 -35.14 -14.11 # A L 139 # LEU 654 3HMN 11.96 -41.01 -22.72 # A M 156 # MET 671 1YID 75.06 -12.33 11.9 # B G 8 # GLY 28 1YID 72.42 -13.99 9.76 # B D 9 # ASP 29 1YID 68.67 -13.75 9.25 # B R 10 # ARG 30 1YID 74.85 -23.23 2.9 # B H 16 # HIS 36 1YID 77.86 -19.35 0.29 # B G 18 # GLY 38 1YID 77.63 -18.45 3.67 # B H 19 # HIS 39 1YID 79.33 -13.32 -3.19 # B R 186 # ARG 206 1YID 79.67 -17.02 -4.09 # B L 187 # LEU 207 1YID 73.08 -18.67 -3.66 # B M 196 # MET 216 1YID 70.05 -18.98 -1.39 # B S 197 # SER 217 1YID 64.9 -19.26 -1.79 # B S 199 # SER 219 3B2Q -21.12 -15.17 25.15 # A F 128 # PHE 149 3B2Q -24.52 -21.14 22.94 # A A 130 # ALA 151 3B2Q -20.13 -24.11 20.39 # A L 133 # LEU 154 3B2Q -27.71 -12.8 32.92 # A L 296 # LEU 317 3B2Q -27.39 -9.36 31.3 # A S 297 # SER 318 3B2Q -22.32 -7.62 30.96 # A I 300 # ILE 321 3B2Q -18.16 -9.3 25.89 # A Q 304 # GLN 325 3B2Q -19.03 -13.27 21.06 # A V 306 # VAL 327 3B2Q -18.71 -16.87 19.86 # A V 307 # VAL 328 3B2Q -20.5 -17.26 16.5 # A A 308 # ALA 329 3B2Q -21.92 -20.4 14.94 # A R 309 # ARG 330 3B2Q -20.33 -7.63 18.06 # A P 324 # PRO 345 3ZS7 -4.88 -15.55 -10.16 # A D 117 # ASP 117 3ZS7 -1.03 -13.03 -13.51 # A V 119 # VAL 119 3ZS7 -6.86 -16.04 -18.81 # A N 140 # ASN 149 3ZS7 -1.84 -17.94 -18.78 # A E 143 # GLU 152 3ZS7 -11.98 -16.76 -18.09 # A K 176 # LYS 185 3ZS7 -12.3 -16.38 -21.82 # A S 177 # SER 186 3ZS7 -16.45 -14.52 -25.34 # A L 184 # LEU 196 3ZS7 -20.71 -13.08 -22.3 # A V 205 # VAL 217 3ZS7 -17.76 -9.13 -26.28 # A Y 207 # TYR 219 3ZS7 -17.17 -5.38 -26.02 # A H 208 # HIS 220 3ZS7 -11.57 -1.95 -26.59 # A G 210 # GLY 222 3ZS7 -10.42 -2.33 -19.95 # A Y 212 # TYR 224 3ZS7 -8.25 -4.35 -13.98 # A G 214 # GLY 226 3ZS7 -11.0 -6.73 -15.25 # A T 215 # THR 227 3ZS7 -9.1 -9.86 -14.13 # A G 216 # GLY 228 3ZS7 -19.09 -12.47 -15.13 # A M 240 # MET 252 3ZS7 -17.75 -7.32 -15.17 # A L 243 # LEU 255 3ZS7 -17.6 -2.6 -18.84 # A I 247 # ILE 259 1Z7E 133.78 30.73 53.77 # D G 310 # GLY 322 1Z7E 134.82 35.9 52.09 # D N 312 # ASN 324 1Z7E 132.92 34.19 49.27 # D G 313 # GLY 325 1Z7E 130.36 35.41 46.75 # D F 314 # PHE 326 1Z7E 127.44 34.51 49.0 # D I 315 # ILE 327 1Z7E 137.97 32.02 55.37 # D D 335 # ASP 347 1Z7E 141.19 31.53 53.4 # D I 336 # ILE 348 1Z7E 141.61 29.98 58.44 # D G 355 # GLY 367 1Z7E 141.19 26.7 56.61 # D D 356 # ASP 368 1Z7E 138.27 24.33 57.36 # D I 357 # ILE 369 1Z7E 129.55 28.16 52.72 # D L 377 # LEU 389 1Z7E 132.98 26.67 52.01 # D V 378 # VAL 390 1Z7E 133.0 24.93 48.63 # D A 379 # ALA 391 1Z7E 131.23 25.37 42.71 # D A 381 # ALA 393 1Z7E 130.93 30.76 36.41 # D R 498 # ARG 510 3QXC 6.72 -25.63 -25.29 # A T 13 # THR 9 3QXC 9.36 -28.45 -24.78 # A N 14 # ASN 10 3QXC 12.12 -26.34 -26.47 # A A 15 # ALA 11 3QXC 14.29 -26.77 -23.35 # A G 16 # GLY 12 3QXC 13.57 -24.03 -20.78 # A K 17 # LYS 13 3QXC 13.81 -26.29 -17.78 # A T 18 # THR 14 3QXC 16.87 -28.21 -19.04 # A T 19 # THR 15 3QXC 8.4 -21.71 -11.88 # A K 39 # LYS 35 3QXC 9.25 -28.33 -13.44 # A D 54 # ASP 50 3QXC 10.9 -20.09 -16.08 # A E 120 # GLU 116 3QXC 19.25 -25.58 -27.2 # A N 179 # ASN 175 3QXC 20.68 -31.44 -28.47 # A K 181 # LYS 177 3QXC 25.69 -25.22 -24.81 # A Q 210 # GLN 206 1SU2 42.69 -2.24 -22.49 # B M 1 # MET 1 1SU2 46.29 -3.07 -21.82 # B E 2 # GLU 2 1SU2 50.51 1.15 -22.67 # B D 4 # ASP 4 1SU2 47.68 7.06 -22.96 # B R 6 # ARG 6 1SU2 29.45 16.43 -27.42 # B L 13 # LEU 13 1SU2 25.36 12.64 -31.31 # B A 15 # ALA 15 1SU2 20.49 14.29 -32.59 # B G 50 # GLY 50 1SU2 22.29 15.18 -29.4 # B A 51 # ALA 51 1SU2 34.3 22.5 -34.21 # B F 87 # PHE 87 1SU2 36.44 26.43 -31.09 # B D 89 # ASP 89 1SU2 34.97 21.23 -29.13 # B V 91 # VAL 91 1SU2 31.81 15.75 -31.2 # B I 93 # ILE 93 1SU2 28.77 10.85 -33.89 # B R 95 # ARG 95 3C16 52.87 11.08 8.76 # A D 21 # ASP 396 3C16 56.4 11.01 7.37 # A I 22 # ILE 397 3C16 58.09 7.76 6.4 # A E 23 # GLU 398 3C16 61.76 10.94 9.51 # A F 25 # PHE 400 3C16 64.76 9.79 11.55 # A T 26 # THR 401 3C16 52.47 16.87 16.32 # A L 63 # LEU 438 3C16 56.17 16.79 15.42 # A G 64 # GLY 439 3C16 56.07 14.81 12.17 # A D 65 # ASP 440 3C16 51.76 8.05 4.85 # A R 109 # ARG 484 3C16 56.05 24.7 19.53 # B D 127 # ASP 1018 3C16 59.48 23.22 20.33 # B I 128 # ILE 1019 3C16 61.75 13.29 20.82 # B N 134 # ASN 1025 3C16 64.25 5.21 17.45 # B K 174 # LYS 1065 1M83 58.33 19.4 41.06 # A G 7 # GLY 7 1M83 56.16 18.92 38.0 # A I 8 # ILE 8 1M83 52.74 17.23 38.15 # A Q 9 # GLN 9 1M83 48.7 15.53 35.21 # A S 11 # SER 11 1M83 55.05 27.01 29.3 # A G 17 # GLY 17 1M83 56.24 24.33 31.73 # A N 18 # ASN 18 1M83 59.04 28.72 32.97 # A G 21 # GLY 21 1M83 60.93 25.89 34.67 # A A 22 # ALA 22 1M83 40.95 25.55 40.48 # A K 111 # LYS 111 1M83 59.51 28.0 39.21 # A V 143 # VAL 143 1M83 57.1 29.21 37.85 # A G 144 # GLY 144 1M83 52.11 30.89 39.53 # A D 146 # ASP 146 1M83 54.02 28.99 42.24 # A Q 147 # GLN 147 1M83 58.93 33.37 30.36 # A G 180 # GLY 180 1M83 57.72 33.09 33.95 # A A 181 # ALA 181 1M83 54.13 33.2 32.72 # A R 182 # ARG 182 1M83 53.29 31.84 29.28 # A I 183 # ILE 183 1M83 48.24 31.07 31.89 # A K 192 # LYS 192 1M83 49.01 28.07 29.7 # A M 193 # MET 193 1M83 48.08 24.94 31.71 # A S 194 # SER 194 1M83 48.95 21.37 30.87 # A K 195 # LYS 195 1M83 45.55 20.35 32.17 # A S 196 # SER 196 3CRC 10.72 29.82 66.71 # A K 189 # LYS 222 3CRC 9.59 26.34 65.7 # A F 190 # PHE 223 3CRC 9.0 27.87 61.12 # A R 193 # ARG 226 3CRC 12.29 22.77 56.71 # A W 218 # TRP 253 3G6V 8.88 19.02 11.95 # A D 10 # ASP 34 3G6V 8.08 16.87 15.04 # A L 11 # LEU 35 3G6V 4.82 14.99 15.49 # A D 12 # ASP 36 3G6V 2.25 16.46 17.92 # A C 13 # CYS 37 3G6V 5.21 17.77 19.94 # A F 14 # PHE 38 3G6V 3.57 18.56 23.35 # A Y 15 # TYR 39 3G6V -4.13 25.25 27.86 # A Q 35 # GLN 59 3G6V -3.69 23.03 21.64 # A V 40 # VAL 64 3G6V -2.53 19.71 20.37 # A T 41 # THR 65 3G6V -2.56 10.79 16.48 # A Y 44 # TYR 68 3G6V -6.87 13.0 15.48 # A R 47 # ARG 71 3G6V -5.32 21.12 16.67 # A K 53 # LYS 77 3G6V -6.53 24.16 18.63 # A L 54 # LEU 78 3G6V 9.22 22.01 17.14 # A D 102 # ASP 126 3G6V 2.56 12.48 8.2 # A K 190 # LYS 214 4CTA 23.85 62.42 21.73 # A L 13 # LEU 13 4CTA 19.14 61.51 19.52 # A T 18 # THR 18 4CTA 21.21 59.98 16.81 # A L 19 # LEU 19 4CTA 24.39 62.1 16.0 # A D 20 # ASP 20 4CTA 24.57 62.41 12.31 # A T 21 # THR 21 4CTA 25.73 66.07 12.45 # A N 22 # ASN 22 4CTA 24.0 72.38 18.91 # A G 68 # GLY 68 4CTA 23.46 73.87 22.36 # A G 69 # GLY 69 4CTA 22.28 77.19 20.84 # A L 70 # LEU 70 4CTA 18.73 77.07 22.29 # A G 71 # GLY 71 4CTA 21.81 75.23 26.04 # A D 76 # ASP 76 4CTA 22.43 75.22 15.53 # A P 151 # PRO 151 4CTA 21.54 71.62 16.33 # A G 152 # GLY 152 4CTA 18.65 70.96 13.86 # A P 153 # PRO 153 4CTA 18.66 75.22 10.28 # A E 156 # GLU 156 4CTA 35.94 47.06 6.9 # A Y 209 # TYR 209 4CTA 34.32 43.72 7.76 # A P 210 # PRO 210 4CTA 30.54 43.52 7.2 # A K 211 # LYS 211 1E2Q 9.75 74.17 31.93 # A D 12 # ASP 15 1E2Q 8.43 71.06 33.77 # A R 13 # ARG 16 1E2Q 4.76 71.57 33.02 # A A 14 # ALA 17 1E2Q 4.47 68.09 31.49 # A G 15 # GLY 18 1E2Q 4.68 69.08 27.78 # A K 16 # LYS 19 1E2Q 6.9 66.2 26.66 # A S 17 # SER 20 1E2Q 5.06 63.58 28.72 # A T 18 # THR 21 1E2Q 6.87 73.62 22.05 # A R 94 # ARG 97 1E2Q 8.78 68.21 40.0 # A R 140 # ARG 143 1E2Q -3.44 66.91 38.09 # A K 179 # LYS 182 1E2Q -2.14 63.36 37.64 # A S 180 # SER 183 1E2Q -0.42 62.33 34.39 # A I 181 # ILE 184 2BEK 7.14 64.68 48.87 # C K 11 # LYS 15 2BEK 8.66 67.63 47.04 # C G 12 # GLY 16 2BEK 12.17 67.67 45.62 # C G 13 # GLY 17 2BEK 13.08 64.0 45.93 # C V 14 # VAL 18 2BEK 14.39 63.52 42.4 # C G 15 # GLY 19 2BEK 11.26 62.63 40.42 # C K 16 # LYS 20 2BEK 12.14 64.86 37.46 # C T 17 # THR 21 2BEK 15.88 64.2 37.56 # C T 18 # THR 22 2BEK 4.62 66.72 44.35 # C P 117 # PRO 121 2BEK 15.64 61.19 49.06 # C Q 138 # GLN 142 2BEK 16.68 62.06 54.42 # C E 140 # GLU 144 2BEK 10.93 63.55 55.57 # C Y 142 # TYR 146 2BEK 20.43 62.35 46.58 # C M 174 # MET 178 2BEK 21.8 57.8 43.07 # C I 202 # ILE 206 2BEK 24.6 59.71 44.81 # C P 203 # PRO 207 2BEK 24.29 63.44 45.44 # C R 204 # ARG 208 2BEK 26.36 65.08 42.73 # C N 205 # ASN 209 2BEK 22.96 66.29 38.14 # C L 208 # LEU 212 2BEK 21.63 69.66 39.29 # C A 209 # ALA 213 4O4E 32.62 -8.68 24.81 # A G 1 # GLY 23 4O4E 36.4 -8.27 24.61 # A S 2 # SER 24 4O4E 36.42 -4.83 26.39 # A F 3 # PHE 25 4O4E 31.7 -1.58 26.01 # A Q 5 # GLN 27 4O4E 39.48 2.36 21.09 # A L 12 # LEU 36 4O4E 40.65 -3.41 20.74 # A K 14 # LYS 38 4O4E 41.09 2.89 16.0 # A M 61 # MET 85 4O4E 39.15 6.1 16.5 # A E 62 # GLU 86 4O4E 36.48 6.28 19.17 # A N 63 # ASN 87 4O4E 33.43 7.27 17.1 # A L 64 # LEU 88 4O4E 23.74 -1.03 16.33 # A D 75 # ASP 99 4O4E 26.78 1.62 14.01 # A L 187 # LEU 211 4O4E 32.34 -2.13 12.53 # A I 206 # ILE 230 4O4E 33.36 -5.54 14.01 # A D 207 # ASP 231 4O4E 36.24 -10.57 13.59 # A A 209 # ALA 233 1E8X 18.82 66.36 13.24 # A M 568 # MET 804 1E8X 23.6 68.56 14.33 # A S 570 # SER 806 1E8X 27.12 68.85 12.89 # A K 571 # LYS 807 1E8X 27.04 65.2 12.0 # A K 572 # LYS 808 1E8X 22.5 62.23 12.58 # A P 574 # PRO 810 1E8X 19.82 57.64 16.34 # A I 595 # ILE 831 1E8X 25.36 58.65 13.35 # A K 597 # LYS 833 1E8X 31.94 60.26 15.96 # A D 600 # ASP 836 1E8X 21.71 54.58 27.43 # A Y 631 # TYR 867 1E8X 22.44 55.4 19.9 # A I 643 # ILE 879 1E8X 19.44 54.64 22.04 # A E 644 # GLU 880 1E8X 17.06 57.59 22.19 # A I 645 # ILE 881 1E8X 16.16 58.46 25.83 # A V 646 # VAL 882 1E8X 18.12 74.06 24.39 # A K 654 # LYS 890 1E8X 26.0 67.74 25.67 # A N 715 # ASN 951 1E8X 20.3 66.43 28.79 # A M 717 # MET 953 1E8X 25.73 62.43 26.3 # A I 727 # ILE 963 1E8X 27.72 62.46 23.14 # A D 728 # ASP 964 1W7A -1.08 47.24 23.36 # A L 591 # LEU 592 1W7A -8.02 46.63 20.43 # A F 595 # PHE 596 1W7A -10.43 46.97 17.53 # A I 596 # ILE 597 1W7A -12.97 42.38 13.68 # A N 598 # ASN 599 1W7A -2.2 50.89 4.09 # A P 614 # PRO 615 1W7A 1.06 50.0 5.69 # A N 615 # ASN 616 1W7A 0.57 49.72 9.44 # A M 616 # MET 617 1W7A -3.17 49.45 8.77 # A G 617 # GLY 618 1W7A -3.49 46.05 10.49 # A G 618 # GLY 619 1W7A -3.2 43.53 7.68 # A K 619 # LYS 620 1W7A -0.68 41.05 9.18 # A S 620 # SER 621 1W7A -2.38 41.22 12.57 # A T 621 # THR 622 1W7A -7.75 48.98 12.24 # A H 751 # HIS 760 2HVY -36.97 -31.95 6.75 # B K 12 # LYS 12 2HVY -26.5 -28.86 16.78 # A H 108 # HIS 118 2HVY -30.35 -32.41 12.82 # A H 110 # HIS 120 2HVY -23.45 -32.76 14.34 # A R 152 # ARG 169 2HVY -30.82 -25.51 16.8 # A H 182 # HIS 199 5J1S -31.05 -2.97 -15.25 # A N 14 # ASN 68 5J1S -30.23 -5.27 -12.28 # A L 15 # LEU 69 5J1S -27.96 -8.18 -13.32 # A F 16 # PHE 70 5J1S -19.65 -5.36 -2.16 # A T 50 # THR 104 5J1S -20.41 -3.83 -5.58 # A G 51 # GLY 105 5J1S -23.32 -6.12 -6.4 # A T 52 # THR 106 5J1S -26.26 -3.7 -6.41 # A G 53 # GLY 107 5J1S -27.57 -2.73 -2.93 # A K 54 # LYS 108 5J1S -27.51 1.09 -3.35 # A N 55 # ASN 109 5J1S -28.38 0.53 -7.03 # A F 56 # PHE 110 5J1S -23.54 0.69 5.91 # A Q 117 # GLN 171 5J1S -22.22 -6.5 3.8 # A N 154 # ASN 208 5J1S -21.98 -3.79 -16.54 # A C 226 # CYS 280 5J1S -18.32 -4.13 -10.36 # A C 265 # CYS 319 5J1S -16.69 -1.45 -8.22 # A K 266 # LYS 320 5J1S -17.83 6.45 -5.13 # B H 149 # HIS 384 5J1S -13.37 2.06 -2.33 # B R 214 # ARG 449 3WV9 56.87 -6.49 42.43 # D V 13 # VAL 19 3WV9 57.64 -10.04 41.42 # D G 14 # GLY 20 3WV9 55.26 -12.18 39.4 # D A 15 # ALA 21 3WV9 56.65 -15.62 40.07 # D G 16 # GLY 22 3WV9 54.89 -18.54 41.62 # D R 17 # ARG 23 3WV9 56.38 -5.89 37.55 # D I 40 # ILE 46 3WV9 58.91 -8.6 36.74 # D D 41 # ASP 47 3WV9 61.14 -12.84 33.32 # D Q 43 # GLN 49 3WV9 59.21 -25.01 34.9 # D D 48 # ASP 54 3WV9 56.26 -22.6 35.25 # D D 49 # ASP 55 3WV9 54.83 -13.45 32.82 # D K 63 # LYS 69 3WV9 63.24 -6.1 37.18 # D Y 85 # TYR 91 3WV9 63.38 -3.49 39.84 # D I 86 # ILE 92 3WV9 60.86 -11.73 44.72 # D I 103 # ILE 109 3WV9 63.32 -14.67 44.53 # D A 104 # ALA 110 3UFG 25.37 30.84 -0.25 # A A 35 # ALA 31 3UFG 21.5 27.94 1.46 # A T 37 # THR 33 3UFG 29.96 37.7 -1.84 # A R 62 # ARG 58 3UFG 34.68 39.49 0.11 # A D 65 # ASP 61 3UFG 42.39 32.82 0.49 # A N 73 # ASN 69 3UFG 39.4 35.07 0.18 # A R 74 # ARG 70 3UFG 37.31 35.2 -2.98 # A L 75 # LEU 71 3UFG 33.74 30.88 -4.85 # A Y 78 # TYR 74 3UFG 30.5 25.72 -1.98 # A Q 80 # GLN 76 3UFG 23.43 30.02 12.45 # A W 119 # TRP 115 3UFG 37.77 26.3 8.81 # A E 138 # GLU 135 3UFG 36.83 24.0 5.92 # A V 139 # VAL 136 3UFG 33.14 23.27 6.52 # A T 140 # THR 137 3UFG 29.96 24.33 8.31 # A Q 141 # GLN 138 3UFG 23.15 20.99 6.23 # A E 159 # GLU 156 3UFG 28.68 23.3 3.52 # A T 161 # THR 158 3UFG 34.72 25.41 1.26 # A G 163 # GLY 160 3UFG 40.18 25.71 1.07 # A R 166 # ARG 163 3HZI 51.12 148.25 3.13 # A V 97 # VAL 98 3HZI 46.37 142.44 4.43 # A A 148 # ALA 152 3HZI 45.21 139.95 7.02 # A G 149 # GLY 153 3HZI 42.08 137.99 7.97 # A A 150 # ALA 154 3HZI 40.2 139.93 10.66 # A Q 151 # GLN 155 3HZI 40.14 146.28 9.74 # A K 153 # LYS 157 3HZI 45.71 150.7 10.91 # A I 175 # ILE 179 3HZI 40.89 147.32 13.81 # A K 177 # LYS 181 3HZI 47.44 151.21 15.91 # A V 218 # VAL 233 3HZI 50.21 153.57 14.71 # A E 219 # GLU 234 3HZI 51.99 152.46 11.49 # A R 220 # ARG 235 3HZI 55.7 151.72 11.6 # A F 221 # PHE 236 3HZI 55.78 151.88 7.84 # A D 222 # ASP 237 3HZI 58.61 146.55 3.69 # A Q 237 # GLN 252 3HZI 56.17 140.11 5.31 # A D 239 # ASP 254 3HZI 52.49 132.76 10.84 # A H 295 # HIS 311 3HZI 52.64 136.87 7.38 # A K 297 # LYS 313 3HZI 53.12 138.48 10.8 # A N 298 # ASN 314 3HZI 58.19 142.09 8.44 # A S 300 # SER 316 3HZI 52.84 143.78 15.49 # A Y 315 # TYR 331 3HZI 49.39 142.29 15.77 # A D 316 # ASP 332 3QX9 20.33 5.89 -9.63 # A L 83 # LEU 522 3QX9 21.24 11.34 -7.79 # A G 85 # GLY 524 3QX9 24.57 12.05 -9.52 # A K 86 # LYS 525 3QX9 26.92 9.07 -9.51 # A T 87 # THR 526 3QX9 25.66 6.22 -14.73 # A Y 90 # TYR 529 3QX9 26.55 3.14 -20.25 # A K 94 # LYS 533 3QX9 17.48 3.02 -19.25 # A Q 106 # GLN 545 3QX9 18.46 5.05 -16.24 # A C 107 # CYS 546 3QX9 16.39 8.89 -10.87 # A Q 109 # GLN 548 3QX9 13.1 7.09 -24.11 # A K 127 # LYS 566 3QX9 15.78 2.65 -27.9 # A K 131 # LYS 570 1KP3 20.55 15.4 34.53 # A A 16 # ALA 16 1KP3 20.27 18.98 33.25 # A F 17 # PHE 17 1KP3 21.78 21.78 35.33 # A S 18 # SER 18 1KP3 25.28 25.08 32.62 # A G 20 # GLY 20 1KP3 27.19 25.19 29.33 # A L 21 # LEU 21 1KP3 28.16 21.52 29.51 # A D 22 # ASP 22 1KP3 24.63 20.12 29.63 # A T 23 # THR 23 1KP3 15.56 16.5 34.29 # A Y 40 # TYR 40 1KP3 16.59 19.31 36.62 # A T 41 # THR 41 1KP3 16.78 19.09 40.39 # A A 42 # ALA 42 1KP3 18.6 21.68 45.31 # A L 44 # LEU 44 1KP3 24.38 13.43 44.4 # A R 106 # ARG 106 1KP3 15.89 12.18 38.91 # A L 113 # LEU 113 1KP3 24.77 13.53 33.14 # A D 127 # ASP 127 1KP3 27.52 15.98 32.27 # A G 128 # GLY 128 1KP3 30.13 14.92 34.88 # A S 129 # SER 129 1KP3 25.64 9.29 39.58 # A F 139 # PHE 139 1KP3 29.17 23.2 42.86 # A D 193 # ASP 193 3A8T 33.11 22.96 24.34 # A D 35 # ASP 62 3A8T 34.13 26.63 24.19 # A K 36 # LYS 63 3A8T 32.86 27.58 27.68 # A M 37 # MET 64 3A8T 27.43 26.31 35.5 # A T 46 # THR 73 3A8T 29.46 25.04 32.54 # A T 47 # THR 74 3A8T 28.6 21.43 33.22 # A N 48 # ASN 75 3A8T 29.55 20.87 21.12 # A G 101 # GLY 128 3A8T 31.05 24.12 19.84 # A S 102 # SER 129 3A8T 30.78 23.48 16.17 # A N 103 # ASN 130 3A8T 32.88 26.59 15.65 # A S 104 # SER 131 3A8T 25.43 36.0 26.04 # A S 172 # SER 212 3A8T 28.8 34.18 27.8 # A K 180 # LYS 220 3A8T 27.95 30.89 29.67 # A A 181 # ALA 221 3A8T 24.21 30.25 29.99 # A I 182 # ILE 222 3A8T 20.92 26.59 22.25 # A L 228 # LEU 268 3A8T 23.29 23.07 17.74 # A Q 232 # GLN 272 3A8T 24.03 23.22 12.85 # A K 235 # LYS 275 3CIS 12.9 85.17 166.81 # G G 10 # GLY 13 3CIS 12.82 81.72 165.23 # G I 11 # ILE 14 3CIS 13.88 80.62 161.76 # G D 12 # ASP 15 3CIS 19.14 78.04 161.15 # G S 14 # SER 17 3CIS 18.35 80.58 165.83 # G A 17 # ALA 20 3CIS 8.07 84.24 167.35 # G V 38 # VAL 41 3CIS 8.27 83.18 163.73 # G H 39 # HIS 42 3CIS 7.27 85.71 161.08 # G A 40 # ALA 43 3CIS 10.17 89.79 160.67 # G A 97 # ALA 100 3CIS 18.02 86.57 167.64 # G V 113 # VAL 116 3CIS 20.79 84.7 165.85 # G G 114 # GLY 117 3CIS 22.92 84.8 160.7 # G L 116 # LEU 119 3CIS 19.79 83.04 159.46 # G G 117 # GLY 120 3CIS 18.59 80.57 156.86 # G S 118 # SER 121 3CIS 19.55 82.96 154.06 # G G 119 # GLY 122 3CIS 23.19 83.1 155.08 # G R 120 # ARG 123 3CIS 27.98 87.97 155.37 # G R 124 # ARG 127 3CIS 21.41 89.1 158.56 # G G 127 # GLY 130 3CIS 18.73 91.65 157.73 # G S 128 # SER 131 3CIS 16.73 90.77 160.84 # G V 129 # VAL 132 3CIS 19.56 90.92 163.37 # G S 130 # SER 133 3CIS 32.54 97.97 177.49 # G G 162 # GLY 165 3CIS 32.2 101.32 179.26 # G V 163 # VAL 166 3CIS 32.79 104.7 177.61 # G D 164 # ASP 167 3CIS 26.95 102.83 178.06 # G S 169 # SER 172 3CIS 36.79 97.47 179.94 # G L 190 # LEU 193 3CIS 37.42 101.05 178.87 # G H 191 # HIS 194 3CIS 39.47 102.26 175.93 # G A 192 # ALA 195 3CIS 37.93 105.87 170.56 # G D 195 # ASP 198 3CIS 37.69 99.3 171.99 # G P 242 # PRO 245 3CIS 27.71 97.09 175.01 # G V 258 # VAL 261 3CIS 25.42 100.03 174.3 # G G 259 # GLY 262 3CIS 25.3 104.24 171.03 # G R 261 # ARG 264 3CIS 28.45 105.78 172.52 # G G 262 # GLY 265 3CIS 30.06 109.14 173.24 # G R 263 # ARG 266 3CIS 30.98 109.53 169.56 # G G 264 # GLY 267 3CIS 28.78 109.07 166.5 # G G 265 # GLY 268 3CIS 23.05 107.15 163.67 # G M 269 # MET 272 3CIS 27.57 102.78 166.73 # G G 272 # GLY 275 3CIS 30.44 101.09 164.92 # G S 273 # SER 276 3CIS 31.79 99.51 168.1 # G V 274 # VAL 277 3CIS 28.34 98.26 169.1 # G G 275 # GLY 278 3A8W -27.18 -47.5 -32.61 # B I 15 # ILE 251 3A8W -26.07 -48.82 -35.99 # B G 16 # GLY 252 3A8W -24.47 -51.43 -38.25 # B R 17 # ARG 253 3A8W -22.79 -51.4 -41.66 # B G 18 # GLY 254 3A8W -20.64 -53.98 -43.48 # B S 19 # SER 255 3A8W -17.69 -53.54 -41.18 # B Y 20 # TYR 256 3A8W -18.93 -51.82 -38.01 # B A 21 # ALA 257 3A8W -21.82 -48.81 -33.77 # B V 23 # VAL 259 3A8W -20.23 -43.06 -30.91 # B A 36 # ALA 272 3A8W -17.29 -47.99 -34.27 # B K 38 # LYS 274 3A8W -17.32 -36.55 -38.0 # B V 71 # VAL 307 3A8W -15.93 -40.62 -32.61 # B I 87 # ILE 323 3A8W -18.36 -37.71 -32.4 # B E 88 # GLU 324 3A8W -21.88 -38.89 -31.57 # B Y 89 # TYR 325 3A8W -24.26 -37.41 -34.17 # B V 90 # VAL 326 3A8W -19.97 -39.74 -42.39 # B T 150 # THR 386 3A8W -18.67 -43.19 -43.51 # B D 151 # ASP 387 3A8W -31.86 -44.41 -34.72 # B F 292 # PHE 543 4U0M 63.41 12.54 206.17 # B Q 110 # GLN 112 4U0M 58.91 3.89 202.82 # B D 129 # ASP 131 4U0M 63.07 7.4 206.0 # B D 131 # ASP 133 4U0M 71.83 -0.91 201.42 # B K 175 # LYS 177 4U0M 73.49 4.51 202.45 # B T 177 # THR 179 4U0M 71.23 2.8 204.99 # B C 178 # CYS 180 4U0M 66.22 -1.23 206.16 # B R 180 # ARG 182 4U0M 59.8 -0.85 204.53 # B H 189 # HIS 191 4U0M 65.03 3.04 205.82 # B N 191 # ASN 193 4U0M 74.86 15.16 202.77 # B S 236 # SER 259 1OJL -31.09 -37.49 -3.93 # E I 3 # ILE 142 1OJL -38.98 -32.29 -18.54 # E S 32 # SER 171 1OJL -35.67 -33.4 -17.21 # E G 33 # GLY 172 1OJL -36.47 -33.68 -13.62 # E T 34 # THR 173 1OJL -37.31 -36.87 -11.87 # E G 35 # GLY 174 1OJL -40.84 -37.46 -12.81 # E K 36 # LYS 175 1OJL -40.27 -41.1 -13.53 # E E 37 # GLU 176 1OJL -45.52 -40.49 -19.26 # E D 98 # ASP 240 1OJL -33.22 -27.48 -5.79 # E R 173 # ARG 315 1OJL -26.54 -34.73 -7.84 # E L 180 # LEU 322 1OJL -22.77 -38.34 -12.76 # E F 184 # PHE 326 1OJL -20.76 -42.5 -13.49 # E R 187 # ARG 329 1OJL -31.05 -32.76 -14.98 # E I 216 # ILE 358 1OJL -30.39 -33.92 -18.39 # E R 217 # ARG 359 1OJL -25.89 -34.83 -17.08 # E E 220 # GLU 362 3H1Q 91.16 33.34 35.72 # B D 33 # ASP 31 3H1Q 92.79 27.72 37.99 # B G 35 # GLY 33 3H1Q 93.45 24.14 39.03 # B T 36 # THR 34 3H1Q 91.28 22.87 36.14 # B A 37 # ALA 35 3H1Q 90.69 25.46 33.43 # B D 38 # ASP 36 3H1Q 90.71 22.86 30.15 # B W 57 # TRP 55 3H1Q 89.62 35.05 44.64 # B E 127 # GLU 125 3H1Q 83.92 27.94 45.9 # B D 144 # ASP 142 3H1Q 86.94 24.02 42.31 # B G 146 # GLY 144 3H1Q 89.07 21.23 40.89 # B G 147 # GLY 145 3H1Q 86.4 18.38 41.97 # B G 170 # GLY 168 3H1Q 86.88 13.29 34.06 # B E 189 # GLU 187 3H1Q 81.79 13.42 34.95 # B K 192 # LYS 190 3H1Q 81.51 16.42 32.71 # B K 193 # LYS 191 3H1Q 75.39 15.79 31.79 # B F 195 # PHE 193 3H1Q 75.11 12.59 35.9 # B H 198 # HIS 196 3H1Q 82.71 26.67 41.15 # B G 231 # GLY 231 3H1Q 82.73 23.92 38.47 # B G 232 # GLY 232 3H1Q 82.17 21.07 40.84 # B T 233 # THR 233 3H1Q 77.7 21.75 37.82 # B Y 235 # TYR 235 3H1Q 82.1 27.51 37.29 # B L 258 # LEU 258 4AKI 139.79 -12.59 302.64 # B F 899 # PHE 2047 4AKI 141.8 -12.3 305.92 # B S 900 # SER 2048 4AKI 153.75 -7.5 291.76 # B K 927 # LYS 2075 4AKI 149.31 -11.3 292.94 # B G 929 # GLY 2077 4AKI 149.9 -8.38 295.33 # B C 930 # CYS 2078 4AKI 146.26 -7.97 296.17 # B G 931 # GLY 2079 4AKI 145.12 -4.9 294.2 # B K 932 # LYS 2080 4AKI 142.21 -6.66 292.53 # B T 933 # THR 2081 4AKI 141.23 -7.82 296.06 # B A 934 # ALA 2082 4AKI 143.61 -4.05 284.47 # B D 1007 # ASP 2155 4AKI 145.69 -1.74 288.36 # B E 1047 # GLU 2195 4AKI 148.62 -8.05 301.23 # B V 1071 # VAL 2219 4AKI 148.17 -11.3 303.02 # B C 1072 # CYS 2220 4AKI 145.61 -16.87 304.78 # B S 1076 # SER 2224 4AKI 145.68 -17.3 300.97 # B K 1077 # LYS 2225 4AKI 140.62 -18.26 301.3 # B H 1080 # HIS 2228 4AKI 144.86 -13.51 280.56 # B R 1359 # ARG 2507 4AKI 140.81 -14.14 284.99 # B E 1363 # GLU 2511 4AKI 150.14 -11.52 285.56 # B R 1401 # ARG 2549 4AKI 149.81 -16.91 287.57 # B R 1404 # ARG 2552 3R5X 47.67 66.58 55.71 # D K 90 # LYS 95 3R5X 41.3 75.71 62.33 # D V 128 # VAL 134 3R5X 43.29 74.15 56.35 # D K 130 # LYS 136 3R5X 44.86 79.03 57.87 # D V 140 # VAL 146 3R5X 41.44 70.64 63.16 # D E 165 # GLU 172 3R5X 40.95 71.35 66.9 # D K 166 # LYS 173 3R5X 42.56 74.66 67.85 # D Y 167 # TYR 174 3R5X 45.6 74.08 70.06 # D I 168 # ILE 175 3R5X 54.94 76.92 68.62 # D E 172 # GLU 179 3R5X 52.74 68.47 59.87 # D E 250 # GLU 260 3R5X 57.73 69.4 55.84 # D N 252 # ASN 262 1D9Z 36.35 47.43 52.63 # A Y 10 # TYR 11 1D9Z 38.52 50.53 52.3 # A E 11 # GLU 12 1D9Z 39.56 52.9 57.63 # A Q 13 # GLN 14 1D9Z 45.56 53.12 57.84 # A Q 16 # GLN 17 1D9Z 47.62 47.7 67.7 # A A 39 # ALA 40 1D9Z 45.8 44.43 67.9 # A T 40 # THR 41 1D9Z 42.73 44.06 65.7 # A G 41 # GLY 42 1D9Z 44.0 45.52 60.55 # A G 43 # GLY 44 1D9Z 47.7 45.14 59.74 # A K 44 # LYS 45 1D9Z 47.54 42.24 57.3 # A T 45 # THR 46 1D9Z 40.76 36.78 70.69 # A D 505 # ASP 510 2ILY 297.55 42.33 -9.57 # A K 158 # LYS 159 2ILY 291.89 34.96 -5.1 # A R 162 # ARG 163 2ILY 288.44 33.31 -9.85 # A K 166 # LYS 167 2ILY 292.37 41.83 -11.34 # A R 173 # ARG 174 2ILY 294.48 44.3 -13.32 # A L 174 # LEU 175 2ILY 296.37 47.4 -12.22 # A I 175 # ILE 176 2ILY 278.18 46.28 -7.9 # A Y 232 # TYR 234 2ILY 279.69 43.83 -10.33 # A T 233 # THR 235 2ILY 282.69 45.32 -12.09 # A G 234 # GLY 236 2ILY 281.75 48.84 -11.06 # A Y 235 # TYR 237 2ILY 284.96 50.53 -12.24 # A D 236 # ASP 238 2ILY 292.58 51.48 -11.18 # A S 285 # SER 288 2ILY 281.94 50.99 -5.48 # A D 324 # ASP 328 2ILY 276.37 37.98 -2.22 # A K 355 # LYS 359 3R5F 0.06 10.7 17.62 # A K 136 # LYS 141 3R5F 0.75 19.85 8.45 # A F 178 # PHE 183 3R5F 2.32 13.57 9.22 # A K 180 # LYS 185 3R5F 10.52 8.99 12.84 # A S 186 # SER 191 3R5F 10.42 12.74 12.03 # A S 187 # SER 192 3R5F -3.37 19.14 11.11 # A E 216 # GLU 221 3R5F -4.29 22.84 11.12 # A A 217 # ALA 222 3R5F -1.28 25.17 11.6 # A A 218 # ALA 223 3R5F -0.84 26.4 15.12 # A V 219 # VAL 224 3R5F 7.46 26.58 20.51 # A E 223 # GLU 228 3R5F 2.77 25.88 21.13 # A F 282 # PHE 304 3R5F 2.11 19.35 19.79 # A N 292 # ASN 314 3R5F 3.87 16.24 21.13 # A E 293 # GLU 315 1ZYD -1.98 61.08 20.54 # A L 14 # LEU 605 1ZYD -0.6 56.16 18.63 # A V 22 # VAL 613 1ZYD 5.05 56.58 21.88 # A A 35 # ALA 626 1ZYD 1.78 52.71 17.8 # A K 37 # LYS 628 1ZYD 10.94 57.07 21.1 # A E 89 # GLU 789 1ZYD 8.6 59.75 22.48 # A Y 90 # TYR 790 1ZYD 8.9 63.23 20.99 # A C 91 # CYS 791 1ZYD 5.67 59.81 4.38 # A D 135 # ASP 835 1ZYD 6.5 66.13 5.38 # A K 137 # LYS 837 1ZYD 6.78 64.18 10.5 # A N 140 # ASN 840 1ZYD 10.32 66.39 14.98 # A F 142 # PHE 842 1ZYD 6.55 58.5 12.04 # A D 153 # ASP 853 4DIN 54.28 40.59 -11.11 # B R 61 # ARG 94 4DIN 56.37 43.8 -5.72 # B G 63 # GLY 96 4DIN 55.85 44.79 -2.1 # B G 64 # GLY 97 2NVU 78.77 -24.27 -23.2 # A R 11 # ARG 15 2NVU 91.23 -22.97 -11.8 # B A 403 # ALA 2056 2NVU 88.31 -21.94 -13.95 # B G 404 # GLY 2057 2NVU 94.95 -27.26 -11.86 # B D 426 # ASP 2079 2NVU 96.05 -29.84 -14.37 # B M 427 # MET 2080 2NVU 94.58 -28.12 -17.4 # B D 428 # ASP 2081 2NVU 86.56 -21.61 -21.11 # B N 434 # ASN 2087 2NVU 82.7 -17.88 -17.89 # B R 437 # ARG 2090 2NVU 86.37 -18.22 -16.77 # B Q 438 # GLN 2091 2NVU 95.29 -22.22 -16.19 # B K 450 # LYS 2103 2NVU 99.58 -30.5 -11.65 # B N 472 # ASN 2125 2NVU 96.99 -33.1 -10.79 # B K 473 # LYS 2126 2NVU 96.11 -32.88 -7.11 # B I 474 # ILE 2127 2NVU 96.97 -36.54 -7.25 # B Q 475 # GLN 2128 2NVU 86.03 -26.39 -7.89 # B G 491 # GLY 2144 2NVU 86.61 -29.78 -9.49 # B L 492 # LEU 2145 2NVU 84.65 -31.44 -12.26 # B D 493 # ASP 2146 3K0F 120.59 69.71 53.73 # A G 36 # GLY 49 3K0F 118.46 72.84 53.53 # A T 37 # THR 50 3K0F 120.14 75.47 55.72 # A G 38 # GLY 51 3K0F 118.44 75.14 59.1 # A K 39 # LYS 52 3K0F 121.47 74.96 61.41 # A T 40 # THR 53 3K0F 123.26 77.55 59.3 # A L 41 # LEU 54 3K0F 133.64 76.89 56.5 # A S 76 # SER 89 3K0F 132.14 80.39 56.37 # A F 77 # PHE 90 3K0F 99.98 75.52 64.16 # A F 186 # PHE 199 3K0F 117.0 76.46 47.28 # A R 205 # ARG 218 3K0F 103.2 83.12 58.82 # A K 211 # LYS 224 3K0F 104.15 85.71 61.44 # A L 212 # LEU 225 3K0F 101.3 86.24 63.89 # A R 213 # ARG 226 3K0F 102.72 91.5 61.39 # A T 215 # THR 228 3K0F 103.31 91.54 57.67 # A S 216 # SER 229 3K0F 105.91 89.76 55.53 # A H 217 # HIS 230 3K0F 104.68 85.85 50.82 # A K 219 # LYS 232 3K0F 124.62 79.17 50.54 # A I 226 # ILE 239 3K0F 128.06 80.6 49.78 # A T 227 # THR 240 3K0F 131.31 81.13 51.69 # A D 228 # ASP 241 3K0F 123.23 81.91 14.4 # A T 277 # THR 290 3K0F 126.24 83.37 12.61 # A G 278 # GLY 291 3K0F 124.79 86.88 12.15 # A T 279 # THR 292 3K0F 127.37 88.55 14.41 # A G 280 # GLY 293 3K0F 126.02 89.37 17.87 # A K 281 # LYS 294 3K0F 129.29 88.24 19.47 # A T 282 # THR 295 3K0F 131.06 90.78 17.25 # A L 283 # LEU 296 3K0F 128.97 79.99 24.51 # A E 305 # GLU 318 3K0F 140.75 88.28 13.82 # A S 317 # SER 330 3K0F 138.42 91.3 13.91 # A W 318 # TRP 331 3K0F 123.73 90.31 6.59 # A R 438 # ARG 451 3K0F 113.65 100.34 19.04 # A K 444 # LYS 457 3K0F 115.21 102.99 21.26 # A M 445 # MET 458 3K0F 113.11 104.5 24.02 # A R 446 # ARG 459 3K0F 114.87 107.85 24.45 # A G 447 # GLY 460 3K0F 116.54 108.58 21.1 # A S 448 # SER 461 3K0F 115.45 108.89 17.46 # A W 449 # TRP 462 3K0F 117.5 106.05 15.89 # A H 450 # HIS 463 3K0F 114.79 103.27 10.76 # A K 452 # LYS 465 3K0F 132.36 91.52 8.15 # A I 459 # ILE 472 3K0F 136.12 91.7 7.57 # A S 460 # SER 473 2ARU 14.85 35.27 36.73 # A R 72 # ARG 72 2ARU 9.85 34.05 27.71 # A G 77 # GLY 77 2ARU 7.81 32.52 30.51 # A A 78 # ALA 78 2ARU 8.2 28.85 31.39 # A V 79 # VAL 79 2ARU 6.54 26.29 33.61 # A Y 80 # TYR 80 2ARU 8.75 24.07 35.72 # A H 81 # HIS 81 2ARU 11.93 19.42 34.34 # A D 85 # ASP 85 2ARU 12.41 35.88 21.25 # A V 129 # VAL 129 2ARU 7.76 33.07 19.3 # A I 131 # ILE 131 2ARU 7.24 30.11 21.71 # A P 132 # PRO 132 2ARU 13.93 29.65 18.46 # A K 135 # LYS 135 2ARU 15.47 26.1 21.86 # A D 138 # ASP 138 2ARU 10.21 21.63 21.81 # A K 145 # LYS 145 2ARU 14.35 26.22 26.36 # A G 148 # GLY 148 2ARU 17.23 28.5 27.31 # A A 149 # ALA 149 2ARU 18.31 32.03 28.2 # A A 150 # ALA 150 2ARU 15.17 23.94 31.1 # A A 163 # ALA 163 2ARU 11.37 18.61 29.74 # A L 165 # LEU 165 2ARU 2.49 23.7 31.5 # A L 173 # LEU 173 2ARU 1.18 29.88 30.32 # A L 177 # LEU 177 3IQ0 -36.43 87.11 11.18 # B N 161 # ASN 167 3IQ0 -43.2 85.9 7.92 # B S 186 # SER 195 3IQ0 -44.57 85.9 3.64 # B K 217 # LYS 226 3IQ0 -46.5 82.63 3.91 # B R 218 # ARG 227 3IQ0 -43.94 79.98 2.99 # B G 219 # GLY 228 3IQ0 -45.47 77.58 0.49 # B N 220 # ASN 229 3IQ0 -47.76 82.58 -1.17 # B G 222 # GLY 231 3IQ0 -45.73 78.66 -7.24 # B Y 237 # TYR 246 3IQ0 -41.66 73.85 -6.94 # B V 239 # VAL 248 3IQ0 -38.0 72.61 -2.56 # B E 241 # GLU 250 3IQ0 -32.61 79.0 4.03 # B T 245 # THR 254 3IQ0 -36.21 82.18 0.66 # B A 247 # ALA 256 3IQ0 -37.19 85.07 2.93 # B G 248 # GLY 257 3IQ0 -38.16 87.49 -1.28 # B F 251 # PHE 260 3IQ0 -43.12 85.6 -4.47 # B N 273 # ASN 282 3IQ0 -38.56 83.18 -3.12 # B G 276 # GLY 285 3IQ0 -39.98 80.23 -5.06 # B A 277 # ALA 286 3IQ0 -35.68 77.28 -2.56 # B V 280 # VAL 289 2C01 10.56 13.45 18.9 # X W 8 # TRP 7 2C01 11.84 21.14 12.04 # X Q 15 # GLN 14 2C01 8.41 21.35 10.46 # X H 16 # HIS 15 2C01 20.44 19.78 6.17 # X K 39 # LYS 38 2C01 3.79 5.12 5.65 # X C 63 # CYS 62 2C01 4.99 1.09 9.41 # X R 69 # ARG 68 2C01 1.45 4.77 12.25 # X N 71 # ASN 70 2C01 3.73 9.49 11.5 # X A 111 # ALA 110 2C01 3.24 7.97 18.3 # X D 113 # ASP 112 2C01 7.04 12.51 15.25 # X V 129 # VAL 128 2C01 7.98 12.39 11.58 # X H 130 # HIS 129 2C01 6.89 14.03 8.33 # X L 131 # LEU 130 3CI1 -24.3 41.97 -0.84 # A I 3 # ILE 3 3CI1 -27.22 42.84 -3.14 # A Y 4 # TYR 4 3CI1 -25.94 44.28 -6.41 # A T 5 # THR 5 3CI1 -29.26 43.71 -8.29 # A K 6 # LYS 6 3CI1 -27.24 42.65 -11.37 # A N 7 # ASN 7 3CI1 -28.9 39.2 -11.24 # A G 8 # GLY 8 3CI1 -28.13 36.32 -15.6 # A Q 12 # GLN 12 3CI1 -25.08 35.97 -13.34 # A T 13 # THR 13 3CI1 -21.27 35.92 -13.54 # A R 14 # ARG 14 3CI1 -29.06 31.17 -13.6 # A K 23 # LYS 23 3CI1 -24.69 27.43 -12.3 # A V 28 # VAL 28 3CI1 -22.21 24.56 -8.17 # A Y 31 # TYR 31 3CI1 -25.52 25.78 -6.8 # A G 32 # GLY 32 1U5R 12.36 68.6 -12.01 # B I 23 # ILE 34 1U5R 10.71 71.84 -11.07 # B G 24 # GLY 35 1U5R 10.41 75.47 -12.01 # B H 25 # HIS 36 1U5R 10.56 78.54 -9.84 # B G 26 # GLY 37 1U5R 10.38 82.29 -10.09 # B S 27 # SER 38 1U5R 15.38 73.27 -10.31 # B V 31 # VAL 42 1U5R 19.4 69.02 -6.91 # B A 44 # ALA 55 1U5R 18.14 75.5 -8.12 # B K 46 # LYS 57 1U5R 16.73 70.39 3.13 # B I 78 # ILE 89 1U5R 21.02 70.78 -2.36 # B M 94 # MET 105 1U5R 20.59 67.12 -1.54 # B E 95 # GLU 106 1U5R 14.66 64.65 -3.05 # B C 97 # CYS 108 1U5R 4.7 72.0 -2.48 # B G 144 # GLY 155 1U5R 7.58 73.09 -0.22 # B N 145 # ASN 156 1U5R 10.21 67.4 0.15 # B L 147 # LEU 158 1U5R 12.23 76.64 -0.18 # B D 158 # ASP 169 1U5R 11.02 62.86 -12.42 # B K 302 # LYS 314 1U5V 39.03 35.69 3.66 # A R 150 # ARG 150 1U5V 39.71 28.07 12.51 # A R 160 # ARG 160 1GN8 24.32 43.95 55.81 # B Y 7 # TYR 7 1GN8 28.08 44.33 56.51 # B P 8 # PRO 8 1GN8 30.59 46.37 54.54 # B G 9 # GLY 9 1GN8 33.12 49.18 54.68 # B T 10 # THR 10 1GN8 30.69 51.72 53.2 # B F 11 # PHE 11 1GN8 24.13 50.96 45.19 # B G 17 # GLY 17 1GN8 24.25 50.19 48.91 # B H 18 # HIS 18 1GN8 20.56 46.6 48.34 # B I 21 # ILE 21 1GN8 25.56 40.65 50.33 # B R 88 # ARG 88 1GN8 25.27 42.45 47.01 # B G 89 # GLY 89 1GN8 26.98 43.39 40.87 # B R 91 # ARG 91 1GN8 31.9 36.54 48.03 # B E 99 # GLU 99 1GN8 21.12 45.73 42.45 # B P 120 # PRO 120 1GN8 23.97 50.83 40.04 # B W 124 # TRP 124 1GN8 29.54 51.52 40.57 # B I 127 # ILE 127 1GN8 31.58 51.05 43.73 # B S 128 # SER 128 1GN8 32.81 53.27 46.56 # B S 129 # SER 129 1GN8 36.36 53.21 45.18 # B S 130 # SER 130 4U07 -14.39 -80.63 92.78 # A T 120 # THR 230 4U07 -12.94 -83.34 88.03 # A I 123 # ILE 233 4U07 -12.76 -86.94 89.35 # A E 124 # GLU 234 4U07 -0.99 -92.28 91.5 # A V 206 # VAL 316 4U07 3.92 -91.31 91.45 # A H 209 # HIS 319 4U07 -1.93 -78.78 98.16 # A H 246 # HIS 356 4U07 -1.2 -84.93 97.49 # A V 250 # VAL 360 4U07 -1.3 -89.13 99.58 # A H 253 # HIS 363 4U07 -9.42 -91.88 98.14 # A D 257 # ASP 367 4U07 -10.4 -88.22 98.6 # A G 258 # GLY 368 4U07 -6.82 -86.79 98.55 # A N 259 # ASN 369 4U07 -7.38 -84.16 95.83 # A G 260 # GLY 370 4U07 -10.78 -83.17 97.22 # A R 261 # ARG 371 4U07 -8.32 -78.52 97.34 # A R 264 # ARG 374 4U07 -3.67 -79.87 86.57 # A Y 289 # TYR 399 4U07 -2.24 -83.38 86.4 # A Y 290 # TYR 400 4U07 1.64 -81.99 89.37 # A L 293 # LEU 403 4U07 7.29 -84.61 91.01 # A N 297 # ASN 407 1MB9 -41.48 105.54 25.51 # B V 242 # VAL 247 1MB9 -43.89 107.71 27.52 # B L 243 # LEU 248 1MB9 -46.93 106.6 29.52 # B S 244 # SER 249 1MB9 -46.69 107.83 34.83 # B G 246 # GLY 251 1MB9 -43.89 109.06 37.09 # B I 247 # ILE 252 1MB9 -41.25 106.54 35.98 # B D 248 # ASP 253 1MB9 -41.2 107.35 32.23 # B S 249 # SER 254 1MB9 -44.1 108.08 21.87 # B V 266 # VAL 271 1MB9 -47.22 106.67 23.54 # B S 267 # SER 272 1MB9 -49.09 103.49 22.66 # B M 268 # MET 273 1MB9 -43.98 96.99 24.55 # B L 325 # LEU 330 1MB9 -44.92 99.5 20.25 # B L 328 # LEU 333 1MB9 -37.74 103.65 29.17 # B T 341 # THR 346 1MB9 -39.06 103.96 32.69 # B G 342 # GLY 347 1MB9 -38.98 100.17 33.15 # B Y 343 # TYR 348 1MB9 -41.44 99.93 40.57 # B D 346 # ASP 351 1MB9 -42.53 105.81 45.4 # B K 418 # LYS 423 1MB9 -49.8 104.58 40.36 # B K 438 # LYS 443 2QUI -103.12 -46.46 -503.94 # A R 81 # ARG 162 2QUI -105.86 -44.72 -501.97 # A G 82 # GLY 163 2QUI -110.78 -46.44 -499.46 # A S 84 # SER 165 2QUI -111.89 -50.02 -498.77 # A S 85 # SER 166 2QUI -113.02 -53.62 -502.4 # A A 87 # ALA 168 2QUI -112.16 -53.13 -509.15 # A H 89 # HIS 170 2QUI -109.9 -50.31 -513.12 # A G 91 # GLY 172 2QUI -107.55 -49.91 -510.16 # A H 92 # HIS 173 2QUI -106.18 -37.7 -512.68 # A D 231 # ASP 312 2QUI -103.26 -37.93 -510.25 # A Q 232 # GLN 313 2QUI -109.43 -44.0 -517.36 # A F 258 # PHE 339 2QUI -110.75 -47.55 -517.35 # A F 259 # PHE 340 2QUI -114.55 -43.92 -515.39 # A K 268 # LYS 349 2QUI -115.25 -47.09 -513.46 # A M 269 # MET 350 2QUI -115.77 -46.12 -509.82 # A S 270 # SER 351 2QUI -116.64 -48.08 -506.69 # A A 271 # ALA 352 2QUI -118.78 -45.02 -505.86 # A S 272 # SER 353 4FHX -19.08 -3.94 -5.23 # A F 49 # PHE 88 4FHX -16.25 -1.63 -6.25 # A G 50 # GLY 89 4FHX -12.54 -2.35 -6.48 # A S 51 # SER 90 4FHX -12.01 0.59 1.68 # A D 62 # ASP 101 4FHX -18.09 -0.9 -0.59 # A D 64 # ASP 103 4FHX -23.21 0.06 -8.5 # A A 129 # ALA 168 4FHX -21.11 -1.03 -12.86 # A N 132 # ASN 171 4FHX -18.84 -3.43 -10.98 # A T 133 # THR 172 4FHX -4.92 5.11 -9.58 # A K 154 # LYS 193 4FHX -12.76 9.9 -8.47 # A S 171 # SER 210 4FHX -10.96 6.56 -8.99 # A S 172 # SER 211 4FHX -14.0 5.26 -10.88 # A Y 173 # TYR 212 4FHX -24.79 10.74 -14.43 # A N 282 # ASN 336 4FHX -18.68 11.02 -13.44 # A V 284 # VAL 338 4FHX -19.03 16.3 -12.25 # A R 286 # ARG 340 1A82 0.18 24.97 7.74 # A T 11 # THR 11 1A82 2.4 21.83 7.81 # A E 12 # GLU 12 1A82 5.53 23.44 6.35 # A V 13 # VAL 13 1A82 7.69 23.1 9.46 # A G 14 # GLY 14 1A82 6.97 26.06 11.78 # A K 15 # LYS 15 1A82 7.28 23.72 14.8 # A T 16 # THR 16 1A82 10.45 21.96 13.68 # A V 17 # VAL 17 1A82 1.92 28.77 21.22 # A K 37 # LYS 37 1A82 3.41 21.83 19.0 # A D 54 # ASP 54 1A82 4.57 30.1 16.97 # A E 115 # GLU 115 1A82 -1.42 27.78 10.11 # A G 118 # GLY 118 1A82 13.02 23.72 5.87 # A N 175 # ASN 175 1A82 13.6 20.57 3.83 # A D 176 # ASP 176 1A82 17.05 22.39 8.34 # A I 203 # ILE 203 1A82 17.87 19.12 6.53 # A P 204 # PRO 204 1A82 15.29 16.44 5.77 # A W 205 # TRP 205 1A82 15.21 14.6 9.12 # A L 206 # LEU 206 1A82 12.9 16.08 13.83 # A P 210 # PRO 210 1A82 11.27 18.0 16.72 # A E 211 # GLU 211 1Y8R 37.85 30.96 60.45 # A R 13 # ARG 21 1Y8R 27.46 34.88 53.52 # C G 84 # GLY 97 1Y8P -53.93 19.82 76.83 # A E 236 # GLU 247 1Y8P -50.28 23.58 75.92 # A K 239 # LYS 250 1Y8P -49.68 22.1 72.44 # A N 240 # ASN 251 1Y8P -45.52 25.45 72.53 # A R 243 # ARG 254 1Y8P -45.96 25.31 68.76 # A A 244 # ALA 255 1Y8P -53.01 28.38 66.12 # A D 276 # ASP 287 1Y8P -47.82 19.3 60.87 # A V 281 # VAL 292 1Y8P -49.62 12.42 66.75 # A L 289 # LEU 300 1Y8P -45.17 10.1 70.23 # A Y 294 # TYR 305 1Y8P -43.49 13.38 71.11 # A S 295 # SER 306 1Y8P -41.28 15.98 69.47 # A T 296 # THR 307 1Y8P -44.6 21.63 78.33 # A L 301 # LEU 321 1Y8P -44.28 18.44 76.25 # A A 302 # ALA 322 1Y8P -42.44 15.12 76.79 # A G 303 # GLY 323 1Y8P -44.85 12.3 77.68 # A F 304 # PHE 324 1Y8P -46.94 12.1 74.51 # A G 305 # GLY 325 1Y8P -50.18 11.44 76.42 # A Y 306 # TYR 326 1Y8P -51.94 14.75 75.96 # A G 307 # GLY 327 1Y8P -53.49 14.16 72.6 # A L 308 # LEU 328 1Y8P -54.67 10.55 72.85 # A P 309 # PRO 329 1Y8P -53.36 23.78 63.09 # A T 332 # THR 352 1ASZ 68.2 40.82 -16.05 # B R 258 # ARG 325 1ASZ 59.87 39.88 -11.62 # B H 267 # HIS 334 1ASZ 60.67 42.69 -14.0 # B M 268 # MET 335 1ASZ 64.26 47.19 -11.32 # B F 271 # PHE 338 1ASZ 62.34 37.66 -0.83 # B E 411 # GLU 478 1ASZ 63.36 41.3 -0.5 # B I 412 # ILE 479 1ASZ 67.09 40.64 0.01 # B L 413 # LEU 480 1ASZ 69.68 38.14 -1.05 # B S 414 # SER 481 1ASZ 71.13 43.26 -2.42 # B G 459 # GLY 526 1ASZ 67.63 44.69 -2.17 # B I 460 # ILE 527 1ASZ 64.88 45.44 -4.66 # B G 461 # GLY 528 1ASZ 59.73 44.37 -3.82 # B R 464 # ARG 531 5JM8 53.41 93.61 68.62 # A L 135 # LEU 143 5JM8 55.3 89.96 64.44 # A G 138 # GLY 146 5JM8 58.22 87.56 64.01 # A H 139 # HIS 147 5JM8 49.96 84.07 70.23 # A S 254 # SER 262 5JM8 45.06 81.48 70.76 # A R 256 # ARG 264 5JM8 46.07 82.39 74.31 # A S 257 # SER 265 5JM8 44.95 78.58 75.64 # A K 268 # LYS 276 5JM8 50.07 81.49 62.2 # A L 275 # LEU 283 5JM8 53.72 81.29 61.02 # A T 276 # THR 284 5JM8 47.26 76.37 66.04 # A R 280 # ARG 288 5JM8 47.48 78.53 82.46 # A R 339 # ARG 347 5JM8 59.23 90.37 71.71 # A V 355 # VAL 363 5JM8 61.23 82.27 72.57 # A H 417 # HIS 425 5JM8 61.29 86.03 72.62 # A Q 418 # GLN 426 5JM8 57.55 85.42 73.01 # A Q 419 # GLN 427 5JM8 57.86 82.85 75.83 # A N 420 # ASN 428 5JM8 55.3 80.8 79.37 # A R 436 # ARG 444 5JM8 54.28 77.98 76.99 # A D 437 # ASP 445 5JM8 65.74 84.55 68.74 # A N 479 # ASN 487 1N5I 40.44 15.51 14.16 # A T 33 # THR 33 1N5I 38.55 13.37 11.64 # A L 34 # LEU 34 1N5I 37.6 10.65 0.08 # A Q 41 # GLN 41 1N5I 45.99 8.95 14.31 # A L 84 # LEU 84 4H2U 78.85 27.11 40.17 # B R 143 # ARG 159 4H2U 77.0 21.81 38.99 # B E 145 # GLU 161 4H2U 66.23 25.92 37.85 # B D 151 # ASP 167 4H2U 69.76 24.62 38.3 # B R 152 # ARG 168 4H2U 72.21 26.53 36.14 # B L 153 # LEU 169 4H2U 73.34 32.56 36.71 # B F 156 # PHE 172 4H2U 72.68 37.02 41.55 # B M 158 # MET 174 4H2U 70.15 30.92 56.72 # B K 219 # LYS 235 4H2U 65.38 30.6 52.05 # B E 221 # GLU 237 4H2U 65.24 28.31 46.75 # B A 234 # ALA 250 4H2U 64.79 31.62 44.91 # B C 235 # CYS 251 4H2U 65.98 33.97 47.64 # B M 236 # MET 252 4H2U 68.17 33.5 50.67 # B S 237 # SER 253 4H2U 68.37 34.41 42.28 # B G 267 # GLY 283 4H2U 65.28 31.3 39.36 # B R 270 # ARG 286 3HGM 22.76 5.56 12.48 # A P 8 # PRO 8 3HGM 24.73 6.64 15.57 # A V 9 # VAL 9 3HGM 27.57 4.88 17.39 # A D 10 # ASP 10 3HGM 31.27 8.84 18.21 # A S 12 # SER 12 3HGM 31.64 11.6 13.72 # A G 14 # GLY 14 3HGM 28.1 10.34 14.32 # A A 15 # ALA 15 3HGM 19.42 3.8 15.18 # A L 36 # LEU 36 3HGM 23.37 -1.1 16.59 # A V 38 # VAL 38 3HGM 26.04 -2.73 12.0 # A P 98 # PRO 98 3HGM 21.5 -0.36 9.12 # A I 102 # ILE 102 3HGM 26.06 8.62 8.39 # A I 116 # ILE 116 3HGM 29.45 9.72 9.72 # A G 117 # GLY 117 3HGM 34.26 7.93 10.5 # A Q 119 # GLN 119 3HGM 33.22 6.59 13.91 # A G 120 # GLY 120 3HGM 34.69 5.32 17.19 # A T 121 # THR 121 3HGM 37.93 4.48 15.35 # A N 122 # ASN 122 3HGM 38.18 7.99 13.83 # A G 123 # GLY 123 3HGM 35.06 4.05 7.88 # A G 130 # GLY 130 3HGM 34.14 0.43 7.19 # A S 131 # SER 131 3HGM 30.45 0.88 8.14 # A V 132 # VAL 132 3HGM 30.15 4.09 6.09 # A A 133 # ALA 133 3HGM 29.43 -0.66 3.31 # A R 135 # ARG 135 2C7E 0.15 45.58 -19.38 # G T 29 # THR 30 2C7E -2.21 48.58 -19.44 # G L 30 # LEU 31 2C7E -0.94 52.06 -20.24 # G G 31 # GLY 32 2C7E 2.42 53.83 -20.51 # G P 32 # PRO 33 2C7E -2.69 42.46 -23.97 # G G 52 # GLY 53 2C7E -7.43 48.68 -30.0 # G D 86 # ASP 87 2C7E -8.56 48.89 -26.4 # G G 87 # GLY 88 2C7E -8.71 45.15 -25.78 # G T 88 # THR 89 2C7E -6.96 45.47 -22.4 # G T 89 # THR 90 2C7E -9.25 48.35 -21.43 # G T 90 # THR 91 2C7E -7.39 59.33 -22.72 # G G 413 # GLY 414 2C7E -5.94 57.84 -19.54 # G G 414 # GLY 415 2C7E -3.55 62.21 -14.81 # G Y 477 # TYR 478 2C7E -0.62 61.9 -17.2 # G N 478 # ASN 479 2C7E 0.84 58.51 -16.24 # G A 479 # ALA 480 2C7E 3.95 59.06 -18.36 # G A 480 # ALA 481 2C7E -3.38 61.93 -24.51 # G I 492 # ILE 493 2C7E -8.42 57.91 -27.38 # G D 494 # ASP 495 2HIX 15.89 29.94 9.6 # A D 245 # ASP 258 2HIX 12.52 28.5 10.63 # A Y 246 # TYR 259 2HIX 12.25 28.83 14.41 # A K 247 # LYS 260 2HIX 11.53 25.22 15.41 # A Y 248 # TYR 261 2HIX 17.45 22.33 21.7 # A R 252 # ARG 265 2HIX 18.9 23.39 26.29 # A R 267 # ARG 280 2HIX 16.25 21.13 17.25 # A E 297 # GLU 310 2HIX 21.35 24.61 12.5 # A F 337 # PHE 350 2HIX 15.71 33.08 13.5 # A M 399 # MET 412 2HIX 21.26 35.33 11.59 # A K 401 # LYS 414 2HIX 22.81 36.96 24.2 # A R 414 # ARG 427 2HIX 21.02 35.99 16.0 # A W 418 # TRP 431 2HIX 14.24 36.03 16.67 # A K 420 # LYS 433 2HIX 8.11 35.97 16.47 # A K 422 # LYS 435 3UBT -4.09 9.69 -9.39 # Y F 7 # PHE 7 3UBT -5.14 14.81 -9.48 # Y E 29 # GLU 29 3UBT -2.51 16.59 -11.58 # Y Y 30 # TYR 30 3UBT 2.28 17.76 -8.51 # Y D 50 # ASP 50 3UBT 2.17 14.96 -5.93 # Y I 51 # ILE 51 3UBT 0.8 5.26 -14.55 # Y P 70 # PRO 70 3UBT 5.77 9.05 -9.87 # Y L 90 # LEU 90 3UBT -6.16 -7.76 -47.04 # Y S 258 # SER 258 3UBT -3.96 -8.76 -44.1 # Y K 259 # LYS 259 3UBT -3.78 -5.08 -43.16 # Y N 260 # ASN 260 1I7L 32.15 48.28 21.11 # A I 136 # ILE 248 1I7L 29.77 49.31 10.11 # A V 156 # VAL 268 1I7L 32.48 54.99 9.63 # A K 158 # LYS 270 1I7L 23.29 61.62 11.58 # A S 164 # SER 276 1I7L 24.15 58.6 9.46 # A G 165 # GLY 277 1I7L 28.59 55.16 7.65 # A K 168 # LYS 280 1I7L 33.33 48.22 14.2 # A E 194 # GLU 306 1I7L 31.09 45.11 14.29 # A P 195 # PRO 307 1I7L 27.57 45.56 12.96 # A F 196 # PHE 308 1I7L 25.33 44.71 15.92 # A I 197 # ILE 309 1I7L 19.32 52.46 20.48 # A D 202 # ASP 314 1I7L 14.63 54.32 20.11 # A R 217 # ARG 329 1I7L 19.86 49.23 10.43 # A W 224 # TRP 336 1I7L 17.63 53.4 13.27 # A T 226 # THR 338 1I7L 17.83 57.21 13.15 # A N 227 # ASN 339 1I7L 25.06 56.4 22.57 # A K 262 # LYS 374 1I7L 22.99 49.86 20.67 # A V 264 # VAL 376 1I7L 29.8 53.23 20.28 # A F 274 # PHE 386 3GNI -4.48 -25.81 -33.01 # B I 30 # ILE 75 3GNI -0.95 -26.44 -31.69 # B G 31 # GLY 76 3GNI 1.51 -28.3 -29.48 # B K 32 # LYS 77 3GNI 4.48 -27.31 -27.31 # B G 33 # GLY 78 3GNI 6.4 -27.36 -24.02 # B F 34 # PHE 79 3GNI 1.27 -28.76 -23.8 # B M 38 # MET 83 3GNI -3.02 -25.77 -27.51 # B V 40 # VAL 85 3GNI -7.2 -20.28 -26.98 # B T 53 # THR 98 3GNI -3.2 -23.91 -23.35 # B R 55 # ARG 100 3GNI -5.32 -16.34 -24.14 # B T 102 # THR 147 3GNI -7.14 -14.55 -26.98 # B S 103 # SER 148 3GNI -5.3 -15.29 -33.18 # B M 105 # MET 150 3GNI 1.56 -18.02 -36.16 # B S 109 # SER 154 3GNI 1.65 -21.78 -39.46 # B D 112 # ASP 157 3GNI 6.12 -19.73 -34.23 # B S 154 # SER 199 3GNI 6.17 -17.1 -31.47 # B H 155 # HIS 200 3GNI 0.75 -14.52 -33.91 # B L 157 # LEU 202 3GNI 7.74 -18.66 -20.95 # B R 170 # ARG 215 5IT5 18.53 25.21 55.67 # F K 108 # LYS 613 5IT5 14.59 39.85 60.85 # F L 119 # LEU 624 5IT5 26.54 40.26 48.03 # F P 145 # PRO 650 5IT5 25.66 35.66 52.41 # F G 147 # GLY 652 5IT5 23.88 38.89 53.15 # F S 148 # SER 653 5IT5 20.63 37.31 54.29 # F G 149 # GLY 654 5IT5 18.83 38.02 51.02 # F K 150 # LYS 655 5IT5 16.93 34.75 50.68 # F S 151 # SER 656 5IT5 16.07 34.69 54.4 # F F 152 # PHE 657 5IT5 17.46 25.48 48.1 # F E 176 # GLU 681 5IT5 25.11 40.26 57.6 # F L 272 # LEU 777 5IT5 25.2 36.91 62.86 # F R 323 # ARG 828 5IT5 21.27 41.72 59.78 # F A 325 # ALA 830 1J7K 59.99 -29.2 -32.84 # A L 1 # LEU 19 1J7K 58.77 -25.87 -31.43 # A R 2 # ARG 20 1J7K 51.15 -26.69 -26.68 # A E 8 # GLU 26 1J7K 53.86 -25.14 -24.48 # A F 9 # PHE 27 1J7K 55.06 -27.37 -21.65 # A I 10 # ILE 28 1J7K 69.48 -19.55 -23.04 # A P 42 # PRO 60 1J7K 67.36 -22.46 -24.28 # A G 43 # GLY 61 1J7K 64.38 -21.84 -22.01 # A L 44 # LEU 62 1J7K 61.92 -20.89 -24.72 # A G 45 # GLY 63 1J7K 62.04 -17.1 -25.0 # A K 46 # LYS 64 1J7K 62.32 -17.17 -28.81 # A T 47 # THR 65 1J7K 59.7 -19.91 -28.91 # A T 48 # THR 66 1J7K 62.28 -26.38 -15.88 # A Y 150 # TYR 180 1J7K 59.25 -32.34 -23.2 # A I 158 # ILE 188 1J7K 64.42 -27.53 -22.52 # A G 186 # GLY 216 1J7K 66.77 -27.04 -25.48 # A R 187 # ARG 217 1J7K 65.58 -32.03 -26.73 # A I 190 # ILE 220 3K5H 19.23 33.39 36.96 # A K 104 # LYS 104 3K5H 21.06 35.41 24.28 # A M 144 # MET 144 3K5H 18.47 37.54 29.3 # A K 146 # LYS 146 3K5H 11.82 35.61 33.6 # A A 151 # ALA 151 3K5H 9.33 33.33 31.88 # A Y 152 # TYR 152 3K5H 8.45 32.11 28.5 # A D 153 # ASP 153 3K5H 11.5 33.95 27.14 # A G 154 # GLY 154 3K5H 15.31 37.15 26.56 # A N 157 # ASN 157 3K5H 24.97 33.96 27.56 # A E 181 # GLU 181 3K5H 26.94 32.5 24.72 # A K 182 # LYS 182 3K5H 24.72 30.8 22.18 # A W 183 # TRP 183 3K5H 23.98 27.08 22.83 # A A 184 # ALA 184 3K5H 21.7 22.16 20.99 # A F 186 # PHE 186 3K5H 16.39 20.16 24.54 # A E 189 # GLU 189 3K5H 10.13 25.35 22.39 # A Q 211 # GLN 211 3K5H 10.88 30.46 23.18 # A S 214 # SER 214 3K5H 16.23 22.06 31.59 # A E 254 # GLU 254 3K5H 20.59 21.31 26.15 # A F 256 # PHE 256 3K5H 19.74 25.52 30.55 # A C 266 # CYS 266 3K5H 18.0 26.57 33.85 # A E 267 # GLU 267 3H5N -8.84 13.9 6.89 # A R 94 # ARG 94 3H5N -7.18 -14.3 7.12 # A G 122 # GLY 122 3H5N -5.75 -12.31 10.01 # A C 123 # CYS 123 3H5N -2.05 -12.43 9.17 # A G 124 # GLY 124 3H5N 0.07 -9.65 7.69 # A G 125 # GLY 125 3H5N -8.76 -17.09 11.54 # A D 146 # ASP 146 3H5N -4.2 -19.47 14.39 # A D 148 # ASP 148 3H5N 4.56 -12.84 13.1 # A N 154 # ASN 154 3H5N 4.47 -7.57 9.38 # A R 157 # ARG 157 3H5N 1.64 -8.06 11.82 # A Q 158 # GLN 158 3H5N -4.92 -13.64 16.19 # A K 170 # LYS 170 3H5N -12.63 -21.14 11.73 # A L 192 # LEU 192 3H5N -10.05 -22.88 9.57 # A N 193 # ASN 193 3H5N -11.23 -23.54 6.04 # A I 194 # ILE 194 3H5N -5.84 -16.73 3.71 # A A 213 # ALA 213 3H5N -3.58 -18.79 1.48 # A D 214 # ASP 214 3H5N -3.61 -22.49 2.57 # A H 215 # HIS 215 3H5N -8.34 -22.02 -1.12 # A L 219 # LEU 219 3H5N 2.18 -11.27 -2.48 # A Y 239 # TYR 239 2IAJ 160.07 -39.09 69.6 # A D 110 # ASP 110 2IAJ 163.36 -37.44 70.51 # A V 111 # VAL 111 2IAJ 164.95 -38.46 73.78 # A G 112 # GLY 112 2IAJ 165.92 -35.39 75.83 # A D 113 # ASP 113 2IAJ 164.9 -33.04 73.03 # A A 114 # ALA 114 2IAJ 165.43 -29.88 75.13 # A Y 115 # TYR 115 2IAJ 162.96 -27.8 81.5 # A Q 151 # GLN 151 2IAJ 157.05 -30.72 69.98 # A M 184 # MET 184 2IAJ 159.43 -33.6 69.41 # A D 185 # ASP 185 2IAJ 156.66 -36.05 68.56 # A D 186 # ASP 186 2IAJ 161.89 -46.84 71.31 # A K 219 # LYS 219 3TLX 24.99 -19.56 53.62 # D G 31 # GLY 42 3TLX 23.37 -21.93 51.09 # D T 32 # THR 43 3TLX 26.21 -31.32 57.26 # D R 122 # ARG 151 3TLX 31.0 -29.73 53.16 # D R 126 # ARG 155 3TLX 13.71 -29.39 55.84 # D Q 167 # GLN 227 3TLX 15.19 -29.7 52.24 # D P 168 # PRO 228 3TLX 17.07 -26.61 50.91 # D A 169 # ALA 229 3VH4 -40.4 11.74 9.91 # A G 38 # GLY 331 3VH4 -43.93 11.61 8.43 # A A 39 # ALA 332 3VH4 -45.23 14.88 9.85 # A G 40 # GLY 333 3VH4 -45.53 18.31 8.27 # A T 41 # THR 334 3VH4 -42.3 7.34 11.83 # A D 62 # ASP 355 3VH4 -43.66 5.71 14.97 # A N 63 # ASN 356 3VH4 -46.59 7.97 15.74 # A G 64 # GLY 357 3VH4 -52.42 16.8 12.16 # A N 70 # ASN 363 3VH4 -49.75 17.44 7.43 # A Q 74 # GLN 367 3VH4 -48.65 7.53 10.23 # A K 86 # LYS 379 3VH4 -39.9 2.36 13.6 # A L 108 # LEU 401 3VH4 -38.96 4.24 16.74 # A S 109 # SER 402 3VH4 -35.7 6.12 16.53 # A I 110 # ILE 403 3VH4 -38.99 17.18 15.54 # A D 145 # ASP 438 3VH4 -33.86 12.41 17.21 # A S 149 # SER 442 3VH4 -40.32 19.16 11.66 # B G 113 # GLY 116 2HS0 19.98 -24.92 131.0 # A Y 34 # TYR 35 2HS0 25.34 -22.17 138.06 # A I 41 # ILE 42 2HS0 28.68 -21.58 142.24 # A L 44 # LEU 45 2HS0 31.7 -35.64 135.87 # A K 67 # LYS 68 2HS0 25.26 -37.09 134.34 # A E 69 # GLU 70 2HS0 32.45 -37.11 128.22 # A D 93 # ASP 94 2HS0 25.9 -45.14 139.55 # A D 106 # ASP 107 2HS0 30.45 -47.43 144.2 # A G 134 # GLY 135 2HS0 27.26 -45.46 143.81 # A G 135 # GLY 136 2HS0 23.97 -45.27 145.73 # A E 136 # GLU 137 2HS0 20.92 -47.47 145.91 # A L 137 # LEU 138 2HS0 18.18 -45.34 147.35 # A R 138 # ARG 139 2HS0 33.92 -32.92 122.41 # A Q 215 # GLN 235 2HS0 31.88 -36.1 122.51 # A D 216 # ASP 236 2HS0 29.8 -25.8 120.85 # A E 228 # GLU 248 2HS0 24.69 -53.18 147.2 # A A 346 # ALA 366 2HS0 25.76 -56.49 141.92 # A F 350 # PHE 370 2HS0 31.14 -51.53 150.56 # A G 363 # GLY 386 2HS0 32.4 -49.09 153.17 # A F 364 # PHE 387 2HS0 31.6 -45.63 151.93 # A G 365 # GLY 388 2HS0 25.76 -39.05 148.25 # A H 382 # HIS 405 2HS0 32.86 -39.55 153.94 # A K 406 # LYS 429 2HS0 26.79 -32.6 141.29 # A N 419 # ASN 442 2HS0 20.48 -31.55 140.15 # A V 421 # VAL 444 2HS0 32.29 -27.27 142.05 # A V 451 # VAL 474 2HS0 31.27 -29.73 136.78 # A S 453 # SER 476 2HS0 27.72 -30.92 137.1 # A G 454 # GLY 477 2HS0 24.51 -31.56 135.27 # A N 455 # ASN 478 2HS0 20.76 -30.86 135.67 # A A 456 # ALA 479 2HS0 26.89 -43.38 157.14 # A S 525 # SER 548 2HS0 23.5 -41.68 157.57 # A S 526 # SER 549 2HS0 22.03 -44.5 159.75 # A Q 527 # GLN 550 2HS0 24.31 -50.46 156.89 # A T 530 # THR 553 2HS0 26.35 -53.37 153.01 # A T 532 # THR 555 2HS0 28.95 -52.65 155.76 # A H 533 # HIS 556 2ZDQ 40.01 6.87 3.01 # A K 116 # LYS 116 2ZDQ 48.23 2.58 9.62 # A V 131 # VAL 131 2ZDQ 44.1 11.67 13.31 # A F 151 # PHE 151 2ZDQ 39.49 12.86 8.99 # A K 153 # LYS 153 2ZDQ 38.78 14.97 2.2 # A T 157 # THR 157 2ZDQ 41.77 16.62 0.56 # A G 158 # GLY 158 2ZDQ 44.03 19.59 1.45 # A S 159 # SER 159 2ZDQ 43.86 18.62 5.15 # A S 160 # SER 160 2ZDQ 41.47 17.0 9.92 # A I 163 # ILE 163 2ZDQ 43.68 6.58 12.38 # A E 189 # GLU 189 2ZDQ 46.47 5.82 14.86 # A K 190 # LYS 190 2ZDQ 48.84 8.77 14.75 # A A 191 # ALA 191 2ZDQ 52.48 8.02 14.1 # A L 192 # LEU 192 2ZDQ 56.35 11.88 5.07 # A E 197 # GLU 197 2ZDQ 57.85 21.46 7.7 # A Y 218 # TYR 218 2ZDQ 51.08 18.46 10.89 # A F 222 # PHE 222 2ZDQ 51.0 19.03 7.11 # A Y 223 # TYR 223 2ZDQ 50.49 23.14 2.05 # A K 228 # LYS 228 2ZDQ 50.61 10.93 -6.2 # A R 268 # ARG 268 2ZDQ 51.78 9.5 -0.07 # A D 270 # ASP 270 2ZDQ 54.62 7.5 6.19 # A F 272 # PHE 272 2ZDQ 48.77 6.95 3.53 # A N 281 # ASN 281 2ZDQ 46.68 7.52 0.37 # A E 282 # GLU 282 2ZDQ 45.42 11.09 -4.99 # A N 284 # ASN 284 4KGM 65.03 89.9 68.73 # A D 28 # ASP 30 4KGM 64.31 86.69 66.81 # A G 29 # GLY 31 4KGM 60.06 85.73 62.07 # A H 31 # HIS 33 4KGM 59.63 83.74 65.28 # A F 32 # PHE 34 4KGM 55.94 83.31 64.48 # A H 33 # HIS 35 4KGM 57.98 78.64 66.74 # A T 36 # THR 38 4KGM 51.57 78.8 74.89 # A P 42 # PRO 44 4KGM 57.7 75.83 75.38 # A D 44 # ASP 46 4KGM 62.67 76.86 73.49 # A L 47 # LEU 49 4KGM 59.52 85.74 74.39 # A S 72 # SER 74 4KGM 62.0 85.91 71.5 # A D 73 # ASP 75 4A6X -3.73 9.18 12.07 # A E 32 # GLU 139 4A6X -1.98 6.57 14.16 # A F 33 # PHE 140 4A6X -3.99 3.37 14.34 # A G 34 # GLY 141 4A6X -6.05 4.07 11.21 # A S 35 # SER 142 4A6X -5.03 0.8 9.52 # A G 36 # GLY 143 4A6X -2.33 1.85 7.04 # A K 37 # LYS 144 4A6X 0.13 -0.84 8.0 # A T 38 # THR 145 4A6X -2.52 -3.51 8.34 # A Q 39 # GLN 146 4A6X 0.72 -11.36 10.67 # A R 74 # ARG 181 4A6X -1.95 -15.5 9.68 # A E 77 # GLU 184 4A6X 0.87 9.51 9.07 # A Q 177 # GLN 284 4A6X -12.33 1.94 9.56 # A R 196 # ARG 323 4A6X -9.47 -5.56 10.47 # A I 215 # ILE 342 4A6X -9.67 -9.28 11.23 # A T 216 # THR 343 5GJC 2.66 11.52 5.71 # A P 15 # PRO 196 5GJC 3.44 13.84 2.79 # A G 16 # GLY 197 5GJC -0.19 14.79 2.17 # A A 17 # ALA 198 5GJC 0.53 18.5 2.49 # A G 18 # GLY 199 5GJC -0.34 19.38 6.09 # A K 19 # LYS 200 5GJC 2.65 21.64 6.7 # A T 20 # THR 201 5GJC 2.9 23.46 3.36 # A R 21 # ARG 202 5GJC 4.23 17.71 14.01 # A E 98 # GLU 286 5GJC 2.22 9.83 -2.1 # A N 142 # ASN 330 5GJC 10.78 10.26 5.12 # A R 271 # ARG 459 5GJC 6.79 11.65 -0.76 # A R 274 # ARG 462 1MO8 11.72 1.62 9.58 # A R 48 # ARG 430 1MO8 8.89 -3.35 12.29 # A D 68 # ASP 450 1MO8 5.66 -5.1 11.16 # A A 69 # ALA 451 1MO8 5.03 -2.89 8.04 # A S 70 # SER 452 1MO8 -0.27 7.44 14.8 # A F 100 # PHE 482 1MO8 -4.09 3.87 17.41 # A S 102 # SER 484 1MO8 -3.82 5.18 11.16 # A K 105 # LYS 487 1MO8 -1.56 7.78 9.43 # A Y 106 # TYR 488 1MO8 1.81 9.23 10.33 # A Q 107 # GLN 489 1MO8 2.41 7.28 5.41 # A K 126 # LYS 508 1MO8 -0.52 5.19 6.7 # A G 127 # GLY 509 1MO8 -3.56 3.16 5.72 # A A 128 # ALA 510 1MO8 -7.44 6.75 5.96 # A R 131 # ARG 513 1MO8 -4.74 -5.22 6.21 # A G 167 # GLY 549 1MO8 -1.06 -4.16 6.1 # A E 168 # GLU 550 1MO8 0.31 1.43 2.04 # A L 171 # LEU 553 3TUV -31.54 19.29 25.77 # A R 388 # ARG 429 3TUV -31.11 12.24 18.14 # A D 854 # ASP 895 3TUV -32.65 15.27 16.38 # A K 855 # LYS 896 3TUV -31.6 18.89 17.06 # A P 856 # PRO 897 3TUV -34.0 20.68 19.44 # A K 857 # LYS 898 3TUV -33.04 24.21 18.34 # A K 858 # LYS 899 3TUV -28.35 26.92 16.03 # A S 860 # SER 901 3TUV -27.79 23.2 16.78 # A A 861 # ALA 902 3TUV -23.98 23.98 13.32 # A A 864 # ALA 905 3T54 -3.08 4.88 4.1 # A R 92 # ARG 134 3T54 9.1 0.47 2.05 # A P 107 # PRO 149 3T54 6.8 0.33 11.77 # A V 143 # VAL 185 3T54 0.72 2.59 11.24 # A K 145 # LYS 187 3T54 -0.78 9.9 13.93 # A H 152 # HIS 194 3T54 2.55 5.41 14.57 # A V 154 # VAL 196 3T54 4.81 8.66 17.87 # A L 169 # LEU 211 3T54 0.96 14.66 16.81 # A R 171 # ARG 213 3T54 6.43 -1.92 7.07 # A E 195 # GLU 237 3T54 10.19 -2.23 7.1 # A E 196 # GLU 238 3T54 12.02 0.44 9.06 # A F 197 # PHE 239 3T54 14.25 2.44 6.7 # A M 198 # MET 240 3T54 12.97 13.18 7.57 # A D 204 # ASP 246 3T54 9.29 17.03 3.78 # A K 206 # LYS 248 3T54 13.09 12.3 12.93 # A S 222 # SER 264 3T54 10.79 11.46 15.9 # A P 223 # PRO 265 3T54 7.43 12.85 3.05 # A D 267 # ASP 309 3T54 12.97 8.87 3.55 # A L 269 # LEU 311 3T54 5.31 6.48 2.51 # A C 278 # CYS 320 3T54 3.22 9.45 3.61 # A D 279 # ASP 321 3T54 -0.54 14.51 3.15 # A N 281 # ASN 323 3TUX 3.95 -12.02 -13.51 # A E 11 # GLU 14 3TUX 8.31 -15.62 -12.72 # A G 13 # GLY 16 3TUX 11.47 -16.34 -10.75 # A G 14 # GLY 17 3TUX 11.75 -12.89 -9.12 # A Q 15 # GLN 18 3TUX 15.12 -14.87 -5.69 # A R 18 # ARG 21 3TUX 6.94 -20.31 -12.55 # A R 37 # ARG 40 3TUX 5.79 -20.77 -18.07 # A R 40 # ARG 43 3TUX 16.84 -20.78 -10.31 # A H 49 # HIS 52 3TUX 21.26 -10.91 -7.25 # A Q 101 # GLN 104 3TUX 15.6 -10.35 -19.75 # A S 126 # SER 129 3TUX 18.18 -10.0 -16.98 # A A 127 # ALA 130 3TUX 20.55 -7.25 -15.81 # A P 128 # PRO 131 3TUX 24.2 -2.54 -15.85 # A F 132 # PHE 135 3TUX 20.09 -2.6 -23.91 # A F 248 # PHE 251 3TUX 14.06 -2.48 -14.21 # A Y 281 # TYR 284 3TUX 12.54 -3.31 -8.87 # A D 284 # ASP 287 3TUX 16.25 -3.72 -8.06 # A Q 285 # GLN 288 3TUX 8.26 -7.26 -10.46 # A N 306 # ASN 309 3RK1 -1.19 -2.6 11.02 # B L 7 # LEU 10 3RK1 -2.63 0.6 12.45 # B Y 8 # TYR 11 3RK1 -2.94 3.86 10.51 # B S 9 # SER 12 3RK1 -5.54 5.54 12.74 # B G 10 # GLY 13 3RK1 -8.46 5.53 10.33 # B G 11 # GLY 14 3RK1 -11.81 3.76 10.41 # B K 12 # LYS 15 3RK1 -10.52 0.7 8.6 # B D 13 # ASP 16 3RK1 -7.55 0.14 10.92 # B S 14 # SER 17 3RK1 2.19 -1.28 14.37 # B V 32 # VAL 35 3RK1 2.47 2.08 12.58 # B T 33 # THR 36 3RK1 1.67 3.39 3.99 # B Y 42 # TYR 47 3RK1 -0.4 6.41 4.88 # B H 43 # HIS 48 3RK1 -5.02 -4.96 8.46 # B A 91 # ALA 96 3RK1 -8.03 -3.14 7.01 # B G 92 # GLY 97 3RK1 -0.72 -3.53 -0.56 # B Q 99 # GLN 104 1JWA 36.58 19.81 24.6 # B G 37 # GLY 38 1JWA 40.32 21.75 21.1 # B G 39 # GLY 40 1JWA 40.77 25.44 20.27 # B G 40 # GLY 41 1JWA 37.16 15.11 28.22 # B L 60 # LEU 61 1JWA 37.5 14.73 24.48 # B D 61 # ASP 62 1JWA 37.32 11.81 22.04 # B F 62 # PHE 63 1JWA 39.31 13.3 19.11 # B D 63 # ASP 64 1JWA 45.32 22.01 10.96 # B S 68 # SER 69 1JWA 44.83 22.21 14.76 # B N 69 # ASN 70 1JWA 45.75 27.64 17.19 # B R 72 # ARG 73 1JWA 45.92 24.8 19.72 # B Q 73 # GLN 74 1JWA 43.94 15.22 22.51 # B K 85 # LYS 86 1JWA 32.35 10.16 24.02 # B L 108 # LEU 109 1JWA 34.6 24.02 25.24 # B C 127 # CYS 128 1JWA 32.76 22.04 22.54 # B T 128 # THR 129 1JWA 31.56 22.82 18.99 # B D 129 # ASP 130 1JWA 28.03 21.43 18.74 # B N 130 # ASN 131 1JWA 26.84 18.25 23.54 # B V 133 # VAL 134 1JWA 35.95 26.54 19.62 # D G 81 # GLY 81 4OTV -26.29 0.69 -46.42 # A H 154 # HIS 154 4OTV -28.21 -2.36 -45.26 # A V 155 # VAL 155 4OTV -30.75 -4.04 -47.56 # A D 156 # ASP 156 4OTV -30.56 -0.94 -49.78 # A G 157 # GLY 157 4OTV -40.0 -3.3 -44.5 # A R 247 # ARG 247 1B0U 48.17 35.44 46.03 # A Y 12 # TYR 16 1B0U 46.85 31.52 49.15 # A H 15 # HIS 19 1B0U 42.46 35.62 50.66 # A V 17 # VAL 21 1B0U 43.77 43.11 60.19 # A S 37 # SER 41 1B0U 44.21 40.14 57.83 # A G 38 # GLY 42 1B0U 40.5 39.77 56.94 # A S 39 # SER 43 1B0U 41.4 41.03 53.44 # A G 40 # GLY 44 1B0U 40.07 44.61 53.44 # A K 41 # LYS 45 1B0U 42.92 46.11 51.46 # A S 42 # SER 46 1B0U 42.87 43.22 48.99 # A T 43 # THR 47 2RSF 4.28 -6.3 -1.5 # A Y 34 # TYR 34 2RSF 6.77 -12.03 -2.98 # A G 36 # GLY 36 2RSF -1.18 -7.09 3.59 # A Y 43 # TYR 43 2RSF 4.9 -2.69 11.2 # A M 64 # MET 64 2RSF 4.71 -9.44 10.93 # A I 66 # ILE 66 2RSF 5.01 -13.23 11.66 # A A 67 # ALA 67 2RSF 9.96 -9.33 12.57 # A F 69 # PHE 69 2RSF 9.67 -4.04 8.96 # A Y 71 # TYR 71 2RSF 10.08 -2.32 3.0 # A Q 80 # GLN 80 2RSF 14.44 -4.43 8.51 # A R 82 # ARG 82 2RSF 18.55 -4.46 0.8 # A R 88 # ARG 88 2RSF 11.57 -5.28 -1.1 # A R 90 # ARG 90 2RSF 5.46 -2.35 -1.89 # A I 92 # ILE 92 2AQX 4.96 47.48 26.29 # A W 17 # TRP 666 2AQX 3.27 45.17 23.79 # A I 18 # ILE 667 2AQX 0.82 46.29 21.1 # A Q 19 # GLN 668 2AQX -0.63 43.38 19.13 # A L 20 # LEU 669 2AQX -3.52 45.02 17.1 # A A 21 # ALA 670 2AQX -4.34 48.76 16.51 # A G 22 # GLY 671 2AQX -1.27 54.25 22.77 # A F 27 # PHE 676 2AQX -5.27 55.07 24.55 # A K 37 # LYS 686 2AQX -8.74 47.28 32.49 # A P 60 # PRO 709 2AQX -6.33 52.79 31.69 # A M 76 # MET 725 2AQX -4.35 50.11 33.55 # A D 77 # ASP 726 2AQX -1.58 48.36 31.8 # A D 78 # ASP 727 2AQX -2.63 44.72 32.02 # A L 79 # LEU 728 2AQX -5.34 39.04 21.45 # A D 90 # ASP 739 2AQX -11.18 39.31 18.58 # A K 92 # LYS 741 2AQX -6.5 39.48 25.88 # A L 229 # LEU 878 2AQX -10.56 44.93 26.01 # A I 243 # ILE 892 2AQX -11.35 47.48 23.28 # A D 244 # ASP 893 2AQX -17.15 49.59 18.43 # A K 247 # LYS 896 3FPB 46.24 3.62 63.1 # A K 205 # LYS 205 3FPB 53.36 15.26 72.79 # A F 487 # PHE 487 3FPB 46.9 14.59 75.1 # A K 492 # LYS 492 3FPB 52.69 19.0 74.92 # A M 494 # MET 494 3FPB 48.75 23.21 74.96 # A K 515 # LYS 515 3FPB 46.37 20.34 74.36 # A G 516 # GLY 516 3FPB 38.86 21.95 66.94 # A R 560 # ARG 560 3FPB 35.45 13.2 59.9 # A N 628 # ASN 628 3FPB 35.66 9.47 56.53 # A R 678 # ARG 678 1KO5 -0.11 -17.13 23.72 # A V 14 # VAL 16 1KO5 0.0 -17.52 19.95 # A S 15 # SER 17 1KO5 -3.53 -17.6 18.57 # A G 16 # GLY 18 1KO5 -5.02 -15.73 21.49 # A S 17 # SER 19 1KO5 -6.04 -12.73 19.4 # A G 18 # GLY 20 1KO5 -3.26 -10.23 20.06 # A K 19 # LYS 21 1KO5 -3.01 -8.94 16.49 # A S 20 # SER 22 1KO5 -6.77 -8.99 15.76 # A A 21 # ALA 23 1KO5 -9.35 -20.77 16.53 # A R 118 # ARG 120 1KO5 -7.84 -20.96 9.16 # A R 122 # ARG 124 1KO5 -16.03 -14.42 23.26 # A Q 156 # GLN 158 1KO5 -16.54 -13.4 19.61 # A P 157 # PRO 159 1KO5 -13.97 -10.88 18.28 # A L 158 # LEU 160 2CBZ -12.22 50.28 -5.66 # A W 12 # TRP 653 2CBZ -18.03 53.6 -4.13 # A T 19 # THR 660 2CBZ -25.74 47.58 5.46 # A V 39 # VAL 680 2CBZ -23.66 48.19 2.32 # A G 40 # GLY 681 2CBZ -23.79 52.01 2.46 # A C 41 # CYS 682 2CBZ -19.97 52.31 2.41 # A G 42 # GLY 683 2CBZ -18.89 52.53 6.09 # A K 43 # LYS 684 2CBZ -15.94 50.16 5.85 # A S 44 # SER 685 2CBZ -14.93 51.81 2.59 # A S 45 # SER 686 2CBZ -14.57 44.55 10.7 # A Q 72 # GLN 713 4BIV -48.93 183.58 25.49 # B N 167 # ASN 360 4BIV -50.95 186.59 26.58 # B A 168 # ALA 361 4BIV -53.67 181.66 26.76 # B R 170 # ARG 363 4BIV -52.72 182.78 30.31 # B Y 171 # TYR 364 4BIV -53.1 190.45 29.81 # B D 193 # ASP 386 4BIV -52.58 186.08 36.6 # B P 196 # PRO 389 4BIV -45.82 186.0 37.2 # B V 198 # VAL 391 4BIV -39.73 182.33 31.97 # B I 206 # ILE 399 4BIV -38.99 176.18 31.28 # B Y 211 # TYR 404 4BIV -42.52 176.91 32.58 # B R 212 # ARG 405 4BIV -43.5 178.48 35.96 # B T 213 # THR 406 4BIV -48.82 177.36 35.39 # B A 216 # ALA 409 4BIV -50.33 172.28 25.42 # B G 222 # GLY 415 4BIV -43.82 173.1 26.45 # B T 224 # THR 417 4BIV -41.84 176.14 27.76 # B G 225 # GLY 418 4BIV -40.22 177.09 24.41 # B L 226 # LEU 419 4BIV -42.15 180.27 23.25 # B G 227 # GLY 420 4BIV -40.48 183.14 25.16 # B L 228 # LEU 421 4BIV -48.37 190.27 32.74 # B L 252 # LEU 445 3D2F 88.5 77.46 187.66 # A G 9 # GLY 10 3D2F 91.74 77.43 185.73 # A N 10 # ASN 11 3D2F 91.39 81.13 184.96 # A N 11 # ASN 12 3D2F 89.09 82.34 187.74 # A N 12 # ASN 13 3D2F 93.88 72.81 188.5 # A K 68 # LYS 69 3D2F 85.88 77.4 180.2 # A G 204 # GLY 205 3D2F 89.52 78.44 180.04 # A H 205 # HIS 206 3D2F 90.82 74.91 179.53 # A S 206 # SER 207 3D2F 87.96 72.32 179.41 # A S 207 # SER 208 3D2F 89.69 79.68 175.9 # A G 233 # GLY 234 3D2F 92.56 87.28 175.03 # A E 271 # GLU 272 3D2F 89.32 87.18 171.16 # A K 274 # LYS 275 3D2F 86.51 88.66 173.37 # A K 275 # LYS 276 3D2F 82.51 87.42 170.11 # A S 278 # SER 279 3D2F 81.31 78.88 180.86 # A G 341 # GLY 342 3D2F 82.95 81.94 179.37 # A G 342 # GLY 343 3D2F 84.09 80.28 176.11 # A T 343 # THR 344 3D2F 80.15 83.01 174.18 # A R 345 # ARG 346 3D2F 82.22 82.44 170.97 # A I 346 # ILE 347 3LL3 -1.77 29.88 -8.66 # A G 253 # GLY 258 3LL3 0.09 33.1 -8.02 # A T 254 # THR 259 3LL3 -2.73 34.7 -10.86 # A G 293 # GLY 298 3LL3 -0.41 37.43 -9.61 # A I 294 # ILE 299 3LL3 -4.85 38.51 -12.61 # A F 296 # PHE 301 3LL3 -4.61 40.15 -9.2 # A N 297 # ASN 302 3LL3 -12.19 37.98 -8.55 # A P 310 # PRO 315 3LL3 -14.56 37.22 -14.25 # A L 314 # LEU 319 3LL3 -4.37 26.09 -8.84 # A G 392 # GLY 399 3LL3 -6.36 29.08 -7.63 # A G 393 # GLY 400 3LL3 -6.32 30.82 -11.02 # A F 394 # PHE 401 2O0H -14.15 -18.78 -12.19 # A I 127 # ILE 127 2O0H -15.62 -15.28 -12.02 # A T 128 # THR 128 2O0H -16.21 -23.96 -12.49 # A V 137 # VAL 137 2O0H -18.02 -26.29 -14.89 # A Q 138 # GLN 138 2O0H -15.67 -27.3 -20.86 # A R 140 # ARG 140 2O0H -10.64 -28.59 -20.47 # A Q 143 # GLN 143 2O0H -9.12 -17.59 -26.46 # A Q 163 # GLN 163 2O0H -9.78 -20.26 -21.54 # A G 165 # GLY 165 2O0H -6.75 -22.55 -21.3 # A K 166 # LYS 166 2O0H -5.0 -20.6 -18.53 # A T 167 # THR 167 2O0H -7.87 -21.56 -16.25 # A T 168 # THR 168 2O0H -3.45 -17.56 -11.59 # A R 202 # ARG 202 2R7L 9.22 20.21 39.17 # A P 140 # PRO 140 2R7L 12.15 12.25 44.43 # A I 154 # ILE 154 2R7L 18.24 11.51 41.96 # A K 156 # LYS 156 2R7L 16.67 6.83 43.41 # A Y 160 # TYR 166 2R7L 12.86 17.71 43.34 # A E 193 # GLU 199 2R7L 9.11 17.73 43.73 # A E 194 # GLU 200 2R7L 7.59 14.3 43.16 # A Y 195 # TYR 201 2R7L 5.0 15.05 40.46 # A V 196 # VAL 202 2R7L 8.16 4.44 30.3 # A R 222 # ARG 228 2R7L 10.75 0.82 34.34 # A E 224 # GLU 230 2R7L 13.73 3.26 37.91 # A Y 247 # TYR 253 2R7L 14.4 1.95 31.79 # A I 249 # ILE 255 2R7L 9.55 13.75 29.16 # A Q 291 # GLN 297 2R7L 3.97 14.12 33.78 # A L 293 # LEU 299 2R7L 11.13 16.46 34.4 # A F 303 # PHE 309 2R7L 13.51 15.64 31.56 # A E 304 # GLU 310 3LEV -11.59 -12.5 -6.4 # A R 5 # ARG 97 3LEV -9.66 -16.58 -4.2 # A L 8 # LEU 100 3LEV -14.89 -25.76 -1.27 # A S 120 # SER 212 3LEV -19.22 -23.3 -1.06 # A K 123 # LYS 215 3LEV -7.42 -35.89 -9.22 # H P 61 # TYR 59 3LEV -7.38 -29.79 -15.36 # H N 64 # SER 62 3LEV -9.98 -32.58 -15.34 # H T 65 # LEU 63 1JKN 246.03 1.25 0.25 # A N 16 # ASN 16 1JKN 262.02 7.94 -6.68 # A R 33 # ARG 33 1JKN 261.39 12.34 -9.68 # A D 35 # ASP 35 1JKN 262.92 12.95 -6.24 # A I 36 # ILE 36 1JKN 263.83 9.79 -2.14 # A A 39 # ALA 39 1JKN 263.6 6.12 -1.25 # A W 40 # TRP 40 1JKN 260.55 4.1 -0.26 # A Q 41 # GLN 41 1JKN 258.79 0.73 -0.47 # A M 42 # MET 42 1JKN 252.66 0.21 -2.29 # A Q 44 # GLN 44 1JKN 249.28 0.77 -3.92 # A G 45 # GLY 45 1JKN 255.37 -1.52 -8.77 # A E 64 # GLU 64 1JKN 249.97 8.78 7.22 # A Y 82 # TYR 82 1JKN 251.02 14.63 3.42 # A F 84 # PHE 84 1JKN 252.15 18.27 3.9 # A P 85 # PRO 85 1JKN 252.61 21.23 -0.52 # A K 87 # LYS 87 1JKN 252.14 17.56 -1.29 # A V 88 # VAL 88 1JKN 248.45 17.46 -0.43 # A R 89 # ARG 89 1JKN 249.92 19.2 -5.11 # A K 91 # LYS 91 1JKN 248.3 15.77 -5.2 # A L 92 # LEU 92 1JKN 248.51 16.18 -9.79 # A Q 95 # GLN 95 1JKN 246.79 13.05 -8.51 # A W 96 # TRP 96 1JKN 246.24 10.17 3.57 # A G 102 # GLY 102 1JKN 246.08 6.42 3.04 # A Q 103 # GLN 103 1JKN 252.06 -3.47 5.29 # A W 107 # TRP 107 1JKN 257.52 4.99 -10.2 # A E 130 # GLU 130 1JKN 261.07 4.27 -9.02 # A F 131 # PHE 131 1JKN 265.8 7.14 4.03 # A L 145 # LEU 145 1JKN 262.12 7.56 4.87 # A T 146 # THR 146 1JKN 260.66 11.0 5.57 # A V 147 # VAL 147 1JKN 259.55 12.43 8.93 # A E 148 # GLU 148 1JKN 255.87 11.95 8.01 # A F 149 # PHE 149 1JKN 256.62 8.35 6.98 # A K 150 # LYS 150 1JKN 257.6 2.52 8.29 # A Y 154 # TYR 154 4USW -20.14 -34.45 -5.81 # A D 47 # ASP 47 4USW -21.74 -37.88 -5.48 # A I 48 # ILE 48 4USW -24.86 -37.17 -3.58 # A S 49 # SER 49 4USW -26.14 -39.96 -1.3 # A G 50 # GLY 50 4USW -23.24 -41.69 0.3 # A F 51 # PHE 51 4USW -23.72 -39.9 3.52 # A T 52 # THR 52 4USW -13.43 -34.73 0.42 # A A 97 # ALA 97 4USW -15.72 -37.62 1.36 # A G 98 # GLY 98 4USW -17.75 -38.54 -1.77 # A D 99 # ASP 99 4USW -23.71 -32.82 -9.21 # A K 136 # LYS 144 4USW -10.2 -26.62 1.92 # A F 327 # PHE 336 4USW -15.51 -23.07 1.72 # A F 329 # PHE 338 4USW -11.5 -30.79 9.09 # A L 336 # LEU 345 4USW -10.94 -39.17 3.99 # A T 395 # THR 405 4USW -14.06 -39.35 6.17 # A V 396 # VAL 406 4USW -21.72 -32.8 7.56 # A N 402 # ASN 412 4USW -23.32 -27.0 8.95 # A R 406 # ARG 416 3WDL 40.59 -27.13 34.24 # A R 14 # ARG 17 3WDL 43.38 -29.69 23.45 # A A 33 # ALA 36 3WDL 43.53 -29.86 27.25 # A H 34 # HIS 37 3WDL 41.75 -34.2 24.5 # A R 36 # ARG 39 3WDL 41.1 -41.27 31.86 # A Y 42 # TYR 45 3WDL 49.64 -25.4 33.9 # A L 80 # LEU 83 3WDL 51.69 -30.87 23.94 # A L 158 # LEU 161 3WDL 52.55 -33.57 14.8 # A G 161 # GLY 164 3WDL 51.86 -36.28 25.15 # A D 178 # ASP 181 3WDL 48.98 -38.24 26.74 # A L 179 # LEU 182 3WDL 47.89 -39.7 23.4 # A N 180 # ASN 183 3WDL 49.45 -39.2 18.26 # A S 183 # SER 186 3WDL 51.71 -38.33 15.35 # A R 184 # ARG 187 3WDL 53.74 -36.25 17.78 # A S 185 # SER 188 3WDL 51.82 -38.82 30.99 # A D 195 # ASP 198 3WDL 50.06 -35.63 32.08 # A N 196 # ASN 199 3WDL 52.39 -32.62 32.0 # A I 197 # ILE 200 4USJ 49.42 34.36 37.81 # D I 22 # ILE 24 4USJ 48.52 32.9 46.48 # D G 50 # GLY 52 4USJ 49.27 29.34 47.51 # D V 51 # VAL 53 4USJ 50.11 26.38 45.22 # D G 52 # GLY 54 4USJ 52.0 20.28 45.7 # D Q 54 # GLN 56 4USJ 57.89 25.4 41.62 # D I 102 # ILE 104 4USJ 55.68 28.48 41.96 # D G 103 # GLY 105 4USJ 56.32 29.47 38.27 # D D 104 # ASP 106 4USJ 52.58 30.1 37.91 # D G 105 # GLY 107 4USJ 49.22 29.01 36.5 # D K 106 # LYS 108 4USJ 43.35 30.0 33.49 # D F 108 # PHE 110 3GBU 28.66 -27.86 18.61 # D N 158 # ASN 162 3GBU 28.82 -34.99 14.64 # D K 185 # LYS 190 3GBU 35.68 -33.11 11.71 # D T 209 # THR 215 3GBU 39.33 -28.81 10.28 # D G 211 # GLY 217 3GBU 40.54 -27.79 6.8 # D P 212 # PRO 218 3GBU 39.19 -33.15 6.46 # D G 214 # GLY 220 3GBU 36.79 -35.38 8.36 # D F 215 # PHE 221 3GBU 39.62 -32.67 2.04 # D S 228 # SER 234 3GBU 39.43 -31.9 -1.67 # D Y 229 # TYR 235 3GBU 39.81 -25.57 -2.94 # D V 231 # VAL 237 3GBU 38.6 -21.23 0.47 # D P 233 # PRO 239 3GBU 34.62 -21.48 5.69 # D T 236 # THR 242 3GBU 31.42 -25.42 6.31 # D A 239 # ALA 245 3GBU 30.37 -27.18 9.49 # D G 240 # GLY 246 3GBU 31.65 -29.16 2.55 # D A 269 # ALA 276 3GBU 34.63 -28.19 0.39 # D A 270 # ALA 277 2V92 24.52 59.71 37.44 # E R 47 # ARG 69 2V92 27.68 54.72 29.44 # E M 62 # MET 84 2V92 29.01 56.37 35.37 # E T 64 # THR 86 2V92 30.36 57.17 38.85 # E I 65 # ILE 87 2V92 32.17 53.81 38.69 # E T 66 # THR 88 2V92 34.08 55.05 35.63 # E D 67 # ASP 89 2V92 29.41 46.75 24.38 # E P 105 # PRO 127 2V92 26.5 49.05 25.33 # E L 106 # LEU 128 2V92 23.47 47.25 26.74 # E V 107 # VAL 129 2V92 24.85 46.9 35.55 # E I 127 # ILE 149 2V92 22.86 49.74 37.24 # E H 128 # HIS 150 2V92 21.99 51.97 34.25 # E R 129 # ARG 151 2V92 19.15 53.11 28.68 # E P 131 # PRO 153 2V92 15.28 52.11 42.29 # E K 147 # LYS 169 2V92 28.14 50.74 45.39 # E S 203 # SER 225 2V92 27.74 55.16 54.86 # E I 217 # ILE 239 2V92 28.51 55.69 48.68 # E S 219 # SER 241 2V92 29.82 56.0 45.13 # E K 220 # LYS 242 2V92 27.07 58.66 44.81 # E F 221 # PHE 243 2V92 29.15 60.67 47.33 # E D 222 # ASP 244 2V92 26.46 66.12 51.66 # E R 246 # ARG 268 2V92 21.99 63.09 57.49 # E F 250 # PHE 272 2V92 21.45 58.4 60.19 # E G 252 # GLY 274 2V92 22.25 55.25 58.27 # E V 253 # VAL 275 2V92 19.21 53.26 57.14 # E L 254 # LEU 276 2V92 17.96 54.59 48.88 # E V 274 # VAL 296 2V92 19.96 51.83 47.14 # E H 275 # HIS 297 2V92 20.58 49.59 50.18 # E R 276 # ARG 298 3AB8 18.42 38.03 4.13 # A A 6 # ALA 6 3AB8 18.41 37.49 7.9 # A T 7 # THR 7 3AB8 20.68 35.86 10.47 # A D 8 # ASP 8 3AB8 18.36 42.06 11.73 # A A 13 # ALA 13 3AB8 16.99 33.47 3.23 # A L 34 # LEU 34 3AB8 19.12 32.21 6.12 # A F 35 # PHE 35 3AB8 22.67 31.08 5.44 # A V 36 # VAL 36 3AB8 26.77 34.51 3.8 # A P 92 # PRO 99 3AB8 23.05 36.08 -0.66 # A I 96 # ILE 103 3AB8 19.41 43.34 4.88 # A L 108 # LEU 115 3AB8 20.14 44.79 8.28 # A G 109 # GLY 116 3AB8 23.08 47.18 8.74 # A R 110 # ARG 117 3AB8 24.7 44.71 11.13 # A S 111 # SER 118 3AB8 23.87 41.36 12.69 # A G 112 # GLY 119 3AB8 24.67 38.72 15.3 # A E 113 # GLU 120 3AB8 28.26 39.89 15.86 # A A 114 # ALA 121 3AB8 27.41 43.37 17.13 # A H 115 # HIS 122 3AB8 28.71 44.47 9.27 # A G 123 # GLY 130 3AB8 30.95 42.82 6.67 # A S 124 # SER 131 3AB8 28.2 40.7 5.12 # A T 125 # THR 132 3AB8 26.1 43.81 4.43 # A A 126 # ALA 133 3AB8 22.11 61.75 -3.46 # A G 153 # GLY 160 3AB8 22.4 62.59 -7.15 # A Y 154 # TYR 161 3AB8 25.58 63.58 -8.96 # A D 155 # ASP 162 3AB8 27.19 59.33 -12.04 # A S 157 # SER 164 3AB8 25.49 54.5 -9.9 # A S 159 # SER 166 3AB8 23.5 57.62 -8.97 # A A 160 # ALA 167 3AB8 20.32 66.42 -3.11 # A V 181 # VAL 188 3AB8 26.34 68.83 -4.11 # A V 183 # VAL 190 3AB8 28.17 65.91 0.21 # A A 217 # ALA 224 3AB8 22.62 56.64 -3.41 # A L 233 # LEU 240 3AB8 25.05 54.76 -5.61 # A G 234 # GLY 241 3AB8 33.52 51.17 -5.32 # A V 237 # VAL 244 3AB8 37.0 51.85 -3.92 # A R 238 # ARG 245 3AB8 34.32 58.16 -0.38 # A S 244 # SER 251 3AB8 31.01 60.0 -0.14 # A T 245 # THR 252 3AB8 28.88 56.83 -0.09 # A A 246 # ALA 253 5I4N -11.23 -11.83 0.88 # A L 15 # LEU 551 5I4N -16.21 -15.86 3.42 # A Q 17 # GLN 553 5I4N -15.6 -16.64 7.06 # A G 18 # GLY 554 5I4N -18.07 -18.31 9.39 # A T 19 # THR 555 5I4N -19.27 -13.53 7.43 # A T 21 # THR 557 5I4N -14.63 -10.33 4.58 # A I 23 # ILE 559 5I4N -10.3 -5.25 7.4 # A L 43 # LEU 579 5I4N -16.12 -8.13 8.51 # A K 45 # LYS 581 5I4N -6.19 -7.51 17.27 # A V 74 # VAL 610 5I4N -10.57 -4.01 12.18 # A Q 90 # GLN 626 5I4N -6.9 -3.3 11.69 # A E 91 # GLU 627 5I4N -5.51 -4.82 8.54 # A F 92 # PHE 628 5I4N -2.67 -7.18 9.42 # A V 93 # VAL 629 5I4N -2.32 -12.27 7.06 # A G 96 # GLY 632 5I4N -3.09 -15.69 8.57 # A S 97 # SER 633 5I4N -12.08 -19.87 18.07 # A N 137 # ASN 673 5I4N -5.93 -19.16 10.62 # A K 141 # LYS 677 5I4N -6.93 -16.77 13.41 # A N 142 # ASN 678 5I4N -2.43 -12.87 12.26 # A L 144 # LEU 680 5I4N -16.49 -14.57 16.1 # A G 165 # GLY 701 5I4N -14.1 -27.99 13.45 # A R 179 # ARG 715 1HP1 -21.08 69.38 16.04 # A R 341 # ARG 375 1HP1 -16.74 73.21 17.02 # A R 345 # ARG 379 1HP1 -10.0 68.86 17.55 # A S 371 # SER 405 1HP1 -14.23 67.75 14.84 # A G 373 # GLY 407 1HP1 -13.01 64.59 16.52 # A G 374 # GLY 408 1HP1 -18.82 62.76 16.8 # A R 376 # ARG 410 1HP1 -12.31 56.91 13.95 # A F 395 # PHE 429 1HP1 -7.45 57.32 16.6 # A N 397 # ASN 431 1HP1 -13.5 70.92 12.79 # A G 424 # GLY 458 1HP1 -4.51 62.41 14.14 # A F 464 # PHE 498 1HP1 -6.48 69.76 11.06 # A D 470 # ASP 504 4DXL -10.59 28.92 3.01 # A V 68 # VAL 72 4DXL -13.11 28.27 5.88 # A P 69 # PRO 73 4DXL -17.09 23.56 6.09 # A R 73 # ARG 77 4DXL -13.46 22.45 5.89 # A N 74 # ASN 78 4DXL -13.04 18.84 4.56 # A L 75 # LEU 79 4DXL -1.44 25.0 0.77 # A K 99 # LYS 103 4DXL -5.22 25.99 -5.76 # A P 102 # PRO 106 4DXL -8.61 26.54 -4.13 # A V 103 # VAL 107 4DXL -11.64 25.34 -6.18 # A A 104 # ALA 108 4DXL -9.17 24.66 -9.02 # A G 105 # GLY 109 4DXL -9.81 21.04 -10.12 # A G 106 # GLY 110 4DXL -6.72 19.63 -8.41 # A M 107 # MET 111 4DXL -8.57 18.26 -5.31 # A A 108 # ALA 112 4DXL -6.74 20.37 -2.69 # A G 109 # GLY 113 4DXL -9.27 19.94 0.1 # A G 110 # GLY 114 4DXL -5.92 18.04 3.08 # A D 113 # ASP 117 4DXL -11.11 12.4 -4.79 # A D 144 # ASP 148 4DXL -17.37 21.03 -8.84 # A T 185 # THR 189 2YWW 33.95 26.83 47.78 # B V 2 # VAL 9 2YWW 30.53 27.9 46.49 # B K 3 # LYS 10 2YWW 30.54 27.54 42.71 # B K 4 # LYS 11 2YWW 28.77 30.33 40.81 # B I 5 # ILE 12 2YWW 33.95 35.04 35.5 # B V 10 # VAL 17 2YWW 39.56 35.5 33.91 # B D 12 # ASP 19 2YWW 43.18 36.07 32.89 # B H 13 # HIS 20 2YWW 35.16 36.73 44.58 # B M 35 # MET 42 2YWW 47.23 33.77 41.79 # B V 40 # VAL 47 2YWW 48.9 31.03 39.67 # B P 41 # PRO 48 2YWW 48.41 30.96 35.91 # B S 42 # SER 49 2YWW 49.98 28.48 33.5 # B K 43 # LYS 50 2YWW 49.38 30.95 30.69 # B K 44 # LYS 51 2YWW 47.01 36.67 37.17 # B K 48 # LYS 55 2YWW 40.34 36.78 38.52 # B I 50 # ILE 57 2YWW 33.93 36.23 39.68 # B K 52 # LYS 59 2YWW 33.14 33.58 30.89 # B N 76 # ASN 83 2YWW 28.08 31.25 33.6 # B I 78 # ILE 85 2YWW 27.26 26.63 36.99 # B G 81 # GLY 88 2YWW 30.69 28.1 31.23 # B V 83 # VAL 90 2YWW 33.81 32.8 26.3 # B K 86 # LYS 93 4DX2 -57.95 49.9 11.69 # A K 45 # LYS 192 4DX2 -56.81 46.07 17.94 # A K 50 # LYS 197 4DX2 -53.23 47.31 21.6 # A L 53 # LEU 200 4DX2 -54.8 44.92 24.12 # A N 54 # ASN 201 4DX2 -53.96 53.27 9.7 # A F 84 # PHE 231 4DX2 -51.97 57.68 12.92 # A Y 89 # TYR 236 4DX2 -48.91 52.96 11.31 # A Q 92 # GLN 239 4DX2 -45.45 47.53 22.93 # A R 101 # ARG 248 2DXI 42.69 77.81 51.6 # A P 8 # PRO 8 2DXI 44.38 79.47 54.58 # A S 9 # SER 9 2DXI 46.38 77.39 59.49 # A T 11 # THR 11 2DXI 39.58 70.59 56.48 # A H 15 # HIS 15 2DXI 34.93 72.13 54.62 # A G 17 # GLY 17 2DXI 37.73 72.98 52.21 # A T 18 # THR 18 2DXI 33.77 74.06 48.74 # A I 21 # ILE 21 2DXI 48.16 81.53 62.8 # A R 47 # ARG 47 2DXI 30.85 79.04 52.29 # A A 206 # ALA 206 2DXI 30.18 82.23 56.61 # A E 208 # GLU 208 2DXI 31.47 84.85 54.1 # A W 209 # TRP 209 2DXI 27.98 75.36 55.9 # A L 235 # LEU 235 2DXI 28.54 71.71 56.77 # A L 236 # LEU 236 2DXI 31.12 71.71 61.67 # A I 244 # ILE 244 3HY2 4.23 -11.96 28.64 # A D 50 # ASP 52 3HY2 8.38 -17.02 34.6 # A K 91 # LYS 93 3IN5 45.2 22.56 74.31 # A A 2 # ALA 26 3IN5 44.0 11.69 71.25 # A D 83 # ASP 107 3IN5 47.43 11.73 69.68 # A M 84 # MET 108 3IN5 49.75 14.56 70.7 # A D 85 # ASP 109 3IN5 50.69 17.26 68.19 # A A 86 # ALA 110 3IN5 49.79 14.67 65.56 # A F 87 # PHE 111 3IN5 50.84 16.03 62.14 # A Y 88 # TYR 112 3IN5 47.18 22.79 60.64 # A S 113 # SER 137 3IN5 49.07 22.17 63.86 # A T 114 # THR 138 3IN5 54.85 21.64 71.55 # A Y 117 # TYR 141 3IN5 53.42 26.22 71.24 # A R 120 # ARG 144 3IN5 44.27 27.8 62.72 # A A 127 # ALA 151 3IN5 44.35 11.14 65.49 # A D 174 # ASP 198 3IN5 41.18 10.49 67.62 # A E 175 # GLU 199 3IN5 48.1 16.47 77.31 # A K 248 # LYS 328 4WH3 56.28 45.09 64.93 # A G 25 # GLY 28 4WH3 56.52 41.31 64.86 # A D 26 # ASP 29 4WH3 53.5 40.5 62.68 # A G 27 # GLY 30 4WH3 53.89 37.64 60.2 # A H 28 # HIS 31 4WH3 50.76 38.0 58.05 # A I 29 # ILE 32 4WH3 50.66 41.6 56.83 # A N 30 # ASN 33 4WH3 53.54 46.54 58.97 # A T 32 # THR 35 4WH3 50.23 52.08 61.42 # A I 43 # ILE 46 4WH3 50.02 47.85 56.46 # A Q 45 # GLN 48 4WH3 41.39 50.1 65.44 # A L 75 # LEU 80 4WH3 45.28 52.71 61.35 # A Y 97 # TYR 102 4WH3 45.86 55.37 63.98 # A K 98 # LYS 103 4WH3 48.75 54.2 66.16 # A F 99 # PHE 104 4WH3 47.43 53.06 69.53 # A I 100 # ILE 105 4WH3 46.63 41.0 69.62 # A N 207 # ASN 213 4WH3 43.8 44.69 67.25 # A I 220 # ILE 227 4WH3 44.48 42.37 64.28 # A D 221 # ASP 228 4WH3 41.68 40.36 59.78 # A D 223 # ASP 230 4K6R 7.25 33.1 -10.18 # A A 9 # ALA 14 4K6R 3.83 31.53 -10.81 # A G 10 # GLY 15 4K6R 1.15 31.49 -8.11 # A P 11 # PRO 16 4K6R 0.36 27.74 -8.65 # A G 12 # GLY 17 4K6R -3.35 28.38 -8.08 # A T 13 # THR 18 4K6R -4.12 24.88 -9.48 # A R 14 # ARG 19 4K6R 7.22 36.46 -8.14 # A G 52 # GLY 57 4K6R 4.09 35.36 -6.37 # A H 53 # HIS 58 4K6R 8.83 39.17 -11.76 # A Q 78 # GLN 83 4K6R 3.42 41.21 -13.38 # A R 80 # ARG 85 4K6R 1.31 38.03 -14.08 # A P 81 # PRO 86 4K6R 2.57 38.19 -17.6 # A L 82 # LEU 87 4K6R 3.77 34.72 -18.58 # A G 83 # GLY 88 4K6R 6.92 32.6 -18.8 # A T 84 # THR 89 4K6R 9.67 35.55 -16.47 # A A 87 # ALA 92 4K6R 0.38 36.32 -21.44 # A E 202 # GLU 207 3LSS 13.34 44.55 113.69 # B R 298 # ARG 295 3LSS 15.82 44.71 118.49 # B E 300 # GLU 297 3LSS 8.12 35.38 120.91 # B F 312 # PHE 309 3LSS 10.61 38.17 120.12 # B R 313 # ARG 310 3LSS 12.37 37.69 116.84 # B V 314 # VAL 311 3LSS 7.73 37.99 111.63 # B F 317 # PHE 314 3LSS -2.96 53.73 123.01 # B K 372 # LYS 369 3LSS -2.71 47.27 124.31 # B D 374 # ASP 371 3LSS 1.31 42.06 124.73 # B E 387 # GLU 384 3LSS -0.13 40.74 121.46 # B L 388 # LEU 385 3LSS -1.67 43.96 120.11 # B V 389 # VAL 386 3LSS -1.32 47.73 120.35 # B S 390 # SER 387 3LSS -2.21 45.2 115.36 # B T 428 # THR 425 3LSS 1.27 39.41 115.05 # B A 431 # ALA 428 3LSS 4.53 34.34 115.78 # B T 433 # THR 430 3LSS 3.34 35.72 119.14 # B R 434 # ARG 431 2DXT -22.83 -10.99 -5.72 # A G 47 # GLY 47 2DXT -23.95 -14.57 -6.33 # A R 48 # ARG 48 2DXT -24.65 -12.36 -1.03 # A R 51 # ARG 51 2DXT -24.09 -8.72 -0.16 # A K 52 # LYS 52 2DXT -21.62 -6.65 -2.1 # A W 53 # TRP 53 2DXT -20.44 -3.56 -0.2 # A E 54 # GLU 54 2DXT -9.44 -15.78 -9.7 # A K 100 # LYS 100 2DXT -15.42 -13.91 -11.83 # A N 103 # ASN 103 2DXT -12.94 -12.09 -9.55 # A A 104 # ALA 104 2DXT -10.18 -9.17 -3.92 # A K 111 # LYS 111 2DXT -12.93 -0.98 -5.47 # A N 131 # ASN 131 2DXT -14.29 -5.14 3.8 # A P 137 # PRO 137 2DXT -10.35 -7.08 0.05 # A A 140 # ALA 140 2DXT -18.47 -22.49 -11.82 # A Y 227 # TYR 227 4WQ4 -25.95 -56.66 44.8 # B M 112 # MET 112 4WQ4 -21.46 -56.54 46.82 # B H 115 # HIS 115 4WQ4 -25.31 -49.09 49.38 # B S 136 # SER 136 4WQ4 -26.4 -45.83 47.71 # B G 137 # GLY 137 4WQ4 -29.9 -47.06 46.9 # B G 138 # GLY 138 4WQ4 -30.17 -50.17 49.09 # B H 139 # HIS 139 4WQ4 -25.59 -44.18 51.39 # B G 163 # GLY 163 4WQ4 -24.81 -39.75 53.77 # B F 166 # PHE 166 4WQ4 -24.61 -38.09 50.33 # B D 167 # ASP 167 4WQ4 -20.48 -39.77 51.93 # B G 180 # GLY 180 4WQ4 -16.72 -40.48 52.33 # B P 181 # PRO 181 4WQ4 -20.28 -48.83 49.6 # B G 268 # GLY 268 4WQ4 -21.19 -47.58 53.09 # B V 269 # VAL 269 4WQ4 -17.16 -46.52 56.55 # B N 272 # ASN 272 4WQ4 -16.94 -51.97 49.13 # B C 298 # CYS 298 4WQ4 -18.23 -50.5 42.71 # B D 300 # ASP 300 4IFE 22.1 36.51 39.81 # A R 21 # ARG 24 4IFE 19.02 35.78 37.74 # A G 22 # GLY 25 4IFE 18.37 39.38 36.78 # A S 23 # SER 26 4IFE 18.3 38.54 33.08 # A G 24 # GLY 27 4IFE 21.0 41.06 32.22 # A K 25 # LYS 28 4IFE 23.22 38.71 30.16 # A S 26 # SER 29 4IFE 20.2 37.57 28.15 # A W 27 # TRP 30 4IFE 27.59 41.43 39.77 # A N 144 # ASN 147 4IFE 12.96 39.51 35.81 # A N 174 # ASN 177 4IFE 10.81 35.25 33.08 # A H 176 # HIS 179 4IFE 13.17 30.4 36.09 # A P 178 # PRO 181 3Q9L 45.49 45.53 15.16 # A K 10 # LYS 11 3Q9L 43.33 48.59 15.76 # A G 11 # GLY 12 3Q9L 43.47 50.81 18.85 # A G 12 # GLY 13 3Q9L 46.76 49.57 20.35 # A V 13 # VAL 14 3Q9L 48.23 53.08 20.67 # A G 14 # GLY 15 3Q9L 49.94 53.97 17.38 # A K 15 # LYS 16 3Q9L 49.03 57.64 17.47 # A T 16 # THR 17 3Q9L 49.77 57.98 21.17 # A T 17 # THR 18 3Q9L 43.72 61.94 14.76 # A N 44 # ASN 45 3Q9L 45.05 50.23 11.57 # A A 122 # ALA 123 3Q9L 47.26 40.27 24.18 # A E 145 # GLU 146 3Q9L 49.26 49.27 27.7 # A R 181 # ARG 182 3Q9L 54.65 51.53 27.84 # A I 210 # ILE 211 3Q9L 52.73 50.81 31.04 # A P 211 # PRO 212 3Q9L 48.97 51.01 31.09 # A E 212 # GLU 213 3Q9L 48.56 54.53 32.48 # A D 213 # ASP 214 3Q9L 47.5 58.88 28.52 # A V 216 # VAL 217 2W5I 16.59 7.73 5.96 # B K 7 # LYS 7 2W5I 12.93 3.57 8.48 # B Q 11 # GLN 11 2W5I 12.72 0.37 6.48 # B H 12 # HIS 12 2W5I 3.94 7.3 12.34 # B K 41 # LYS 41 2W5I 5.54 1.59 8.33 # B N 44 # ASN 44 2W5I 5.37 5.13 -8.52 # B C 65 # CYS 65 2W5I 3.07 9.82 -7.38 # B N 67 # ASN 67 2W5I 7.17 9.13 -11.3 # B Q 69 # GLN 69 2W5I 11.92 5.6 -10.99 # B N 71 # ASN 71 2W5I 12.03 4.36 -5.63 # B A 109 # ALA 109 2W5I 17.67 7.78 -6.99 # B E 111 # GLU 111 2W5I 15.12 6.27 -1.34 # B V 118 # VAL 118 2W5I 11.37 5.73 -0.9 # B H 119 # HIS 119 2W5I 9.3 2.75 0.01 # B F 120 # PHE 120 4G5Y 9.5 11.64 6.84 # A P 35 # PRO 38 4G5Y 12.53 13.61 5.68 # A T 36 # THR 39 4G5Y 15.9 14.88 6.91 # A M 37 # MET 40 4G5Y 14.64 18.13 -3.65 # A H 41 # HIS 44 4G5Y 12.73 13.22 -5.03 # A G 43 # GLY 46 4G5Y 11.16 14.37 -1.71 # A H 44 # HIS 47 4G5Y 6.67 11.64 -1.98 # A L 47 # LEU 50 4G5Y 24.42 16.86 6.91 # A Y 79 # TYR 82 4G5Y 9.33 6.36 1.58 # A F 154 # PHE 157 4G5Y 11.39 6.37 -1.63 # A G 155 # GLY 158 4G5Y 15.9 4.8 -3.72 # A K 157 # LYS 160 4G5Y 16.72 3.71 -0.13 # A D 158 # ASP 161 4G5Y 9.59 5.22 -7.35 # A P 182 # PRO 185 4G5Y 13.02 6.87 -7.49 # A T 183 # THR 186 4G5Y 13.06 10.29 -9.15 # A V 184 # VAL 187 4G5Y 18.19 12.48 -6.98 # A M 192 # MET 195 4G5Y 19.89 12.74 -3.58 # A S 193 # SER 196 4G5Y 20.86 15.57 -1.22 # A S 194 # SER 197 4G5Y 24.34 14.02 -1.35 # A R 195 # ARG 198 3BU5 -6.45 9.25 15.65 # A A 39 # ALA 1028 3BU5 -2.83 13.73 19.03 # A K 41 # LYS 1030 3BU5 7.75 12.95 18.24 # A E 58 # GLU 1047 3BU5 -2.22 9.06 12.56 # A M 87 # MET 1076 3BU5 -3.46 5.58 11.78 # A E 88 # GLU 1077 3BU5 -6.43 4.81 13.99 # A L 89 # LEU 1078 3BU5 -5.78 1.66 16.01 # A M 90 # MET 1079 3BU5 -3.15 -0.06 23.3 # A D 94 # ASP 1083 3BU5 0.84 0.45 26.81 # A R 147 # ARG 1136 3BU5 2.85 1.73 23.81 # A N 148 # ASN 1137 3BU5 -1.32 -0.56 19.6 # A M 150 # MET 1139 3BU5 4.37 6.35 21.12 # A D 161 # ASP 1150 3BU5 7.98 10.28 22.84 # A G 163 # GLY 1152 2YAA -23.77 -15.27 -27.86 # A L 18 # LEU 19 2YAA -26.26 -8.26 -35.41 # A G 21 # GLY 22 2YAA -26.49 -6.75 -38.88 # A Q 22 # GLN 23 2YAA -21.57 -9.52 -37.13 # A A 24 # ALA 25 2YAA -20.68 -13.22 -31.84 # A V 26 # VAL 27 2YAA -16.24 -13.53 -27.14 # A A 39 # ALA 40 2YAA -17.16 -11.18 -32.95 # A K 41 # LYS 42 2YAA -13.8 -9.63 -23.24 # A E 93 # GLU 94 2YAA -19.66 -10.53 -20.88 # A V 95 # VAL 96 2YAA -24.91 3.57 -30.0 # A D 138 # ASP 139 2YAA -20.37 -3.11 -25.68 # A I 159 # ILE 160 2YAA -20.77 -2.64 -29.43 # A D 160 # ASP 161 3ATT 0.14 31.18 75.7 # A T 37 # THR 58 3ATT 1.84 28.22 81.45 # A V 56 # VAL 77 3ATT -1.07 26.75 75.68 # A R 58 # ARG 79 3ATT 9.68 23.28 80.09 # A P 93 # PRO 114 3ATT 3.6 23.49 81.43 # A M 112 # MET 133 3ATT 5.78 24.64 84.27 # A D 113 # ASP 134 3ATT 7.02 28.24 84.14 # A Y 114 # TYR 135 3ATT 10.69 28.73 83.37 # A V 115 # VAL 136 3ATT 13.61 36.31 75.4 # A V 119 # VAL 140 3ATT 11.3 31.36 70.88 # A N 228 # ASN 254 3ATT 14.01 31.68 77.17 # A L 230 # LEU 256 3ATT 9.46 27.17 73.24 # A L 240 # LEU 266 3ATT 6.83 27.36 70.56 # A D 241 # ASP 267 3ATT 3.6 24.63 66.86 # A E 243 # GLU 269 3SEZ 14.88 -70.8 60.23 # A G 366 # GLY 366 3SEZ 18.38 -71.23 58.82 # A V 367 # VAL 367 3SEZ 18.71 -72.64 55.33 # A S 368 # SER 368 3SEZ 21.25 -69.12 52.26 # A G 370 # GLY 370 3SEZ 19.03 -66.3 56.78 # A S 373 # SER 373 3SEZ 16.25 -74.45 62.93 # A F 397 # PHE 397 3SEZ 17.0 -76.38 59.81 # A A 398 # ALA 398 3SEZ 13.71 -77.41 58.25 # A L 399 # LEU 399 3SEZ 8.18 -73.99 57.78 # A R 456 # ARG 462 3SEZ 14.42 -63.16 56.99 # A T 474 # THR 480 2Z1U 15.18 19.28 5.57 # A D 50 # ASP 54 2Z1U 19.82 24.18 11.23 # A D 75 # ASP 79 2Z1U 21.61 19.91 16.73 # A D 214 # ASP 218 2Z1U 18.78 15.04 15.62 # A T 216 # THR 220 2Z1U 19.05 11.66 13.82 # A R 217 # ARG 221 4WC4 69.55 149.96 132.24 # A G 17 # GLY 17 4WC4 67.11 147.89 134.26 # A G 18 # GLY 18 4WC4 63.58 146.73 131.36 # A R 21 # ARG 21 4WC4 80.04 147.57 129.06 # A R 93 # ARG 103 4WC4 76.95 146.22 130.8 # A R 94 # ARG 104 4WC4 75.99 142.66 131.7 # A D 95 # ASP 105 4WC4 69.84 145.53 130.62 # A N 99 # ASN 109 4WC4 82.92 140.49 136.51 # A D 139 # ASP 149 4WC4 77.52 138.52 137.26 # A R 142 # ARG 152 4WC4 73.28 138.14 138.94 # A R 145 # ARG 155 4WC4 67.45 137.6 137.15 # A F 149 # PHE 159 4WC4 62.89 136.86 139.1 # A R 152 # ARG 162 4WC4 80.06 142.22 146.08 # A R 181 # ARG 191 3S3T -16.02 -28.15 44.57 # E P 10 # PRO 11 3S3T -19.59 -26.97 44.08 # E V 11 # VAL 12 3S3T -22.19 -25.4 46.41 # E D 12 # ASP 13 3S3T -20.52 -22.83 41.3 # E A 17 # ALA 18 3S3T -17.54 -32.39 45.38 # E L 38 # LEU 39 3S3T -19.69 -30.36 51.13 # E V 40 # VAL 41 3S3T -16.45 -26.86 53.48 # E P 93 # PRO 95 3S3T -13.13 -25.03 53.02 # E K 94 # LYS 96 3S3T -11.86 -29.21 50.16 # E I 97 # ILE 99 3S3T -13.95 -22.85 41.99 # E L 112 # LEU 114 3S3T -16.63 -20.25 41.46 # E G 113 # GLY 115 3S3T -18.46 -16.47 44.8 # E T 115 # THR 117 3S3T -21.15 -18.79 46.13 # E G 116 # GLY 118 3S3T -24.48 -18.68 47.95 # E T 117 # THR 119 3S3T -23.85 -15.98 50.57 # E N 118 # ASN 120 3S3T -21.73 -13.05 49.5 # E S 119 # SER 121 3S3T -15.8 -15.6 48.66 # E G 126 # GLY 128 3S3T -14.06 -16.91 51.73 # E S 127 # SER 129 3S3T -14.15 -20.55 50.62 # E T 128 # THR 130 3S3T -12.37 -19.67 47.38 # E T 129 # THR 131 3VX4 43.57 -0.95 11.83 # D Y 17 # TYR 537 3VX4 50.15 1.58 10.81 # D T 23 # THR 543 3VX4 54.78 13.54 7.39 # D A 42 # ALA 562 3VX4 51.01 13.69 7.11 # D S 43 # SER 563 3VX4 49.82 10.08 7.32 # D G 44 # GLY 564 3VX4 52.94 8.74 9.22 # D S 45 # SER 565 3VX4 50.99 7.58 12.32 # D G 46 # GLY 566 3VX4 51.31 10.45 14.81 # D K 47 # LYS 567 3VX4 47.61 10.55 15.75 # D T 48 # THR 568 3VX4 47.51 6.71 15.89 # D T 49 # THR 569 3VX4 43.06 17.41 15.74 # D Q 89 # GLN 609 3VX4 30.17 31.13 16.65 # D G 144 # GLY 664 3VX4 33.86 32.14 16.75 # D I 145 # ILE 665 3VX4 36.99 31.82 14.57 # D S 146 # SER 666 3VX4 38.83 28.48 14.01 # D G 147 # GLY 667 3VX4 41.77 29.58 16.17 # D G 148 # GLY 668 3VX4 39.42 30.74 18.88 # D Q 149 # GLN 669 3VX4 44.83 27.39 13.43 # D S 174 # SER 694 3VX4 53.97 20.09 11.74 # D H 200 # HIS 720 4OZN -47.88 38.84 -20.84 # A I 14 # ILE 18 4OZN -37.2 26.86 -20.41 # A S 34 # SER 38 4OZN -39.56 29.4 -18.83 # A L 35 # LEU 39 4OZN -40.32 31.32 -15.64 # A T 36 # THR 40 4OZN -52.62 44.73 -15.73 # A G 42 # GLY 46 4OZN -54.42 46.72 -18.4 # A R 43 # ARG 47 4OZN -53.69 47.73 -22.0 # A G 44 # GLY 48 4OZN -54.54 50.85 -24.0 # A S 45 # SER 49 4OZN -52.57 37.68 -16.5 # A K 62 # LYS 69 4OZN -40.09 34.77 -19.31 # A E 66 # GLU 73 4OZN -37.71 32.83 -21.56 # A C 67 # CYS 74 4OZN -34.02 33.6 -21.78 # A V 68 # VAL 75 4OZN -58.62 42.28 -26.7 # A K 90 # LYS 97 4OZN -56.6 40.96 -23.75 # A G 91 # GLY 98 4OZN -54.28 38.66 -25.74 # A D 92 # ASP 99 4OZN -51.29 40.54 -24.33 # A G 93 # GLY 100 4OZN -47.86 41.42 -25.67 # A K 94 # LYS 101 4OZN -25.66 28.59 -14.58 # A Q 105 # GLN 112 4OZN -25.26 24.47 -10.78 # A R 107 # ARG 114 4BJR 34.74 7.23 41.26 # A I 10 # ILE 12 4BJR 34.43 6.32 34.35 # A G 12 # GLY 14 4BJR 33.97 4.8 30.92 # A I 13 # ILE 15 4BJR 36.05 5.26 27.8 # A E 14 # GLU 16 4BJR 36.28 14.32 27.4 # A R 58 # ARG 60 4BJR 38.41 13.54 21.25 # A Y 60 # TYR 62 4BJR 36.29 8.66 21.65 # A E 68 # GLU 70 4BJR 32.7 9.95 30.72 # A T 71 # THR 73 4BJR 32.91 12.52 33.4 # A A 72 # ALA 74 4BJR 33.67 11.08 36.81 # A E 73 # GLU 75 4BJR 38.0 2.97 35.17 # A N 130 # ASN 132 4BJR 39.04 4.47 41.76 # A L 132 # LEU 134 4BJR 45.16 8.23 38.99 # A P 200 # PRO 210 4BJR 43.83 11.66 38.04 # A H 201 # HIS 211 4BJR 43.52 11.94 41.79 # A A 202 # ALA 212 4BJR 43.04 4.26 39.06 # A R 209 # ARG 219 4BJR 34.45 16.72 40.78 # A R 408 # ARG 418 4BJR 40.88 15.92 34.72 # A W 430 # TRP 440 4BJR 37.53 13.66 42.52 # A P 448 # PRO 458 4A2A 4.26 1.91 21.45 # B G 10 # GLY 16 4A2A 3.18 0.29 18.21 # B S 11 # SER 17 4A2A 1.41 3.49 17.13 # B R 12 # ARG 18 4A2A 3.35 6.19 18.94 # B Y 13 # TYR 19 4A2A 6.25 8.87 23.76 # B K 15 # LYS 21 4A2A 4.85 -3.6 24.86 # B S 75 # SER 84 4A2A -6.22 -0.05 25.73 # B L 204 # LEU 213 4A2A -3.22 -0.13 23.43 # B G 205 # GLY 214 4A2A -2.91 -0.38 19.65 # B Y 206 # TYR 215 4A2A -7.49 0.03 19.19 # B M 229 # MET 238 4A2A -9.8 1.85 13.61 # B I 233 # ILE 242 4A2A -8.42 7.37 13.43 # B E 248 # GLU 257 4A2A -10.22 10.7 18.18 # B I 252 # ILE 261 4A2A -3.6 3.86 27.18 # B G 323 # GLY 336 4A2A -4.95 5.59 24.09 # B G 324 # GLY 337 4A2A -8.36 3.95 24.15 # B G 325 # GLY 338 4A2A -9.56 8.65 26.22 # B K 327 # LYS 340 4A2A -12.64 7.63 24.2 # B I 328 # ILE 341 4A2A -1.18 7.8 26.89 # B S 367 # SER 380 4CW7 -36.19 6.52 23.05 # A P 11 # PRO 9 4CW7 -32.69 5.3 22.16 # A G 12 # GLY 10 4CW7 -32.6 2.63 24.89 # A V 13 # VAL 11 4CW7 -32.72 -0.23 22.38 # A G 14 # GLY 12 4CW7 -36.43 -1.16 22.26 # A K 15 # LYS 13 4CW7 -36.35 -2.11 18.56 # A T 16 # THR 14 4CW7 -33.03 -3.99 18.65 # A T 17 # THR 15 4CW7 -27.28 7.78 21.05 # A R 98 # ARG 96 4CW7 -29.23 10.7 15.67 # A R 102 # ARG 100 4CW7 -24.73 -5.58 27.97 # A K 140 # LYS 138 4CW7 -25.06 -7.0 24.46 # A T 141 # THR 139 4CW7 -28.47 -7.54 22.86 # A P 142 # PRO 140 4CW7 -30.21 -8.76 27.44 # A I 145 # ILE 143 1XEX 86.11 -72.66 -9.07 # A K 12 # LYS 13 1XEX 86.45 -69.22 -10.75 # A S 13 # SER 14 1XEX 80.74 -56.92 -8.56 # A A 33 # ALA 34 1XEX 77.98 -59.54 -8.6 # A N 34 # ASN 35 1XEX 79.31 -62.84 -10.01 # A G 35 # GLY 36 1XEX 82.99 -61.93 -9.58 # A S 36 # SER 37 1XEX 83.95 -64.67 -7.17 # A G 37 # GLY 38 1XEX 83.33 -63.37 -3.64 # A K 38 # LYS 39 1XEX 81.32 -66.36 -2.36 # A S 39 # SER 40 1XEX 83.76 -68.77 -4.05 # A N 40 # ASN 41 1XEX 76.77 -75.11 -5.05 # A R 58 # ARG 59 1XEX 82.63 -79.37 -10.56 # A D 64 # ASP 65 1XEX 87.52 -77.61 -10.62 # A I 66 # ILE 67 1XEX 88.19 -74.56 -12.79 # A F 67 # PHE 68 1XEX 86.25 -74.67 -16.07 # A A 68 # ALA 69 1XEX 74.68 -66.45 1.27 # A Q 144 # GLN 145 3E1Y -34.07 110.67 19.25 # B E 49 # GLU 55 3E1Y -37.88 107.16 20.37 # B T 52 # THR 58 3E1Y -35.12 105.43 22.4 # B A 53 # ALA 59 3E1Y -36.03 100.54 23.24 # B I 56 # ILE 62 3E1Y -10.17 122.77 9.09 # B K 112 # LYS 118 3E1Y -13.77 123.2 7.92 # B P 113 # PRO 119 3E1Y -17.94 118.91 6.04 # B N 115 # ASN 121 4OHW -0.24 10.18 -1.51 # A E 13 # GLU 16 4OHW 2.63 14.32 1.95 # A R 15 # ARG 18 4OHW -7.08 18.0 -2.9 # A F 36 # PHE 39 4OHW 1.26 21.44 3.85 # A R 53 # ARG 56 4OHW 0.25 19.46 0.79 # A V 54 # VAL 57 4OHW -0.88 15.99 -0.26 # A A 55 # ALA 58 4OHW -10.75 21.78 14.76 # A T 116 # THR 123 4OHW -7.84 20.17 12.86 # A D 117 # ASP 124 4OHW -9.73 17.31 11.17 # A V 118 # VAL 125 4OHW -9.25 18.48 7.56 # A G 119 # GLY 126 4OHW -12.79 19.81 7.12 # A K 120 # LYS 127 4OHW -11.69 22.54 4.67 # A T 121 # THR 128 4OHW -9.6 19.99 2.72 # A T 122 # THR 129 4OHW -10.88 30.68 9.29 # A Q 147 # GLN 154 4OHW -6.69 11.87 7.36 # A S 275 # SER 282 4OHW -1.88 13.88 7.05 # A G 277 # GLY 284 4OHW -3.77 16.5 9.06 # A V 278 # VAL 285 4OHW -2.67 23.87 14.83 # A R 281 # ARG 288 4OHW -4.42 30.29 13.49 # A R 286 # ARG 293 4C0B -17.27 -29.41 -12.34 # B D 17 # ASP 33 4C0B -14.11 -33.5 -14.71 # B Q 19 # GLN 35 4C0B -9.72 -28.28 -4.49 # B F 40 # PHE 56 4C0B -7.64 -37.09 -12.34 # B K 56 # LYS 72 4C0B -9.29 -33.92 -10.84 # B F 57 # PHE 73 4C0B -12.25 -31.45 -11.12 # B P 58 # PRO 74 4C0B -13.78 -45.87 2.9 # B G 115 # GLY 131 4C0B -11.79 -46.24 -0.35 # B S 116 # SER 132 4C0B -12.39 -43.14 -2.63 # B Q 117 # GLN 133 4C0B -15.07 -41.54 -0.4 # B T 118 # THR 134 4C0B -13.38 -38.12 -1.02 # B G 119 # GLY 135 4C0B -11.14 -37.93 2.08 # B K 120 # LYS 136 4C0B -8.08 -36.36 0.41 # B T 121 # THR 137 4C0B -10.31 -34.03 -1.7 # B S 122 # SER 138 4C0B -1.68 -42.68 4.49 # B D 145 # ASP 161 4C0B -8.86 -46.19 3.92 # B S 238 # SER 254 4C0B -20.27 -35.71 -5.92 # B D 295 # ASP 311 4C0B -17.61 -36.42 -8.53 # B G 296 # GLY 312 4C0B -15.26 -38.46 -6.29 # B V 297 # VAL 313 4C0B -14.07 -41.23 -8.7 # B S 298 # SER 314 4C0B -8.75 -45.06 -8.13 # B V 300 # VAL 316 4C0B -2.88 -44.73 -11.08 # B Y 304 # TYR 320 2VHT 83.84 57.9 8.34 # A S 134 # SER 134 2VHT 84.5 54.24 7.37 # A G 135 # GLY 135 2VHT 82.98 51.4 9.39 # A K 136 # LYS 136 2VHT 85.15 48.41 8.41 # A T 137 # THR 137 2VHT 88.46 49.89 9.62 # A P 138 # PRO 138 2VHT 75.71 50.48 6.62 # A N 223 # ASN 234 2VHT 73.85 49.57 27.67 # A R 261 # ARG 272 2VHT 66.91 48.63 33.53 # A G 265 # GLY 276 2VHT 70.2 50.35 34.34 # A L 266 # LEU 277 2VHT 71.63 53.62 33.0 # A Q 267 # GLN 278 2VHT 94.67 55.98 10.07 # A Y 277 # TYR 288 2VHT 94.32 51.92 6.12 # A S 281 # SER 292 2VHT 66.42 59.25 26.83 # A N 294 # ASN 318 1SVM 113.28 42.99 74.14 # C L 133 # LEU 397 1SVM 122.31 46.29 48.61 # C K 154 # LYS 418 1SVM 102.26 38.13 66.52 # C I 164 # ILE 428 1SVM 103.08 40.5 69.4 # C D 165 # ASP 429 1SVM 106.83 39.8 69.49 # C S 166 # SER 430 1SVM 107.93 43.45 69.32 # C G 167 # GLY 431 1SVM 108.56 44.02 65.59 # C K 168 # LYS 432 1SVM 106.28 47.05 65.22 # C T 169 # THR 433 1SVM 107.17 48.45 68.64 # C T 170 # THR 434 1SVM 103.64 43.98 58.22 # C D 210 # ASP 474 1SVM 105.23 37.34 60.32 # C N 265 # ASN 529 1SVM 118.51 42.7 49.86 # C R 276 # ARG 540 1SVM 110.27 36.26 70.2 # C R 284 # ARG 548 1SVM 107.32 36.63 72.6 # C P 285 # PRO 549 1SVM 108.31 36.66 76.29 # C K 286 # LYS 550 1SVM 107.62 41.32 79.01 # C L 289 # LEU 553 1SVM 103.4 45.64 80.8 # C L 293 # LEU 557 1SVM 101.67 51.64 76.45 # C L 300 # LEU 564 3TO3 -0.91 -32.32 26.06 # B G 150 # GLY 157 3TO3 -4.29 -30.72 25.71 # B H 151 # HIS 158 3TO3 3.5 -28.15 33.73 # B S 271 # SER 280 3TO3 7.61 -24.91 35.81 # B R 272 # ARG 282 3TO3 6.72 -27.48 38.45 # B T 273 # THR 283 3TO3 6.69 -24.44 41.29 # B K 286 # LYS 296 3TO3 4.14 -18.94 33.07 # B R 298 # ARG 308 3TO3 -5.85 -36.53 32.04 # B N 374 # ASN 385 3TO3 -8.17 -40.41 28.45 # B Y 377 # TYR 388 3TO3 -9.56 -29.54 34.95 # B H 425 # HIS 436 3TO3 -7.52 -32.62 34.13 # B G 426 # GLY 437 3TO3 -4.09 -31.41 35.2 # B Q 427 # GLN 438 3TO3 -2.94 -26.1 42.09 # B D 444 # ASP 456 3TO3 -4.45 -19.48 41.04 # B E 447 # GLU 459 1XSC -8.05 -8.96 -30.01 # A A 36 # ALA 36 1XSC -7.83 -10.35 -33.54 # A S 37 # SER 37 1XSC -7.48 -13.86 -32.08 # A D 38 # ASP 38 1XSC -7.15 -15.95 -28.94 # A G 39 # GLY 39 1XSC -9.78 -15.27 -26.28 # A I 40 # ILE 40 1XSC -10.28 -10.15 -25.01 # A H 42 # HIS 42 1XSC -8.02 -4.05 -24.18 # A T 44 # THR 44 1XSC -1.16 -1.02 -26.14 # A K 47 # LYS 47 1XSC 5.81 -2.0 -27.33 # A H 49 # HIS 49 1XSC 0.23 -4.12 -15.75 # A L 85 # LEU 85 1XSC 2.23 -10.36 -16.5 # A Y 87 # TYR 87 1XSC 3.77 -13.07 -18.66 # A V 88 # VAL 88 1XSC 1.59 -13.5 -21.74 # A A 89 # ALA 89 1XSC 2.93 -16.25 -24.03 # A R 90 # ARG 90 1XSC 4.91 -7.48 -20.45 # A K 94 # LYS 94 1XSC -3.74 -6.68 -33.67 # A E 115 # GLU 115 1XSC -7.37 -5.53 -33.45 # A H 116 # HIS 116 1XSC -8.71 -9.62 -17.13 # A F 133 # PHE 133 1XSC -5.48 -6.21 -14.4 # A E 135 # GLU 135 1XSC -7.53 -4.28 -16.96 # A M 136 # MET 136 2X0Q 25.52 6.54 12.61 # A G 154 # GLY 161 2X0Q 25.23 7.86 9.09 # A H 155 # HIS 162 2X0Q 29.66 3.53 8.64 # A N 161 # ASN 168 2X0Q 29.76 11.4 17.22 # A Q 276 # GLN 283 2X0Q 32.61 12.38 14.83 # A S 277 # SER 284 2X0Q 37.87 13.12 16.89 # A R 279 # ARG 286 2X0Q 35.95 16.16 18.18 # A T 280 # THR 287 2X0Q 38.68 18.92 17.06 # A K 293 # LYS 300 2X0Q 36.0 5.76 9.39 # A N 300 # ASN 307 2X0Q 33.28 5.89 6.74 # A M 301 # MET 308 2X0Q 40.17 11.18 10.1 # A R 305 # ARG 312 2X0Q 34.79 25.47 17.7 # A R 372 # ARG 379 2X0Q 20.67 12.62 13.98 # A A 389 # ALA 396 2X0Q 23.58 15.84 7.38 # A H 442 # HIS 449 2X0Q 25.88 15.05 12.52 # A E 444 # GLU 451 2X0Q 26.49 18.59 11.19 # A N 445 # ASN 452 2X0Q 31.84 21.67 10.12 # A D 462 # ASP 469 2X0Q 36.05 21.82 5.23 # A E 465 # GLU 472 2X0Q 32.59 21.4 3.75 # A E 466 # GLU 473 1YFR 124.67 9.09 38.88 # A R 85 # ARG 85 1YFR 127.74 7.7 37.07 # A H 86 # HIS 86 1YFR 128.34 8.3 33.36 # A H 87 # HIS 87 1YFR 129.54 19.81 32.46 # A M 92 # MET 92 1YFR 129.36 22.91 46.81 # A E 174 # GLU 174 1YFR 125.47 17.68 44.7 # A E 191 # GLU 191 1YFR 130.81 22.67 42.39 # A N 194 # ASN 194 1YFR 131.13 22.49 37.21 # A G 219 # GLY 219 1YFR 126.34 18.42 35.9 # A G 221 # GLY 221 1YFR 122.42 15.58 37.3 # A R 224 # ARG 224 1YFR 120.01 10.7 35.53 # A N 235 # ASN 235 2OOY 30.53 32.93 24.59 # E R 140 # ARG 141 2OOY 35.41 32.29 28.15 # E Q 162 # GLN 163 2OOY 26.75 47.45 32.18 # E T 190 # THR 191 2OOY 19.22 46.39 33.14 # E L 194 # LEU 195 2OOY 16.83 43.72 32.06 # E A 195 # ALA 196 2OOY 21.41 38.62 23.84 # E N 214 # ASN 215 2OOY 22.38 37.66 27.37 # E I 215 # ILE 216 2OOY 23.0 34.33 29.15 # E S 216 # SER 217 2OOY 21.25 35.26 32.39 # E A 217 # ALA 218 2OOY 18.9 38.79 37.56 # E P 219 # PRO 220 2OOY 29.47 32.86 35.22 # E H 288 # HIS 289 2OOY 28.56 36.4 36.11 # E R 289 # ARG 290 2OOY 26.46 43.56 35.91 # E I 302 # ILE 303 2OOY 30.34 39.91 32.88 # E S 304 # SER 305 2OOY 32.93 37.47 31.77 # E L 305 # LEU 306 2OOY 32.88 38.86 28.29 # E A 306 # ALA 307 2OOY 33.04 42.29 29.92 # E D 307 # ASP 308 3J2T -44.99 -27.6 -1.75 # B V 21 # VAL 125 3J2T -43.59 -31.1 -1.0 # B F 22 # PHE 126 3J2T -43.95 -34.6 -0.05 # B V 23 # VAL 127 3J2T -39.8 -38.98 0.26 # B R 25 # ARG 129 3J2T -30.8 -32.04 -13.75 # B M 51 # MET 155 3J2T -35.45 -28.29 -12.18 # B G 53 # GLY 157 3J2T -35.99 -32.0 -11.51 # B C 54 # CYS 158 3J2T -35.8 -32.0 -7.69 # B G 55 # GLY 159 3J2T -32.09 -32.83 -7.19 # B K 56 # LYS 160 3J2T -31.71 -30.41 -4.28 # B S 57 # SER 161 3J2T -35.24 -31.24 -3.15 # B V 58 # VAL 162 3J2T -44.9 -40.39 -5.31 # B L 182 # LEU 286 3J2T -49.08 -31.6 -3.58 # B I 190 # ILE 294 3J2T -44.44 -34.31 -8.72 # B P 217 # PRO 321 3J2T -42.83 -32.54 -11.73 # B L 218 # LEU 322 3J2T -46.49 -28.79 -10.19 # B S 221 # SER 325 3J2T -34.01 -23.37 -15.35 # B D 256 # ASP 360 2FGH 38.25 77.67 50.33 # B R 329 # ARG 363 2FGH 39.22 83.42 57.24 # B N 334 # ASN 368 2FGH 40.65 80.14 56.22 # B W 335 # TRP 369 2FGH 43.61 79.03 58.34 # B R 336 # ARG 370 2FGH 45.39 75.76 59.0 # B D 337 # ASP 371 2FGH 44.76 98.53 50.69 # B K 469 # LYS 503 2FGH 52.95 96.78 57.57 # B R 508 # ARG 542 2FGH 50.95 86.06 57.38 # B R 595 # ARG 629 2FGH 50.76 83.89 54.34 # B L 596 # LEU 630 2FGH 45.02 82.48 46.04 # B H 604 # HIS 638 1H4Q 13.99 111.84 105.28 # A R 130 # ARG 142 1H4Q 13.43 117.83 107.9 # A E 132 # GLU 144 1H4Q 22.11 120.26 101.12 # A L 139 # LEU 151 1H4Q 19.31 119.07 103.35 # A R 140 # ARG 152 1H4Q 15.68 118.62 102.31 # A T 141 # THR 153 1H4Q 15.62 114.46 97.49 # A F 144 # PHE 156 1H4Q 19.69 110.3 94.32 # A W 146 # TRP 158 1H4Q 30.16 114.07 102.35 # A Q 213 # GLN 225 1H4Q 29.78 113.76 98.57 # A A 214 # ALA 226 1H4Q 29.1 110.04 98.46 # A G 215 # GLY 227 1H4Q 29.18 106.88 100.56 # A T 216 # THR 228 1H4Q 28.86 100.64 102.63 # A H 218 # HIS 230 1H4Q 24.56 106.26 97.08 # A G 248 # GLY 260 1H4Q 22.33 112.45 95.93 # A S 250 # SER 262 1H4Q 23.7 117.15 97.4 # A R 252 # ARG 264 4LYA 19.19 29.41 10.52 # A P 6 # PRO 956 4LYA 7.18 23.01 0.5 # A S 52 # SER 1002 4LYA 7.54 19.93 2.7 # A A 53 # ALA 1003 4LYA 10.15 20.24 5.44 # A G 54 # GLY 1004 4LYA 10.53 24.01 5.42 # A Y 55 # TYR 1005 4LYA 8.68 24.75 8.65 # A G 56 # GLY 1006 4LYA 4.93 25.09 8.05 # A K 57 # LYS 1007 4LYA 3.8 23.18 11.15 # A S 58 # SER 1008 4LYA 6.71 24.59 13.18 # A T 59 # THR 1009 4LYA 13.68 25.78 7.15 # A P 224 # PRO 1182 4LYA 12.06 28.71 8.95 # A G 225 # GLY 1183 4LYA 13.52 33.86 9.99 # A Q 238 # GLN 1196 4LYA 10.59 32.4 11.94 # A I 239 # ILE 1197 4LYA 11.37 28.17 17.01 # A L 241 # LEU 1199 4LYA 14.36 18.8 17.28 # A D 248 # ASP 1206 4LYA -34.44 -9.15 15.97 # A S 324 # SER 1286 4LYA -31.74 -8.56 18.59 # A R 325 # ARG 1287 4LYA -31.87 -4.76 18.53 # A K 326 # LYS 1288 4LYA -32.54 -3.74 22.13 # A G 327 # GLY 1289 4LYA -36.23 -4.34 22.83 # A K 328 # LYS 1290 4LYA -35.8 -6.16 26.16 # A T 329 # THR 1291 4LYA -33.15 -3.66 27.27 # A N 330 # ASN 1292 4LYA -36.77 -16.07 26.28 # A D 354 # ASP 1316 4LYA -27.93 -2.34 20.23 # A P 486 # PRO 1459 4LYA -27.31 0.89 22.1 # A G 487 # GLY 1460 4LYA -30.04 3.98 24.89 # A I 502 # ILE 1475 4LYA -28.15 3.09 28.09 # A P 503 # PRO 1476 4LYA -27.24 -0.54 28.75 # A K 504 # LYS 1477 2FAQ 16.55 19.48 26.42 # A F 62 # PHE 604 2FAQ 7.62 15.8 27.44 # A H 109 # HIS 651 2FAQ -0.51 26.01 30.79 # A D 127 # ASP 669 2FAQ 1.96 30.37 34.41 # A D 129 # ASP 671 2FAQ 2.7 20.69 36.49 # A S 162 # SER 704 2FAQ 6.3 23.16 39.22 # A G 164 # GLY 706 2FAQ 4.22 26.2 40.03 # A K 165 # LYS 707 2FAQ 1.16 25.95 37.79 # A G 166 # GLY 708 2FAQ -1.96 22.19 33.02 # A H 168 # HIS 710 2FAQ 3.13 24.78 23.6 # A R 220 # ARG 762 2FAQ 5.72 19.51 24.07 # A S 226 # SER 768 2FAQ 4.34 19.34 27.6 # A T 227 # THR 769 2FAQ 10.38 17.17 37.3 # A R 234 # ARG 776 2FAQ 13.56 20.17 40.62 # A R 236 # ARG 778 2Y27 -27.29 65.41 31.47 # B K 65 # LYS 68 2Y27 -25.28 56.12 26.94 # B S 89 # SER 93 2Y27 -28.2 53.75 26.27 # B S 90 # SER 94 2Y27 -30.85 56.36 25.26 # B G 91 # GLY 95 2Y27 -33.16 55.37 28.1 # B T 92 # THR 96 2Y27 -34.21 58.96 28.88 # B T 93 # THR 97 2Y27 -23.24 50.69 25.0 # B F 137 # PHE 141 2Y27 -26.3 45.29 36.67 # B G 207 # GLY 213 2Y27 -27.45 47.99 34.25 # B A 208 # ALA 214 2Y27 -30.83 48.29 35.99 # B E 209 # GLU 215 2Y27 -32.45 48.12 39.43 # B P 210 # PRO 216 2Y27 -24.83 43.82 41.94 # B D 227 # ASP 235 2Y27 -22.43 45.8 39.64 # B I 228 # ILE 236 2Y27 -23.15 49.49 39.01 # B Y 229 # TYR 237 2Y27 -22.02 51.96 36.41 # B G 230 # GLY 238 2Y27 -22.93 54.74 34.07 # B L 231 # LEU 239 2Y27 -21.36 55.78 30.81 # B S 232 # SER 240 2Y27 -29.89 57.65 40.44 # B D 296 # ASP 305 2Y27 -30.4 51.78 43.63 # B I 312 # ILE 323 2Y27 -33.88 56.78 38.61 # B R 315 # ARG 326 2Y27 -32.59 47.08 30.4 # B K 409 # LYS 422 1F9A 43.35 -9.75 6.56 # D I 5 # ILE 5 1F9A 45.74 -10.49 9.42 # D I 6 # ILE 6 1F9A 48.46 -13.05 9.86 # D G 7 # GLY 7 1F9A 51.98 -13.58 11.15 # D R 8 # ARG 8 1F9A 53.47 -14.24 7.7 # D F 9 # PHE 9 1F9A 54.03 -18.33 1.12 # D H 13 # HIS 13 1F9A 48.92 -16.3 1.12 # D H 16 # HIS 16 1F9A 38.77 -17.0 2.95 # D P 116 # PRO 116 1F9A 39.43 -20.1 0.84 # D E 117 # GLU 117 1F9A 42.29 -22.44 1.71 # D M 118 # MET 118 1F9A 44.73 -23.31 -1.06 # D F 119 # PHE 119 1F9A 47.03 -26.2 2.95 # D R 121 # ARG 121 1F9A 51.18 -23.8 1.92 # D Y 124 # TYR 124 1F9A 51.47 -23.28 5.66 # D S 125 # SER 125 1F9A 54.07 -21.37 7.7 # D G 126 # GLY 126 1F9A 54.49 -24.22 10.2 # D T 127 # THR 127 1F9A 59.65 -23.62 8.84 # D R 130 # ARG 130 3BG5 89.63 38.96 4.95 # A K 117 # LYS 152 3BG5 99.96 44.63 -2.51 # A M 157 # MET 192 3BG5 96.42 44.66 2.91 # A K 159 # LYS 194 3BG5 98.02 39.64 -2.66 # A E 194 # GLU 236 3BG5 99.24 39.78 -6.24 # A R 195 # ARG 237 3BG5 98.33 43.37 -7.23 # A Y 196 # TYR 238 3BG5 96.23 43.09 -10.38 # A I 197 # ILE 239 3BG5 85.59 46.57 -9.82 # A H 202 # HIS 244 3BG5 87.62 55.42 -7.79 # A Q 226 # GLN 268 3BG5 91.15 53.66 -1.88 # A H 229 # HIS 271 3BG5 84.87 54.75 -4.22 # A K 231 # LYS 273 3BG5 82.86 41.96 -4.52 # A E 269 # GLU 311 3BG5 87.86 42.34 -9.57 # A L 271 # LEU 313 3BG5 85.51 40.38 -0.18 # A E 281 # GLU 324 3BG5 80.04 43.08 2.76 # A N 283 # ASN 326 2IVP -19.89 4.53 -1.74 # A T 9 # THR 9 2IVP -19.24 6.92 -4.66 # A A 10 # ALA 10 2IVP -25.89 0.35 0.05 # A H 107 # HIS 107 2IVP -33.07 0.92 -7.91 # A Y 127 # TYR 127 2IVP -28.6 5.38 -10.34 # A S 129 # SER 129 2IVP -25.28 6.33 -11.97 # A G 130 # GLY 130 2IVP -23.35 3.19 -11.06 # A G 131 # GLY 131 2IVP -26.14 0.74 -10.24 # A N 132 # ASN 132 2IVP -27.54 6.96 -14.88 # A G 155 # GLY 155 2IVP -24.31 10.76 -18.41 # A D 159 # ASP 159 2IVP -29.75 13.08 -16.33 # A G 172 # GLY 172 2IVP -32.0 16.17 -15.91 # A P 173 # PRO 173 2IVP -34.85 14.59 -19.64 # A E 176 # GLU 176 2IVP -30.7 9.25 -8.21 # A G 253 # GLY 253 2IVP -32.49 8.52 -11.5 # A V 254 # VAL 254 2IVP -36.12 12.13 -10.17 # A A 256 # ALA 256 2IVP -36.98 11.32 -13.81 # A N 257 # ASN 257 2IVP -35.63 13.06 -3.63 # A Y 280 # TYR 280 2IVP -30.1 9.73 -4.37 # A R 284 # ARG 284 2IVP -27.16 8.59 -2.23 # A D 285 # ASP 285 3QB0 -7.25 -42.08 0.0 # B G 15 # GLY 22 3QB0 -8.46 -39.9 -2.85 # B S 16 # SER 23 3QB0 -4.96 -38.76 -3.76 # B Y 17 # TYR 24 3QB0 -2.9 -41.66 -2.44 # B T 18 # THR 25 3QB0 -8.63 -33.5 7.71 # B D 152 # ASP 159 3QB0 -6.89 -33.58 1.9 # B G 154 # GLY 161 3QB0 -7.28 -33.59 -1.87 # B H 155 # HIS 162 3QB0 -10.82 -34.23 -3.08 # B D 156 # ASP 163 3QB0 -12.45 -33.28 0.2 # B T 157 # THR 164 3QB0 2.76 -30.09 -6.04 # B Q 233 # GLN 240 3QB0 1.74 -25.55 -3.34 # B K 236 # LYS 243 3QB0 4.83 -26.58 -1.34 # B E 237 # GLU 244 3QB0 -4.03 -34.04 5.37 # B G 353 # GLY 412 3QB0 -1.31 -32.75 3.07 # B G 354 # GLY 413 3QB0 -3.1 -29.44 2.55 # B T 355 # THR 414 3QB0 0.98 -28.31 5.8 # B S 357 # SER 416 3QB0 0.34 -24.9 4.21 # B I 358 # ILE 417 3QB0 -0.36 -37.6 4.53 # B Q 390 # GLN 449 3UQD -26.65 -21.69 -15.17 # D K 185 # LYS 185 3UQD -25.67 -16.48 -19.0 # D N 187 # ASN 187 3UQD -25.64 -20.49 -21.52 # D S 224 # SER 224 3UQD -24.66 -18.61 -24.69 # D L 225 # LEU 225 3UQD -27.93 -17.73 -26.42 # D G 226 # GLY 226 3UQD -27.7 -18.6 -30.14 # D P 227 # PRO 227 3UQD -25.79 -22.81 -27.18 # D G 229 # GLY 229 3UQD -28.19 -25.46 -31.33 # D P 243 # PRO 243 3UQD -35.32 -18.26 -33.61 # D S 248 # SER 248 3UQD -35.31 -20.18 -23.3 # D A 254 # ALA 254 3UQD -33.38 -19.9 -20.04 # D G 255 # GLY 255 3UQD -32.9 -25.15 -20.37 # D M 258 # MET 258 3UQD -29.66 -26.85 -25.3 # D V 280 # VAL 280 3UQD -33.78 -23.98 -24.58 # D G 283 # GLY 283 3UQD -33.69 -23.92 -28.36 # D S 284 # SER 284 3UQD -37.37 -20.31 -29.28 # D T 287 # THR 287 3EFS -6.76 3.0 -12.7 # B R 39 # ARG 40 3EFS -9.11 -3.57 -12.66 # B R 42 # ARG 43 3EFS -11.8 -5.04 -14.9 # B K 43 # LYS 44 3EFS -13.99 -2.02 -15.67 # B W 44 # TRP 45 3EFS -17.22 -3.69 -16.79 # B L 45 # LEU 46 3EFS -15.12 9.97 -9.18 # B D 95 # ASP 96 3EFS -21.17 9.46 -7.3 # B Y 97 # TYR 98 3EFS -20.53 5.5 -8.49 # B K 102 # LYS 103 3EFS -23.14 4.41 -16.58 # B N 122 # ASN 123 3EFS -20.54 -3.86 -8.26 # B I 132 # ILE 133 3EFS -22.39 1.33 -8.72 # B A 136 # ALA 137 3EFS -10.18 6.71 5.59 # B K 191 # LYS 192 3EFS -8.43 5.81 -2.35 # B S 228 # SER 229 3EFS -15.19 5.34 7.98 # B S 232 # SER 233 4AUI 18.12 -8.27 22.73 # C Y 5 # TYR 5 4AUI 23.64 -17.79 30.78 # C K 9 # LYS 9 4AUI 29.33 -16.23 27.08 # C G 38 # GLY 38 4AUI 25.94 -10.63 26.4 # C K 40 # LYS 40 4AUI 23.81 -3.2 15.53 # C Q 58 # GLN 58 4AUI 26.37 -5.73 20.83 # C E 60 # GLU 60 4AUI 29.92 -8.58 26.39 # C K 62 # LYS 62 4AUI 30.59 -8.18 20.34 # C R 75 # ARG 75 4AUI 29.53 -8.23 16.73 # C Q 76 # GLN 76 4AUI 32.51 -12.06 12.57 # C N 94 # ASN 94 4AUI 33.28 -17.83 12.84 # C K 98 # LYS 98 4AUI 35.66 -10.7 15.13 # C R 124 # ARG 124 5K8F -4.27 24.28 5.5 # A T 280 # THR 289 5K8F -5.03 27.86 4.48 # A S 281 # SER 290 5K8F -7.33 31.96 7.4 # A S 283 # SER 292 5K8F -6.65 32.4 11.14 # A T 284 # THR 293 5K8F -0.56 23.36 9.56 # A K 288 # LYS 297 5K8F -8.09 21.81 -1.03 # A W 325 # TRP 334 5K8F -16.3 26.22 3.03 # A G 403 # GLY 412 5K8F -18.3 28.84 4.95 # A E 404 # GLU 413 5K8F -21.78 29.58 6.27 # A P 405 # PRO 414 5K8F -24.86 22.48 3.51 # A D 427 # ASP 436 5K8F -21.83 20.35 4.45 # A T 428 # THR 437 5K8F -19.82 21.53 7.47 # A Y 429 # TYR 438 5K8F -16.37 20.03 8.06 # A W 430 # TRP 439 5K8F -12.64 20.82 8.2 # A M 431 # MET 440 5K8F -9.36 19.65 6.71 # A T 432 # THR 441 5K8F -16.12 27.28 15.25 # A D 518 # ASP 527 5K8F -22.42 27.03 12.43 # A I 530 # ILE 539 5K8F -14.99 31.17 13.59 # A R 533 # ARG 542 5K8F -12.54 31.76 2.51 # A K 631 # LYS 640 1GOL -16.48 18.25 36.31 # A V 36 # VAL 37 1GOL -19.84 12.12 36.87 # A A 49 # ALA 50 1GOL -19.93 6.81 39.16 # A D 103 # ASP 104 1GOL -21.59 9.86 40.67 # A L 104 # LEU 105 1GOL -20.74 10.25 44.37 # A M 105 # MET 106 1GOL -16.22 13.15 49.9 # A D 108 # ASP 109 1GOL -16.54 18.21 52.77 # A K 111 # LYS 112 1GOL -6.48 12.33 52.21 # A K 148 # LYS 149 1GOL -15.77 9.65 47.97 # A L 153 # LEU 154 4KH0 6.6 83.4 33.18 # D K 5 # LYS 6 4KH0 10.31 84.27 33.31 # D L 6 # LEU 7 4KH0 10.83 85.59 36.84 # D Q 7 # GLN 8 4KH0 12.02 83.16 39.5 # D V 8 # VAL 9 4KH0 12.39 84.67 45.86 # D A 10 # ALA 11 4KH0 12.84 82.15 48.65 # D I 11 # ILE 12 4KH0 22.0 81.89 49.19 # D V 16 # VAL 17 4KH0 27.11 84.27 46.92 # D D 18 # ASP 19 4KH0 30.47 85.55 45.66 # D H 19 # HIS 20 4KH0 18.55 78.04 41.26 # D T 42 # THR 43 4KH0 27.42 86.07 36.56 # D L 47 # LEU 48 4KH0 28.66 89.71 36.47 # D P 48 # PRO 49 4KH0 30.02 91.04 39.78 # D S 49 # SER 50 4KH0 30.96 94.53 40.93 # D G 50 # GLY 51 4KH0 32.97 93.01 43.79 # D E 51 # GLU 52 4KH0 30.98 84.97 40.14 # D K 55 # LYS 56 4KH0 25.71 81.84 42.83 # D L 57 # LEU 58 4KH0 20.21 79.35 46.02 # D K 59 # LYS 60 4KH0 17.08 83.67 54.78 # D I 85 # ILE 86 4KH0 12.11 86.4 52.44 # D Y 88 # TYR 89 4KH0 18.53 88.01 54.87 # D V 90 # VAL 91 4KH0 25.21 86.95 56.4 # D K 93 # LYS 94 4II2 -14.56 -13.99 35.37 # B G 80 # GLY 76 4II3 -8.33 21.71 -63.99 # A R 9 # ARG 22 4II3 -10.99 35.1 -75.95 # A G 421 # GLY 434 4II3 -9.58 31.86 -77.35 # A A 422 # ALA 435 4II3 -9.69 29.48 -74.4 # A G 423 # GLY 436 4II3 -12.11 26.71 -73.53 # A A 424 # ALA 437 4II3 -6.29 36.67 -77.19 # A D 450 # ASP 463 4II3 -2.98 37.49 -75.54 # A M 451 # MET 464 4II3 -2.18 34.1 -74.03 # A D 452 # ASP 465 4II3 -5.24 23.85 -71.69 # A N 458 # ASN 471 4II3 -10.77 21.75 -72.45 # A R 461 # ARG 474 4II3 -4.23 30.64 -79.01 # A K 474 # LYS 487 4II3 -5.49 42.04 -74.75 # A R 499 # ARG 512 4II3 -8.96 43.56 -75.04 # A V 500 # VAL 513 4II3 -15.05 33.81 -74.14 # A A 522 # ALA 535 4II3 -13.3 35.52 -71.24 # A L 523 # LEU 536 4II3 -12.2 34.28 -67.82 # A D 524 # ASP 537 4II3 -12.42 37.44 -65.72 # A N 525 # ASN 538 4II3 -12.79 42.1 -69.12 # A A 528 # ALA 541 2IDX 49.47 52.82 6.43 # B Y 3 # TYR 59 2IDX 48.95 51.65 2.85 # B T 4 # THR 60 2IDX 45.28 52.71 2.51 # B K 5 # LYS 61 2IDX 44.76 49.35 0.75 # B T 6 # THR 62 2IDX 42.38 48.33 3.46 # B G 7 # GLY 63 2IDX 39.11 44.43 2.53 # B F 11 # PHE 67 2IDX 42.38 42.87 3.7 # B S 12 # SER 68 2IDX 44.85 40.06 3.14 # B S 13 # SER 69 2IDX 37.57 42.6 7.29 # B K 22 # LYS 78 2IDX 40.1 38.53 11.08 # B F 27 # PHE 83 2DDO -5.59 2.69 47.46 # A D 116 # ASP 125 2DDO -7.77 5.42 51.17 # A T 148 # THR 157 2DDO -12.32 9.12 47.55 # A N 150 # ASN 159 2DDO -14.38 5.17 45.05 # A E 153 # GLU 162 2DDO -11.3 11.81 50.61 # A T 186 # THR 195 2DDO -9.76 19.93 51.23 # A M 189 # MET 206 2DDO -6.25 22.0 54.84 # A H 204 # HIS 221 2DDO -5.53 24.25 51.83 # A S 205 # SER 222 2DDO -6.4 23.29 48.25 # A R 206 # ARG 223 2DDO -4.58 24.23 45.06 # A V 207 # VAL 224 2DDO -0.42 13.42 44.7 # A T 214 # THR 231 2DDO -2.53 10.45 45.7 # A G 215 # GLY 232 2DDO -0.19 10.8 50.16 # A F 218 # PHE 235 2DDO -1.87 15.57 53.53 # A G 240 # GLY 257 2DDO 1.45 16.69 49.69 # A V 243 # VAL 260 2DDO 2.79 20.78 45.29 # A M 247 # MET 264 4QRE 11.62 4.82 7.87 # A P 10 # PRO 11 4QRE 7.23 7.37 11.05 # A Y 12 # TYR 13 4QRE 7.9 4.68 21.53 # A H 19 # HIS 20 4QRE 10.46 0.71 18.92 # A G 21 # GLY 22 4QRE 10.85 3.89 16.89 # A H 22 # HIS 23 4QRE 15.6 2.16 14.52 # A S 25 # SER 26 4QRE 11.65 -3.35 10.92 # A A 269 # ALA 270 4QRE 6.76 -5.31 8.33 # A E 271 # GLU 272 4QRE 7.83 -2.77 5.65 # A I 272 # ILE 273 4QRE 16.0 -5.45 12.25 # A H 298 # HIS 299 4QRE 13.68 -7.3 14.64 # A G 299 # GLY 300 4QRE 10.86 -6.12 16.9 # A W 300 # TRP 301 4QRE 10.86 -4.93 20.46 # A I 301 # ILE 302 4QRE 5.03 -6.5 19.42 # A K 307 # LYS 308 4QRE 5.15 -3.05 21.01 # A M 308 # MET 309 4QRE 2.6 -0.8 19.28 # A S 309 # SER 310 4QRE 0.22 2.02 20.23 # A K 310 # LYS 311 3H0R -71.48 71.61 -114.98 # W V 6 # VAL 8 3H0R -71.52 76.57 -110.24 # W G 8 # GLY 10 3H0R -69.59 78.76 -107.78 # W L 9 # LEU 11 3H0R -70.13 80.61 -104.51 # W E 10 # GLU 12 3H0R -73.88 82.78 -106.08 # W V 153 # VAL 155 3H0R -73.69 81.61 -109.66 # W T 154 # THR 156 3H0R -69.66 72.95 -106.99 # W N 195 # ASN 197 3H0R -69.23 70.44 -109.79 # W V 196 # VAL 198 3H0R -71.03 67.57 -111.46 # W S 197 # SER 199 3H0R -78.07 67.35 -113.75 # W F 206 # PHE 208 3H0R -75.38 64.96 -112.6 # W G 207 # GLY 209 3H0R -72.96 67.42 -107.16 # W R 209 # ARG 211 3WBZ 39.98 97.06 40.85 # E E 7 # GLU 7 3WBZ 35.98 93.48 38.49 # E K 10 # LYS 10 3WBZ 15.83 72.75 40.0 # E R 27 # ARG 27 3WBZ 19.45 67.83 42.54 # E D 29 # ASP 29 3WBZ 21.67 65.95 44.98 # E G 30 # GLY 30 3WBZ 25.26 65.39 43.88 # E K 31 # LYS 31 3WBZ 26.21 61.69 44.03 # E G 32 # GLY 32 3WBZ 23.16 60.76 46.1 # E F 33 # PHE 33 3WBZ 23.42 57.19 44.88 # E H 34 # HIS 34 3WBZ 22.34 56.88 50.1 # E S 37 # SER 37 3WBZ 19.11 54.61 53.25 # E F 42 # PHE 42 3WBZ 16.27 52.11 53.19 # E E 43 # GLU 43 3WBZ 15.38 50.78 49.72 # E K 44 # LYS 44 3WBZ 13.58 51.5 47.56 # E P 45 # PRO 45 3WBZ 12.55 54.63 49.5 # E N 46 # ASN 46 3WBZ 13.87 56.05 52.73 # E D 47 # ASP 47 3WBZ 12.55 62.22 52.0 # E L 51 # LEU 51 3WBZ 14.04 61.35 45.18 # E S 75 # SER 75 3WBZ 16.96 63.76 45.55 # E D 76 # ASP 76 3WBZ 20.53 87.49 38.48 # E R 92 # ARG 92 3WBZ 22.61 84.78 42.72 # E K 95 # LYS 95 3WBZ 19.93 75.5 37.54 # E R 132 # ARG 132 3WBZ 7.34 65.88 33.29 # E W 148 # TRP 148 3WBZ 8.79 65.55 36.81 # E R 149 # ARG 149 3WBZ 9.49 60.63 36.0 # E D 152 # ASP 152 1DO0 80.49 47.82 15.7 # F E 284 # GLU 321 4GP7 14.7 35.56 52.15 # B S 16 # SER 16 4GP7 14.5 37.87 49.18 # B S 17 # SER 17 4GP7 13.44 41.16 50.7 # B G 18 # GLY 18 4GP7 15.08 40.52 54.1 # B S 19 # SER 19 4GP7 17.66 43.25 53.44 # B G 20 # GLY 20 4GP7 20.77 41.16 52.78 # B K 21 # LYS 21 4GP7 22.25 43.45 50.13 # B S 22 # SER 22 4GP7 21.44 46.61 52.05 # B T 23 # THR 23 4GP7 9.68 45.4 51.44 # B R 114 # ARG 116 4GP7 11.15 47.75 45.93 # B R 118 # ARG 120 4TTQ 8.81 -5.5 19.69 # A A 12 # ALA 18 4TTQ 10.1 -5.88 23.28 # A S 13 # SER 19 4TTQ 7.86 -3.15 24.6 # A G 14 # GLY 20 4TTQ 10.43 -0.48 25.15 # A K 15 # LYS 21 4TTQ 8.26 2.36 24.06 # A S 16 # SER 22 4TTQ 5.77 1.38 26.72 # A T 17 # THR 23 4TTQ 3.52 -8.24 18.25 # A R 140 # ARG 146 4TTQ 2.13 -4.54 13.39 # A R 144 # ARG 150 4TTQ 8.71 -8.19 29.47 # A N 175 # ASN 181 4TTQ 3.63 -10.97 31.57 # A S 177 # SER 183 4TTQ 1.16 -8.09 31.09 # A G 178 # GLY 184 4TTQ 1.3 -4.32 31.14 # A L 179 # LEU 185 4P1O 103.6 33.73 7.57 # A T 23 # THR 451 4P1O 99.96 36.9 11.34 # A D 27 # ASP 455 4P1O 99.05 38.38 7.96 # A C 28 # CYS 456 4P1O 98.15 42.05 7.55 # A F 29 # PHE 457 4P1O 103.94 45.95 3.88 # A Y 50 # TYR 478 4P1O 104.35 46.37 0.12 # A T 51 # THR 479 4P1O 101.85 43.61 -0.65 # A R 52 # ARG 480 4P1O 96.32 40.25 0.49 # A P 54 # PRO 482 4P1O 101.35 33.48 2.71 # A I 138 # ILE 566 4P1O 107.26 35.42 0.07 # A T 140 # THR 568 4P1O 112.04 37.09 1.52 # A E 142 # GLU 570 4P1O 111.1 34.03 3.57 # A D 143 # ASP 571 1F2U 14.03 -31.38 3.15 # B K 26 # LYS 763 1F2U 10.95 -32.16 1.1 # B Y 27 # TYR 764 1F2U 3.01 -28.14 7.03 # B F 54 # PHE 791 1F2U 6.78 -22.46 6.52 # B S 56 # SER 793 1F2U 6.11 -19.11 4.84 # B G 57 # GLY 794 1F2U 9.42 -19.1 2.98 # B G 58 # GLY 795 1F2U 8.88 -22.73 1.91 # B E 59 # GLU 796 1F2U 9.53 -9.86 -7.43 # B E 86 # GLU 823 1F2U 2.2 5.58 -14.05 # A R 12 # ARG 12 1F2U 5.85 6.55 -13.46 # A S 13 # SER 13 1F2U 14.02 -0.02 -6.28 # A Q 31 # GLN 31 1F2U 10.66 0.27 -4.62 # A N 32 # ASN 32 1F2U 8.81 3.01 -6.5 # A G 33 # GLY 33 1F2U 10.94 2.88 -9.67 # A S 34 # SER 34 1F2U 8.6 1.55 -12.37 # A G 35 # GLY 35 1F2U 9.12 -2.22 -12.56 # A K 36 # LYS 36 1F2U 5.52 -3.38 -12.1 # A S 37 # SER 37 1F2U 4.24 -0.33 -13.97 # A S 38 # SER 38 1F2U -5.86 6.09 -12.79 # A E 60 # GLU 60 1F2U -2.58 8.03 -17.02 # A T 62 # THR 62 1F2U 0.58 9.72 -15.74 # A K 63 # LYS 63 1F2U -0.45 12.63 -13.51 # A V 64 # VAL 64 1F2U 3.6 -9.11 -7.76 # A Q 140 # GLN 140 2XTI 5.9 12.32 59.53 # B R 202 # ARG 321 2XTI 4.92 17.29 57.38 # B E 204 # GLU 323 2XTI 15.41 19.55 55.01 # B R 210 # ARG 329 2XTI 12.09 17.74 55.69 # B H 211 # HIS 330 2XTI 10.79 14.46 54.16 # B L 212 # LEU 331 2XTI 13.52 9.46 56.34 # B Y 215 # TYR 334 2XTI 16.37 7.9 61.5 # B H 217 # HIS 336 2XTI 19.51 20.7 63.12 # B E 352 # GLU 471 2XTI 20.69 17.27 62.11 # B I 353 # ILE 472 2XTI 20.67 15.64 65.56 # B V 354 # VAL 473 2XTI 18.0 16.07 68.26 # B G 355 # GLY 474 2XTI 17.97 10.68 66.83 # B G 398 # GLY 517 2XTI 18.47 12.31 60.37 # B G 400 # GLY 519 2XTI 20.24 15.67 56.68 # B R 403 # ARG 522 2XTI 17.18 16.93 50.97 # B I 414 # ILE 533 3OVB 4.68 -55.31 -40.89 # A G 46 # GLY 46 3OVB 8.25 -56.5 -41.4 # A S 47 # SER 47 3OVB 7.75 -57.33 -46.35 # A R 50 # ARG 50 3OVB 7.51 -61.65 -35.33 # A E 59 # GLU 59 3OVB 1.77 -59.12 -37.62 # A D 61 # ASP 61 3OVB -0.82 -49.84 -40.7 # A T 130 # THR 130 3OVB 1.76 -48.47 -44.73 # A H 133 # HIS 133 3OVB 17.72 -51.55 -38.39 # A K 152 # LYS 152 3OVB 15.96 -48.81 -32.59 # A Y 161 # TYR 161 3OVB 9.78 -45.73 -31.18 # A A 163 # ALA 163 3OVB 8.52 -48.3 -40.52 # A Y 173 # TYR 173 3OVB 1.53 -37.83 -39.28 # A R 224 # ARG 224 1XNG -22.63 2.91 2.15 # B G 29 # GLY 31 1XNG -24.57 1.29 5.02 # B L 30 # LEU 32 1XNG -25.17 3.78 7.81 # B S 31 # SER 33 1XNG -30.38 4.34 8.7 # B G 33 # GLY 35 1XNG -33.56 3.61 6.71 # B L 34 # LEU 36 1XNG -32.54 4.79 3.25 # B D 35 # ASP 37 1XNG -29.35 2.7 2.99 # B S 36 # SER 38 1XNG -19.45 -0.51 3.28 # B L 54 # LEU 56 1XNG -19.74 0.72 6.87 # B L 55 # LEU 57 1XNG -17.79 3.9 7.5 # B M 56 # MET 58 1XNG -18.21 5.23 11.04 # B P 57 # PRO 59 1XNG -17.34 8.38 2.36 # B R 112 # ARG 114 1XNG -29.44 6.17 -1.43 # B T 130 # THR 132 1XNG -33.74 14.87 0.26 # B E 135 # GLU 137 1XNG -23.76 11.24 -0.23 # B D 146 # ASP 148 1XNG -39.09 9.58 2.37 # B K 159 # LYS 161 1XNG -33.94 10.3 10.2 # B P 180 # PRO 182 1XNG -30.47 11.73 10.82 # B S 181 # SER 183 1XNG -27.38 12.48 8.74 # B A 182 # ALA 184 1N48 10.65 -0.54 8.68 # A D 7 # ASP 7 1N48 11.44 3.1 9.45 # A F 8 # PHE 8 1N48 15.14 3.71 8.8 # A D 9 # ASP 9 1N48 17.49 4.33 11.81 # A Y 10 # TYR 10 1N48 15.16 7.25 16.58 # A Y 12 # TYR 12 1N48 20.0 2.79 21.1 # A A 44 # ALA 44 1N48 20.4 3.82 17.43 # A T 45 # THR 45 1N48 24.67 5.72 8.92 # A Y 48 # TYR 48 1N48 27.79 3.41 11.59 # A R 51 # ARG 51 1N48 22.97 -0.21 18.44 # A A 57 # ALA 57 1N48 24.0 -1.58 21.82 # A G 58 # GLY 58 1N48 9.45 1.25 13.82 # A D 105 # ASP 105 1N48 17.81 -0.68 3.68 # A K 159 # LYS 159 2EWW -12.2 48.69 6.11 # A L 110 # LEU 122 2EWW -1.8 35.9 2.42 # A P 131 # PRO 144 2EWW -1.24 36.29 6.16 # A T 132 # THR 145 2EWW -1.52 40.03 6.9 # A G 133 # GLY 146 2EWW -4.07 41.18 4.31 # A S 134 # SER 147 2EWW -6.97 41.79 6.7 # A G 135 # GLY 148 2EWW -8.81 38.46 6.43 # A K 136 # LYS 149 2EWW -9.61 38.25 10.15 # A S 137 # SER 150 2EWW -10.62 41.89 10.24 # A T 138 # THR 151 2EWW -2.72 45.46 2.04 # A L 266 # LEU 281 2EWW -2.68 51.44 5.39 # A R 274 # ARG 289 2EWW -6.69 47.51 1.15 # A L 276 # LEU 291 3NH9 -13.27 -33.02 17.08 # A Y 44 # TYR 599 3NH9 -11.25 -38.47 11.95 # A R 48 # ARG 603 3NH9 -17.52 -26.89 2.96 # A S 70 # SER 625 3NH9 -16.2 -28.89 5.89 # A G 71 # GLY 626 3NH9 -12.59 -27.94 5.27 # A A 72 # ALA 627 3NH9 -11.62 -26.83 8.83 # A G 73 # GLY 628 3NH9 -11.72 -23.01 8.33 # A K 74 # LYS 629 3NH9 -13.8 -22.08 11.38 # A S 75 # SER 630 3NH9 -11.97 -24.85 13.21 # A T 76 # THR 631 3NH9 -11.85 -22.03 17.34 # A R 79 # ARG 634 3NH9 -10.2 -27.08 22.07 # A Y 85 # TYR 640 4FI1 25.3 -28.53 -24.33 # A G 47 # GLY 47 4FI1 27.81 -25.95 -25.47 # A R 48 # ARG 48 4FI1 28.9 -22.35 -25.0 # A G 49 # GLY 49 4FI1 31.48 -19.78 -26.05 # A K 50 # LYS 50 4FI1 34.12 -21.48 -23.87 # A Y 51 # TYR 51 4FI1 33.17 -25.17 -23.76 # A S 52 # SER 52 4FI1 29.66 -30.16 -22.31 # A V 54 # VAL 54 4FI1 28.67 -33.58 -16.78 # A V 67 # VAL 67 4FI1 32.95 -29.37 -19.33 # A K 69 # LYS 69 4FI1 26.41 -25.94 -9.19 # A I 134 # ILE 134 4FI1 26.8 -32.27 -10.81 # A E 153 # GLU 153 4FI1 21.12 -31.18 -13.99 # A V 155 # VAL 155 4FI1 27.27 -13.84 -16.84 # A D 195 # ASP 195 4FI1 21.68 -20.51 -20.61 # A H 199 # HIS 199 4FI1 23.63 -20.27 -17.36 # A N 200 # ASN 200 4FI1 19.96 -24.94 -15.12 # A M 202 # MET 202 4FI1 26.29 -22.57 -13.47 # A I 213 # ILE 213 4FI1 29.11 -21.17 -15.63 # A D 214 # ASP 214 3W2W 8.79 42.38 16.89 # B K 107 # LYS 111 3W2W 6.76 38.52 30.83 # B R 248 # ARG 262 3W2W 16.75 30.28 26.16 # A K 10 # LYS 225 3W2W 15.08 34.81 30.8 # A V 12 # VAL 227 3W2W 17.5 39.7 30.8 # A V 14 # VAL 229 3W2W 16.96 43.47 30.59 # A Q 15 # GLN 230 3W2W 14.62 43.57 33.64 # A P 16 # PRO 231 3W2W 20.15 44.09 34.5 # A I 18 # ILE 233 3W2W 25.17 40.87 32.88 # A S 31 # SER 246 3W2W 23.66 35.96 32.88 # A L 34 # LEU 249 3W2W 26.54 34.89 30.64 # A S 35 # SER 250 3W2W 25.66 29.41 18.46 # A Y 56 # TYR 271 3W2W 20.99 34.31 26.56 # A N 85 # ASN 300 3W2W 20.1 32.06 23.64 # A K 86 # LYS 301 3W2W 8.13 31.6 33.0 # A R 221 # ARG 436 3W2W 22.36 45.88 18.34 # A D 374 # ASP 600 3W2W 22.44 44.28 14.9 # A G 375 # GLY 601 3W2W 19.66 45.28 12.53 # A D 376 # ASP 602 3W2W 17.51 42.43 11.21 # A D 377 # ASP 603 3W2W 20.04 39.75 12.2 # A M 378 # MET 604 3W2W 17.34 37.08 12.11 # A G 379 # GLY 605 3W2W 21.43 35.22 8.89 # A I 382 # ILE 608 3W2W 25.74 28.88 10.19 # A H 394 # HIS 642 3W2W 28.54 32.46 14.48 # A S 398 # SER 646 3W2W 30.34 37.07 15.28 # A L 401 # LEU 649 3W2W 28.54 42.9 27.42 # A Y 421 # TYR 669 3W2W 25.07 43.33 20.5 # A D 426 # ASP 674 3W2W 15.26 50.83 15.13 # A K 488 # LYS 739 3W2W 17.51 51.14 10.58 # A K 493 # LYS 744 3PJR 30.62 93.88 120.39 # A H 8 # HIS 11 3PJR 31.06 90.22 121.07 # A L 9 # LEU 12 3PJR 31.12 84.32 120.99 # A Q 13 # GLN 16 3PJR 22.33 81.08 131.73 # A A 30 # ALA 33 3PJR 22.85 84.68 130.45 # A G 31 # GLY 34 3PJR 25.91 84.6 128.18 # A S 32 # SER 35 3PJR 24.79 85.14 124.54 # A G 33 # GLY 36 3PJR 23.71 81.77 123.2 # A K 34 # LYS 37 3PJR 20.62 83.25 121.52 # A T 35 # THR 38 3PJR 22.58 86.3 120.25 # A R 36 # ARG 39 3PJR 17.82 75.25 132.2 # A Q 251 # GLN 254 3PJR 25.9 90.14 130.23 # A Y 283 # TYR 286 3PJR 22.35 90.34 131.57 # A R 284 # ARG 287 3PJR 14.7 88.98 130.32 # A E 565 # GLU 571 3PJR 15.61 86.12 134.28 # A R 604 # ARG 610 1H3E 135.95 52.56 56.72 # A G 38 # GLY 43 1H3E 134.99 52.21 53.07 # A A 39 # ALA 44 1H3E 137.05 51.0 50.14 # A D 40 # ASP 45 1H3E 124.43 53.97 48.0 # A H 47 # HIS 52 1H3E 123.4 50.09 51.42 # A G 49 # GLY 54 1H3E 126.04 52.32 52.97 # A H 50 # HIS 55 1H3E 122.54 51.6 56.68 # A V 52 # VAL 57 1H3E 125.82 51.98 58.55 # A V 53 # VAL 58 1H3E 138.89 40.73 43.89 # A R 88 # ARG 93 1H3E 130.0 47.64 59.96 # A G 188 # GLY 193 1H3E 127.76 45.45 57.88 # A G 189 # GLY 194 1H3E 132.54 42.46 58.39 # A Q 192 # GLN 197 1H3E 122.06 44.25 58.92 # A P 217 # PRO 222 1H3E 122.93 44.09 55.24 # A L 218 # LEU 223 1H3E 120.46 45.82 52.91 # A L 219 # LEU 224 1H3E 123.07 42.53 49.01 # A K 227 # LYS 232 1H3E 123.28 45.96 47.52 # A M 228 # MET 233 1H3E 126.7 46.55 46.05 # A S 229 # SER 234 1H3E 128.5 48.9 43.69 # A K 230 # LYS 235 3ZC7 -14.5 -34.52 18.26 # B E 25 # GLU 24 3ZC7 -19.85 -38.88 8.44 # A K 78 # LYS 85 3ZC7 -22.05 -41.65 9.84 # A D 79 # ASP 86 3ZC7 -24.39 -37.92 6.07 # A S 81 # SER 88 3ZC7 -21.25 -28.18 7.83 # A N 126 # ASN 133 3ZC7 -17.43 -30.11 4.78 # A H 129 # HIS 136 3ZC7 -10.41 -33.64 8.01 # A E 133 # GLU 140 3ZC7 -10.69 -30.87 10.62 # A G 134 # GLY 141 3ZC7 -14.0 -29.55 9.29 # A N 135 # ASN 142 3ZC7 -15.82 -29.39 12.62 # A G 136 # GLY 143 3ZC7 -13.02 -27.58 14.4 # A R 137 # ARG 144 3ZC7 -16.44 -23.57 14.99 # A R 140 # ARG 147 3ZC7 -23.6 -31.09 18.77 # A M 164 # MET 171 3ZC7 -25.42 -31.36 12.91 # A S 168 # SER 175 3ZC7 -27.43 -34.31 11.65 # A I 169 # ILE 176 1O93 5.07 21.16 49.44 # B A 40 # ALA 56 1O93 4.96 20.91 54.84 # B E 55 # GLU 71 1O93 -0.31 24.08 42.41 # B K 262 # LYS 290 4AZW -14.55 17.49 -11.46 # A P 218 # PRO 229 4AZW -16.53 16.5 -8.31 # A Y 219 # TYR 230 4AZW -10.73 25.77 -13.28 # A H 226 # HIS 237 4AZW -12.65 21.76 -18.22 # A R 230 # ARG 241 4AZW -16.01 15.95 -18.3 # A Y 232 # TYR 243 4AZW -19.28 10.09 -18.99 # A F 234 # PHE 245 4AZW -11.62 15.08 -20.31 # A K 241 # LYS 252 4AZW -9.92 21.16 -21.58 # A F 243 # PHE 254 4AZW -1.76 18.73 -16.77 # A E 263 # GLU 274 4AZW -9.88 6.88 -21.14 # A M 297 # MET 308 4AZW -11.48 3.72 -19.72 # A E 298 # GLU 309 4AZW -14.05 4.38 -16.95 # A K 299 # LYS 310 4AZW -13.04 2.78 -13.64 # A L 300 # LEU 311 4AZW -15.13 8.77 -5.54 # A L 304 # LEU 315 4AZW -11.78 13.21 -4.71 # A W 344 # TRP 355 4AZW -9.02 11.54 -6.74 # A N 345 # ASN 356 4AZW -7.31 8.61 -10.97 # A I 357 # ILE 368 4AZW -6.23 12.15 -12.08 # A D 358 # ASP 369 2JJX 46.32 -33.65 112.12 # A R 98 # ARG 99 2JJX 41.14 -28.08 102.35 # A N 106 # ASN 107 2JJX 38.0 -29.46 103.92 # A A 107 # ALA 108 2JJX 42.96 -31.97 105.2 # A A 109 # ALA 110 2JJX 44.82 -28.84 106.3 # A E 110 # GLU 111 2JJX 47.09 -27.13 103.83 # A P 111 # PRO 112 2JJX 52.26 -24.91 106.76 # A I 113 # ILE 114 2JJX 51.72 -24.64 112.07 # A R 116 # ARG 117 2JJX 53.21 -25.8 116.65 # A H 119 # HIS 120 2JJX 49.4 -33.53 118.42 # A Y 125 # TYR 126 1Q97 28.25 35.75 49.37 # A G 22 # GLY 165 1Q97 29.46 36.56 56.23 # A G 24 # GLY 167 1Q97 29.42 37.78 59.83 # A H 25 # HIS 168 1Q97 31.93 40.49 58.93 # A F 26 # PHE 169 1Q97 30.55 41.71 55.63 # A S 27 # SER 170 1Q97 30.42 40.16 49.07 # A V 29 # VAL 172 1Q97 33.89 41.12 43.9 # A A 42 # ALA 185 1Q97 33.7 43.07 50.11 # A K 44 # LYS 187 1Q97 43.29 36.78 46.32 # A L 83 # LEU 226 1Q97 38.53 39.9 41.25 # A E 104 # GLU 247 1Q97 35.62 37.49 40.83 # A V 105 # VAL 248 1Q97 37.01 33.99 41.26 # A L 106 # LEU 249 1Q97 34.14 31.52 41.18 # A G 107 # GLY 250 1Q97 35.1 28.05 47.09 # A N 109 # ASN 252 1Q97 35.34 28.15 52.41 # A E 155 # GLU 298 1Q97 38.45 30.37 52.32 # A N 156 # ASN 299 1Q97 38.56 30.13 45.94 # A L 158 # LEU 301 1Q97 39.65 36.11 53.31 # A D 175 # ASP 550 3ZCN -7.69 8.21 -24.38 # B E 72 # GLU 73 3ZCN 3.67 5.84 -18.41 # B K 130 # LYS 131 3ZCN -3.98 5.08 -35.88 # B L 144 # LEU 145 3ZCN -3.08 7.45 -40.39 # B Y 154 # TYR 155 3ZCN 0.56 14.49 -33.1 # B E 194 # GLU 195 3ZCN 3.51 10.74 -33.14 # B H 197 # HIS 198 3ZCN 1.94 5.42 -26.91 # B D 201 # ASP 202 3ZCN 1.05 8.4 -24.72 # B G 202 # GLY 203 3ZCN 1.16 10.74 -27.71 # B N 203 # ASN 204 3ZCN -2.2 12.43 -27.17 # B G 204 # GLY 205 3ZCN -1.67 13.19 -23.5 # B R 205 # ARG 206 3ZCN -1.8 18.12 -24.57 # B R 208 # ARG 209 3ZCN -10.66 17.09 -32.72 # B Y 239 # TYR 240 3ZCN -9.91 13.86 -34.55 # B Y 240 # TYR 241 3ZCN -6.4 16.88 -37.14 # B L 243 # LEU 244 3ZCN -6.8 14.39 -39.97 # B L 244 # LEU 245 1WKL 5.83 50.81 63.38 # B K 9 # LYS 9 1WKL 9.3 43.14 78.74 # B H 52 # HIS 52 1WKL 1.34 41.18 75.99 # B F 57 # PHE 57 1WKL 3.51 42.86 70.7 # B L 61 # LEU 61 1WKL 9.9 61.73 73.32 # B R 85 # ARG 85 1WKL 2.71 56.11 74.85 # B T 91 # THR 91 1WKL 0.61 59.9 68.66 # B R 102 # ARG 102 1WKL -1.72 51.84 72.52 # B I 109 # ILE 109 1WKL -1.66 48.53 70.59 # B D 110 # ASP 110 1WKL 0.57 53.68 68.56 # B N 112 # ASN 112 1WKL 8.61 54.33 68.99 # B H 115 # HIS 115 1WKL 11.44 56.56 70.22 # B G 116 # GLY 116 1XDN 37.72 18.17 21.38 # A Y 7 # TYR 58 1XDN 37.11 15.9 18.44 # A I 8 # ILE 59 1XDN 38.66 14.4 15.42 # A E 9 # GLU 60 1XDN 36.77 14.95 12.2 # A I 10 # ILE 61 1XDN 38.57 27.04 6.87 # A E 35 # GLU 86 1XDN 40.42 24.14 8.47 # A K 36 # LYS 87 1XDN 43.48 25.72 10.08 # A V 37 # VAL 88 1XDN 44.3 22.11 19.09 # A N 41 # ASN 92 1XDN 44.88 18.24 22.66 # A R 60 # ARG 111 1XDN 43.39 26.29 16.77 # A E 107 # GLU 159 1XDN 41.38 30.69 15.46 # A F 155 # PHE 207 1XDN 35.91 27.29 16.03 # A F 157 # PHE 209 1XDN 35.39 21.76 7.94 # A V 233 # VAL 286 1XDN 36.29 17.66 6.61 # A K 254 # LYS 307 1XDN 41.48 18.44 2.54 # A R 256 # ARG 309 3FHX 12.36 24.23 18.45 # B D 111 # ASP 113 3FHX 6.86 35.19 21.62 # B D 116 # ASP 118 3FHX 14.06 37.04 24.51 # B Y 125 # TYR 127 3FHX 5.28 29.69 17.45 # B N 148 # ASN 150 3FHX 9.37 32.86 15.55 # B E 151 # GLU 153 3FHX 2.76 25.67 17.98 # B T 184 # THR 186 3FHX 0.71 28.79 18.65 # B S 185 # SER 187 3FHX -5.06 30.09 20.09 # B L 197 # LEU 199 3FHX -2.08 25.64 15.84 # B V 199 # VAL 201 3FHX -7.47 25.32 21.15 # B I 221 # ILE 223 3FHX -9.24 27.06 24.03 # B R 222 # ARG 224 3FHX -7.05 29.26 26.24 # B K 223 # LYS 225 3FHX -6.34 28.69 29.93 # B V 224 # VAL 226 3FHX -2.59 31.45 32.98 # B A 226 # ALA 228 3FHX 4.76 23.67 27.23 # B T 231 # THR 233 3FHX 6.64 24.45 24.04 # B G 232 # GLY 234 3FHX -0.74 19.06 26.36 # B L 261 # LEU 263 3FHX -2.44 21.75 31.65 # B L 265 # LEU 267 2XCW -9.25 18.22 61.78 # A R 142 # ARG 144 2XCW -7.53 15.22 63.4 # A D 143 # ASP 145 2XCW -8.04 12.57 58.67 # A T 145 # THR 147 2XCW -7.52 18.9 52.61 # A I 150 # ILE 152 2XCW -3.72 21.61 49.32 # A N 152 # ASN 154 2XCW 2.12 20.63 53.84 # A F 352 # PHE 354 2XCW -0.46 27.72 57.82 # A Q 435 # GLN 453 2XCW 3.01 29.87 60.73 # A R 438 # ARG 456 3J16 -30.44 64.01 -53.64 # B Y 87 # TYR 87 3J16 -26.45 59.84 -53.7 # B F 92 # PHE 92 3J16 -14.81 60.97 -57.94 # B N 112 # ASN 112 3J16 -18.47 60.82 -56.91 # B G 113 # GLY 113 3J16 -17.73 61.45 -53.2 # B I 114 # ILE 114 3J16 -19.56 64.77 -52.99 # B G 115 # GLY 115 3J16 -16.55 67.02 -52.87 # B K 116 # LYS 116 3J16 -18.31 69.17 -55.47 # B S 117 # SER 117 3J16 -21.56 69.04 -53.55 # B T 118 # THR 118 3J16 -10.03 71.07 -58.54 # B E 247 # GLU 247 3J16 -6.79 65.02 -57.21 # B H 279 # HIS 279 3J16 -22.09 57.77 -56.53 # B S 299 # SER 299 3VEZ 26.59 25.36 18.49 # A K 39 # LYS 39 3VEZ 24.24 32.27 6.14 # A G 186 # GLY 186 3VEZ 23.75 33.83 1.35 # A M 189 # MET 189 3VEZ 27.46 34.56 0.89 # A G 190 # GLY 190 3VEZ 21.43 41.0 1.87 # A T 316 # THR 316 3VEZ 27.47 38.61 14.97 # A R 418 # ARG 418 3VEZ 33.03 33.94 2.18 # A R 449 # ARG 449 3VEZ 33.24 37.73 2.7 # A P 450 # PRO 450 3VEZ 24.13 45.19 3.82 # A T 476 # THR 476 3VEZ 31.88 41.63 -1.18 # A H 492 # HIS 492 3VEZ 28.19 45.69 -0.77 # A S 496 # SER 496 3VEZ 29.34 45.64 2.83 # A T 497 # THR 497 3VEZ 27.61 44.38 6.01 # A R 498 # ARG 498 3VEZ 35.82 31.44 17.17 # A N 532 # ASN 532 5T0G 153.47 142.08 185.89 # C I 141 # ILE 151 5T0G 154.63 140.44 189.1 # C G 142 # GLY 152 5T0G 167.86 143.73 182.8 # C P 182 # PRO 192 5T0G 165.57 142.29 183.68 # C G 183 # GLY 193 5T0G 162.38 143.67 182.15 # C T 184 # THR 194 5T0G 159.22 145.41 183.25 # C G 185 # GLY 195 5T0G 160.91 148.75 183.85 # C K 186 # LYS 196 5T0G 159.65 149.63 180.38 # C T 187 # THR 197 5T0G 156.27 147.97 180.97 # C L 188 # LEU 198 5T0G 166.52 153.38 175.46 # C E 240 # GLU 250 5T0G 168.35 167.96 182.47 # C L 264 # LEU 274 5T0G 165.2 172.78 184.17 # C N 268 # ASN 278 5T0G 174.31 166.3 192.16 # C P 298 # PRO 308 5T0G 169.45 167.12 193.09 # C R 300 # ARG 310 5T0G 155.58 135.67 186.82 # C I 318 # ILE 328 5T0G 153.36 134.14 181.05 # C H 322 # HIS 332 5T0G 163.26 138.77 183.1 # C G 346 # GLY 356 5T0G 160.97 133.67 181.11 # C V 349 # VAL 359 5T0G 159.27 134.14 177.74 # C K 350 # LYS 360 3IKH -7.34 47.89 63.36 # D K 40 # LYS 39 3IKH 0.66 54.42 53.61 # D N 179 # ASN 182 3IKH 0.59 58.65 55.05 # D T 197 # THR 200 3IKH 4.38 58.6 55.31 # D Q 198 # GLN 201 3IKH 5.18 58.31 59.0 # D G 199 # GLY 202 3IKH 7.38 61.07 60.4 # D A 200 # ALA 203 3IKH 3.93 63.7 56.93 # D G 202 # GLY 205 3IKH 4.05 66.98 64.13 # D V 217 # VAL 220 3IKH 7.29 63.99 68.33 # D A 219 # ALA 222 3IKH 4.53 53.97 66.96 # D T 224 # THR 227 3IKH -1.57 52.68 66.37 # D G 226 # GLY 229 3IKH -0.26 55.89 64.78 # D A 227 # ALA 230 3IKH -1.97 55.22 61.46 # D G 228 # GLY 231 3IKH -5.23 54.28 63.15 # D D 229 # ASP 232 3IKH -4.44 59.5 62.11 # D F 231 # PHE 234 3IKH -1.07 64.81 62.67 # D S 254 # SER 258 3IKH -0.93 60.79 65.85 # D A 257 # ALA 261 3IKH 3.71 57.84 68.87 # D V 261 # VAL 265 1B76 30.22 22.48 41.06 # A R 157 # ARG 220 1B76 34.43 19.99 37.74 # A E 159 # GLU 222 1B76 32.92 29.06 30.6 # A F 167 # PHE 230 1B76 33.54 25.98 32.87 # A R 168 # ARG 231 1B76 34.23 26.85 36.55 # A V 169 # VAL 232 1B76 29.64 30.39 39.59 # A F 172 # PHE 235 1B76 23.13 31.57 37.81 # A Q 174 # GLN 237 1B76 25.5 26.27 26.14 # A E 241 # GLU 304 1B76 24.42 29.71 27.44 # A L 242 # LEU 305 1B76 21.08 28.99 29.09 # A E 243 # GLU 306 1B76 18.57 28.11 33.89 # A S 298 # SER 361 1B76 24.77 31.04 33.83 # A G 300 # GLY 363 1B76 28.64 32.71 30.74 # A R 303 # ARG 366 4FWM 46.27 13.66 0.67 # A H 172 # HIS 175 4FWM 50.78 8.01 2.67 # A H 200 # HIS 203 4FWM 46.71 5.49 7.04 # A G 202 # GLY 205 4FWM 43.05 4.46 7.19 # A N 203 # ASN 206 4FWM 43.09 6.3 3.89 # A G 204 # GLY 207 4FWM 42.68 -1.45 12.4 # A D 275 # ASP 278 4FWM 46.16 -2.78 11.57 # A L 276 # LEU 279 4FWM 47.43 -3.29 15.16 # A R 277 # ARG 280 4FWM 49.27 -7.69 13.2 # A E 280 # GLU 283 4FWM 49.56 6.34 10.73 # A G 323 # GLY 326 4FWM 50.7 3.03 9.25 # A I 324 # ILE 327 4FWM 54.37 3.3 13.15 # A N 327 # ASN 330 4FWM 54.46 -0.1 11.42 # A S 328 # SER 331 4FWI 2.98 1.53 5.31 # B Y 13 # TYR 14 4FWI 7.2 3.55 5.95 # B I 20 # ILE 21 4FWI 4.33 12.39 17.74 # B S 42 # SER 43 4FWI 4.46 10.25 14.64 # B A 43 # ALA 44 4FWI 6.78 7.61 16.11 # B S 44 # SER 45 4FWI 4.8 4.41 15.49 # B G 45 # GLY 46 4FWI 2.63 4.13 18.62 # B K 46 # LYS 47 4FWI -0.74 3.9 16.88 # B S 47 # SER 48 4FWI 0.9 1.74 14.22 # B T 48 # THR 49 4FWI -2.42 1.04 3.2 # B N 60 # ASN 61 4FWI -7.05 7.27 17.99 # B Q 96 # GLN 97 4FWI 10.62 6.87 8.6 # B L 267 # LEU 278 1VJC 8.96 7.43 23.3 # A G 213 # GLY 213 1VJC 10.02 6.34 26.78 # A A 214 # ALA 214 1VJC 17.69 6.89 20.93 # A K 219 # LYS 219 1VJC 6.97 11.52 25.6 # A G 237 # GLY 237 1VJC 8.63 10.12 28.71 # A G 238 # GLY 238 1VJC 11.52 14.26 31.66 # A F 241 # PHE 241 1VJC 10.5 7.97 33.72 # A L 256 # LEU 256 1VJC 3.55 12.64 33.77 # A G 312 # GLY 312 1VJC 1.91 10.42 31.15 # A L 313 # LEU 313 1VJC 2.31 10.41 25.55 # A G 340 # GLY 340 1VJC 0.9 7.05 26.63 # A V 341 # VAL 341 1VJC -2.49 3.26 24.58 # A E 343 # GLU 343 1VJC 3.69 2.8 17.82 # A D 374 # ASP 374 4HOT -20.5 -22.04 85.13 # A E 28 # GLU 33 4HOT -26.38 -22.42 84.76 # A T 32 # THR 37 4HOT -32.22 -22.42 83.3 # A Q 36 # GLN 41 4HOT -24.52 -14.84 78.46 # A K 145 # LYS 150 4HOT -20.3 -7.38 80.1 # A G 148 # GLY 153 4HOT -24.11 -6.08 76.2 # A Y 151 # TYR 156 4HOT -28.04 -4.46 82.85 # A R 181 # ARG 186 4HOT -34.47 -17.02 89.31 # A Y 245 # TYR 250 4HOT -32.95 -14.29 94.22 # A R 248 # ARG 253 4HOT -14.16 -4.57 86.8 # A H 369 # HIS 374 3LRR -6.72 -27.58 -0.59 # A H 28 # HIS 830 3LRR -17.83 -41.03 1.92 # A H 45 # HIS 847 3LRR -15.41 -44.04 -1.91 # A K 47 # LYS 849 3LRR -3.81 -39.14 -1.91 # A F 51 # PHE 853 3LRR -10.89 -38.81 2.27 # A K 56 # LYS 858 3LRR -18.42 -35.77 2.82 # A K 59 # LYS 861 3LRR -22.61 -30.37 -0.63 # A D 70 # ASP 872 3LRR -16.78 -30.78 -0.0 # A G 72 # GLY 874 3LRR -15.31 -33.46 2.29 # A I 73 # ILE 875 3LRR -14.72 -26.12 -2.39 # A K 86 # LYS 888 4TQF 17.58 39.25 40.18 # A R 140 # ARG 330 4TQF 16.67 33.68 41.88 # A E 142 # GLU 332 4TQF 16.61 31.46 35.6 # A H 148 # HIS 338 4TQF 19.87 33.38 35.8 # A L 149 # LEU 339 4TQF 20.71 38.07 32.57 # A F 152 # PHE 342 4TQF 16.71 42.0 28.96 # A M 154 # MET 344 4TQF 7.97 32.54 29.5 # A E 200 # GLU 396 4TQF 9.77 34.52 26.8 # A L 201 # LEU 397 4TQF 8.1 37.85 27.51 # A S 202 # SER 398 4TQF 5.59 39.81 29.54 # A S 203 # SER 399 4TQF 10.18 42.7 28.15 # A G 225 # GLY 421 4TQF 15.02 37.75 28.11 # A G 227 # GLY 423 4TQF 15.76 32.49 27.08 # A R 230 # ARG 426 1L2T 33.54 38.6 32.5 # B Y 11 # TYR 1011 1L2T 30.98 37.28 39.21 # B A 20 # ALA 1020 1L2T 24.55 28.29 43.06 # B S 40 # SER 1040 1L2T 26.22 30.97 40.92 # B G 41 # GLY 1041 1L2T 26.45 33.6 43.73 # B S 42 # SER 1042 1L2T 30.25 33.93 43.41 # B G 43 # GLY 1043 1L2T 31.67 31.63 46.1 # B K 44 # LYS 1044 1L2T 34.39 29.86 44.01 # B S 45 # SER 1045 1L2T 35.36 33.11 42.29 # B T 46 # THR 1046 1L2T 35.6 21.29 43.98 # B Q 90 # GLN 1090 1L2T 43.99 3.23 48.22 # B F 138 # PHE 1138 1L2T 45.21 3.77 42.96 # B H 141 # HIS 1141 1L2T 40.6 3.87 39.96 # B Q 145 # GLN 1145 1L2T 35.37 6.69 43.69 # B S 147 # SER 1147 1L2T 34.28 10.33 43.81 # B G 148 # GLY 1148 1L2T 34.56 10.5 47.61 # B G 149 # GLY 1149 1L2T 37.95 8.73 47.58 # B Q 150 # GLN 1150 1L2T 31.19 13.78 47.54 # B A 175 # ALA 1175 1L2T 26.21 24.19 50.41 # B H 204 # HIS 1204 2Q97 49.19 15.21 168.84 # T N 64 # ASN 131 2Q97 45.87 11.61 172.08 # T Q 67 # GLN 134 4J5Y 17.57 4.18 -16.03 # F Y 23 # TYR 25 4J5Y 19.92 1.4 -17.08 # F L 24 # LEU 26 4J5Y 21.48 5.15 -20.8 # F G 27 # GLY 29 4J5Y 18.24 3.32 -21.55 # F I 28 # ILE 30 4J5Y 12.49 2.0 -18.75 # F L 30 # LEU 32 4J5Y 9.88 -7.44 -17.52 # F Q 50 # GLN 52 4J5Y 21.96 3.32 -12.36 # F S 58 # SER 60 4J5Y 18.89 5.12 -10.95 # F T 59 # THR 61 4J5Y 13.26 7.92 -10.4 # F V 61 # VAL 63 3REU 11.81 -12.95 2.14 # A A 54 # ALA 54 3REU 7.53 -3.83 10.33 # A R 99 # ARG 99 3REU 4.52 -8.51 9.83 # A E 101 # GLU 101 3REU 13.23 -14.89 14.39 # A R 109 # ARG 109 3REU 10.81 -12.01 13.83 # A H 110 # HIS 110 3REU 9.74 -9.05 15.95 # A S 111 # SER 111 3REU 13.63 -4.35 16.18 # A F 114 # PHE 114 3REU 19.64 -3.25 13.2 # A Q 116 # GLN 116 3REU 19.39 -14.91 8.43 # A E 215 # GLU 215 3REU 21.32 -12.42 10.6 # A V 216 # VAL 216 3REU 22.62 -9.88 8.07 # A S 217 # SER 217 3REU 21.71 -8.57 4.62 # A S 218 # SER 218 3REU 20.02 -7.69 13.39 # A G 264 # GLY 264 3REU 18.87 -11.97 16.27 # A R 267 # ARG 267 3LY6 76.36 -5.12 6.54 # A F 169 # PHE 174 3LY6 91.39 -3.1 9.32 # A R 471 # ARG 476 3LY6 88.34 -5.48 4.11 # A R 473 # ARG 478 3LY6 85.94 -7.81 2.28 # A V 474 # VAL 479 3LY6 86.28 -6.46 -1.25 # A G 475 # GLY 480 3LY6 82.65 -7.1 -2.21 # A Q 476 # GLN 481 3LY6 79.64 -9.07 -0.91 # A S 477 # SER 482 3LY6 80.17 -12.82 -0.39 # A M 478 # MET 483 3LY6 85.45 -8.04 11.82 # A R 575 # ARG 580 3LY6 81.19 -11.05 8.08 # A L 577 # LEU 582 3LY6 77.66 -11.93 6.97 # A Y 578 # TYR 583 3AQN -77.09 26.24 14.79 # B G 40 # GLY 56 3AQN -77.65 31.5 15.58 # B R 43 # ARG 59 3AQN -84.09 20.83 27.35 # B R 110 # ARG 149 3AQN -81.7 22.47 24.93 # B R 111 # ARG 150 3AQN -78.17 23.08 26.18 # B D 112 # ASP 151 3AQN -78.15 27.39 20.4 # B N 116 # ASN 155 3AQN -74.88 14.4 30.4 # B D 155 # ASP 194 3AQN -72.41 18.85 27.82 # B R 158 # ARG 197 3AQN -68.5 26.51 21.11 # B F 165 # PHE 204 3AQN -65.49 28.12 17.54 # B K 168 # LYS 207 4M9X -29.82 -41.51 45.53 # B M 128 # MET 128 4M9X -33.28 -47.3 44.76 # B Y 131 # TYR 131 4M9X -20.81 -45.6 30.73 # B A 161 # ALA 161 4M9X -23.96 -44.66 32.62 # B G 162 # GLY 162 4M9X -24.1 -46.17 37.73 # B G 164 # GLY 164 4M9X -20.7 -45.97 39.4 # B K 165 # LYS 165 4M9X -20.75 -42.41 40.65 # B S 166 # SER 166 4M9X -24.2 -42.79 42.13 # B V 167 # VAL 167 4M9X -14.89 -46.15 32.72 # B R 273 # ARG 273 4M9X -35.5 -50.25 39.75 # B F 301 # PHE 301 4M9X -40.2 -45.24 40.74 # B Y 305 # TYR 305 4M9X -29.13 -47.55 34.8 # B P 330 # PRO 330 4M9X -28.99 -44.28 32.82 # B A 331 # ALA 331 4M9X -33.91 -43.93 33.64 # B M 334 # MET 334 4M9X -32.16 -37.16 33.18 # B T 367 # THR 367 4M9X -30.0 -36.85 36.35 # B P 368 # PRO 368 4M9X -27.23 -37.93 33.93 # B Y 369 # TYR 369 4KR7 -17.29 -3.31 -10.27 # A L 178 # LEU 180 4KR7 -14.17 -1.15 -10.59 # A L 179 # LEU 181 4KR7 -11.52 -1.77 -13.24 # A S 180 # SER 182 4KR7 -10.09 2.26 -16.21 # A G 182 # GLY 184 4KR7 -11.31 5.79 -16.73 # A I 183 # ILE 185 4KR7 -15.05 5.2 -16.43 # A D 184 # ASP 186 4KR7 -15.2 2.95 -13.31 # A S 185 # SER 187 4KR7 -14.6 -5.53 -6.45 # A V 202 # VAL 204 4KR7 -11.87 -5.86 -9.04 # A T 203 # THR 205 4KR7 -11.01 -8.88 -11.16 # A F 204 # PHE 206 4KR7 -18.57 -10.35 -17.73 # A R 262 # ARG 264 4KR7 -17.98 -11.39 -13.04 # A M 265 # MET 267 4KR7 -20.58 0.01 -13.25 # A T 283 # THR 285 4KR7 -18.9 2.53 -15.55 # A G 284 # GLY 286 4KR7 -20.67 1.02 -18.52 # A E 285 # GLU 287 4KR7 -21.61 3.41 -21.3 # A N 286 # ASN 288 4KR7 -18.45 4.32 -27.07 # A Q 289 # GLN 291 4KR7 -21.05 -1.76 -26.09 # A Q 293 # GLN 295 3LKI 12.72 -0.54 28.44 # B R 156 # ARG 178 3LKI 13.11 9.37 18.01 # B K 180 # LYS 203 3LKI 18.79 5.1 14.96 # B T 215 # THR 238 3LKI 21.16 2.15 15.3 # B D 216 # ASP 239 3LKI 24.83 2.0 16.39 # B A 217 # ALA 240 3LKI 20.52 7.47 11.34 # B V 221 # VAL 244 3LKI 27.84 9.34 11.57 # B T 234 # THR 257 3LKI 31.34 10.14 12.78 # B F 235 # PHE 258 3LKI 35.12 7.16 16.8 # B V 237 # VAL 260 3LKI 33.75 3.42 21.59 # B V 239 # VAL 262 3LKI 24.7 7.63 23.42 # B A 245 # ALA 268 3LKI 21.14 8.13 22.17 # B G 246 # GLY 269 3LKI 20.3 10.71 24.83 # B D 247 # ASP 270 3LKI 22.22 12.6 20.26 # B F 249 # PHE 272 3LKI 25.52 12.84 15.51 # B A 284 # ALA 308 3LKI 26.51 11.36 20.25 # B G 287 # GLY 311 3LKK 17.49 -26.46 -11.7 # B K 7 # LYS 5 3LKK 19.01 -30.01 -16.37 # B G 9 # GLY 7 3LKK 18.05 -30.41 -20.04 # B G 10 # GLY 8 3LKK 20.21 -33.58 -20.0 # B S 11 # SER 9 3LKK 19.97 -34.17 -26.04 # B K 16 # LYS 14 3LKK 18.04 -25.95 -19.19 # B G 46 # GLY 44 3LKK 17.35 -26.82 -22.82 # B G 47 # GLY 45 3LKK 19.25 -29.89 -23.93 # B G 48 # GLY 46 3LKK 21.93 -26.25 -27.8 # B H 52 # HIS 50 3LKK 21.36 -37.27 -15.75 # B D 166 # ASP 164 3LKK 24.32 -38.6 -13.65 # B V 167 # VAL 165 3LKK 26.93 -36.2 -9.25 # B G 169 # GLY 167 3LKK 30.37 -34.83 -10.03 # B I 170 # ILE 168 3LKK 32.81 -37.68 -10.86 # B Y 171 # TYR 169 3LKK 36.03 -38.08 -14.76 # B K 173 # LYS 171 3LKK 33.17 -38.41 -17.25 # B D 174 # ASP 172 3LKK 31.17 -41.37 -15.87 # B P 175 # PRO 173 3LKK 29.68 -42.23 -19.25 # B K 176 # LYS 174 3LKK 30.55 -29.77 -16.64 # B I 195 # ILE 202 3LKK 28.9 -25.8 -14.24 # B K 198 # LYS 205 4ERP -42.45 -169.73 53.4 # D V 5 # VAL 7 4ERP -43.94 -169.4 47.26 # D K 7 # LYS 9 4ERP -43.75 -166.93 44.35 # D R 8 # ARG 10 4ERP -47.04 -168.51 43.32 # D D 9 # ASP 11 4ERP -45.5 -173.52 52.47 # D E 13 # GLU 15 4ERP -43.25 -174.83 55.23 # D R 14 # ARG 16 4ERP -39.51 -174.29 54.84 # D I 15 # ILE 17 4ERP -37.87 -177.09 52.87 # D N 16 # ASN 18 4ERP -35.41 -177.71 47.93 # D K 19 # LYS 21 4ERP -32.73 -175.01 48.02 # D I 20 # ILE 22 4ERP -31.43 -175.65 43.03 # D V 23 # VAL 25 4ERP -39.39 -167.5 47.81 # D T 53 # THR 55 4ERP -33.8 -167.26 45.48 # D H 57 # HIS 59 4ERP -33.83 -169.53 35.95 # D F 85 # PHE 87 4ERP -39.97 -168.01 35.44 # D K 89 # LYS 91 1EE1 3.9 65.54 47.5 # A L 43 # LEU 43 1EE1 5.17 62.12 48.5 # A G 44 # GLY 44 1EE1 6.78 62.34 51.97 # A I 45 # ILE 45 1EE1 9.62 59.81 52.38 # A S 46 # SER 46 1EE1 14.23 62.13 53.85 # A G 48 # GLY 48 1EE1 15.65 65.66 53.92 # A Q 49 # GLN 49 1EE1 14.36 66.79 50.5 # A D 50 # ASP 50 1EE1 10.67 65.97 50.75 # A S 51 # SER 51 1EE1 1.34 61.24 50.9 # A V 77 # VAL 77 1EE1 3.25 58.3 52.39 # A R 78 # ARG 78 1EE1 4.17 55.98 49.5 # A L 79 # LEU 79 1EE1 9.2 51.13 55.05 # A Q 84 # GLN 84 1EE1 4.98 56.71 42.98 # A R 139 # ARG 139 1EE1 12.01 67.48 45.21 # A T 157 # THR 157 1EE1 20.93 65.52 42.51 # A E 162 # GLU 162 1EE1 10.63 61.11 40.97 # A D 173 # ASP 173 1EE1 22.41 69.55 49.76 # A K 186 # LYS 186 1EE1 20.31 60.33 51.85 # A P 207 # PRO 207 1EE1 18.8 57.22 50.24 # A T 208 # THR 208 2Q0D 18.32 16.63 -48.15 # A F 44 # PHE 52 2Q0D 20.02 19.75 -46.65 # A G 45 # GLY 53 2Q0D 19.02 21.17 -43.18 # A S 46 # SER 54 2Q0D 15.43 27.8 -44.7 # A S 57 # SER 65 2Q0D 14.54 26.37 -48.09 # A D 58 # ASP 66 2Q0D 16.69 20.74 -50.88 # A D 60 # ASP 68 2Q0D 28.69 23.77 -60.48 # A R 113 # ARG 121 2Q0D 23.66 15.79 -51.42 # A G 136 # GLY 144 2Q0D 26.35 14.25 -47.04 # A N 139 # ASN 147 2Q0D 23.08 15.19 -45.31 # A S 140 # SER 148 2Q0D 24.28 29.03 -38.93 # A K 161 # LYS 169 2Q0D 23.88 34.67 -42.06 # A K 165 # LYS 173 2Q0D 27.75 27.92 -47.17 # A T 179 # THR 187 2Q0D 25.58 26.65 -44.26 # A S 180 # SER 188 2Q0D 26.81 23.17 -45.27 # A Y 181 # TYR 189 2Q0D 36.5 19.72 -53.63 # A L 295 # LEU 303 2Q0D 34.12 23.67 -49.55 # A V 297 # VAL 305 2Q0D 37.32 27.34 -52.1 # A R 299 # ARG 307 1CSN -30.43 47.78 46.97 # A I 13 # ILE 18 1CSN -27.68 46.06 48.92 # A G 14 # GLY 19 1CSN -26.86 43.3 51.36 # A E 15 # GLU 20 1CSN -23.9 42.75 53.66 # A G 16 # GLY 21 1CSN -22.8 40.26 56.3 # A S 17 # SER 22 1CSN -27.38 44.15 57.24 # A G 19 # GLY 24 1CSN -29.8 48.31 52.71 # A I 21 # ILE 26 1CSN -30.66 54.69 51.94 # A A 34 # ALA 39 1CSN -29.38 50.3 56.62 # A K 36 # LYS 41 1CSN -27.91 58.17 55.07 # A I 80 # ILE 85 1CSN -27.75 59.61 51.57 # A D 81 # ASP 86 1CSN -25.64 56.81 46.46 # A L 83 # LEU 88 1CSN -12.49 47.02 49.34 # A K 128 # LYS 133 1CSN -17.51 47.39 47.44 # A D 130 # ASP 135 1CSN -19.6 54.15 45.52 # A L 133 # LEU 138 1CSN -19.52 51.43 55.74 # A D 149 # ASP 154 1Y8Q 16.65 -6.22 7.66 # D G 23 # GLY 26 1Y8Q 15.05 -3.08 6.21 # D G 24 # GLY 27 1Y8Q 18.66 -14.18 8.77 # D D 45 # ASP 48 1Y8Q 22.16 -14.85 10.14 # D L 46 # LEU 49 1Y8Q 22.66 -11.68 12.17 # D D 47 # ASP 50 1Y8Q 19.26 -1.13 12.55 # D N 53 # ASN 56 1Y8Q 14.37 1.38 9.6 # D R 56 # ARG 59 1Y8Q 13.69 -2.18 10.84 # D Q 57 # GLN 60 1Y8Q 16.72 -10.61 13.88 # D K 69 # LYS 72 1Y8Q 21.35 -18.97 10.19 # D D 91 # ASP 94 1Y8Q 22.84 -18.3 6.74 # D S 92 # SER 95 1Y8Q 20.95 -19.56 3.63 # D I 93 # ILE 96 1Y8Q 15.96 -9.06 1.16 # D A 112 # ALA 115 1Y8Q 19.75 -9.5 1.24 # D L 113 # LEU 116 1Y8Q 22.83 -7.27 1.03 # D D 114 # ASP 117 1Y8Q 24.21 -15.11 -1.07 # D A 118 # ALA 121 1Y8Q 32.13 -2.59 10.75 # D K 310 # LYS 346 3H39 13.22 4.4 109.6 # B G 41 # GLY 41 3H39 11.46 7.65 110.21 # B G 42 # GLY 42 3H39 8.3 8.12 106.6 # B R 45 # ARG 45 3H39 17.98 11.96 111.37 # B D 55 # ASP 55 3H39 11.99 -6.44 112.9 # B R 116 # ARG 128 3H39 10.73 -2.86 112.97 # B R 117 # ARG 129 3H39 7.54 -1.7 114.72 # B D 118 # ASP 130 3H39 8.44 2.98 109.95 # B N 122 # ASN 134 3H39 8.3 -5.83 122.49 # B D 162 # ASP 174 3H39 5.22 -0.91 120.87 # B R 165 # ARG 177 3H39 4.47 3.52 120.64 # B R 168 # ARG 180 3H39 1.98 7.85 120.35 # B R 171 # ARG 183 3H39 1.11 12.38 116.2 # B R 175 # ARG 187 3TY5 22.32 8.69 28.52 # A M 20 # MET 496 3TY5 16.08 15.68 39.98 # A Q 54 # GLN 530 3TY5 15.05 14.92 36.4 # A K 55 # LYS 531 3TY5 14.81 19.14 27.09 # A S 59 # SER 535 3TY5 18.62 19.2 27.1 # A R 60 # ARG 536 3TY5 20.93 17.66 21.45 # A R 89 # ARG 565 3TY5 17.93 21.77 30.68 # A E 131 # GLU 607 3TY5 24.3 21.85 35.31 # A F 215 # PHE 704 3TY5 19.99 11.39 37.11 # A V 283 # VAL 772 3TY5 26.3 11.03 38.42 # A K 285 # LYS 774 3TY5 19.16 7.86 34.73 # A K 303 # LYS 792 3V2U -50.74 43.2 -47.95 # C R 43 # ARG 47 3V2U -59.37 36.34 -49.62 # C M 67 # MET 71 3V2U -61.41 25.99 -51.47 # C N 85 # ASN 89 3V2U -56.81 22.45 -50.09 # C F 90 # PHE 94 3V2U -50.2 22.4 -40.97 # C S 111 # SER 115 3V2U -55.5 25.32 -44.17 # C W 113 # TRP 117 3V2U -56.87 29.47 -40.17 # C Y 116 # TYR 120 3V2U -49.67 35.03 -53.12 # C P 153 # PRO 157 3V2U -47.87 33.36 -50.2 # C T 154 # THR 158 3V2U -46.05 36.13 -48.42 # C G 155 # GLY 159 3V2U -48.87 38.61 -49.01 # C G 156 # GLY 160 3V2U -50.38 38.13 -45.56 # C G 157 # GLY 161 3V2U -52.85 35.53 -46.8 # C L 158 # LEU 162 3V2U -53.03 33.76 -43.45 # C S 159 # SER 163 3V2U -58.15 34.56 -44.16 # C F 162 # PHE 166 3V2U -51.19 42.0 -41.17 # C D 205 # ASP 209 3V2U -43.82 28.57 -42.47 # C K 254 # LYS 258 3V2U -41.98 36.83 -42.97 # C A 456 # ALA 460 2J9L 26.78 74.05 85.71 # C K 10 # LYS 587 2J9L 32.41 76.09 90.03 # C L 18 # LEU 595 2J9L 34.34 73.97 92.51 # C T 19 # THR 596 2J9L 30.5 64.04 95.18 # C T 39 # THR 616 2J9L 31.73 65.52 91.91 # C Y 40 # TYR 617 2J9L 33.56 63.06 89.69 # C S 41 # SER 618 2J9L 36.34 65.62 89.29 # C G 42 # GLY 619 2J9L 39.06 71.69 87.12 # C P 44 # PRO 621 2J9L 31.18 72.33 83.33 # C I 145 # ILE 722 2J9L 29.18 66.27 81.97 # C T 147 # THR 724 2J9L 24.93 63.06 82.12 # C K 149 # LYS 726 2J9L 24.23 66.8 81.83 # C D 150 # ASP 727 4QC2 59.31 23.49 82.52 # B Y 12 # TYR 13 4QC2 59.15 19.31 85.84 # B R 15 # ARG 16 4QC2 59.32 16.38 80.9 # B V 17 # VAL 18 4QC2 49.86 11.24 77.32 # B N 37 # ASN 38 4QC2 52.38 13.76 78.66 # B G 38 # GLY 39 4QC2 55.37 11.36 78.44 # B A 39 # ALA 40 4QC2 57.26 14.0 76.37 # B G 40 # GLY 41 4QC2 56.9 13.0 72.71 # B K 41 # LYS 42 4QC2 55.71 16.34 71.23 # B T 42 # THR 43 4QC2 58.43 18.05 73.39 # B T 43 # THR 44 4QC2 49.8 17.58 66.33 # B Q 84 # GLN 85 4QC2 49.63 12.0 65.59 # B E 162 # GLU 163 4QC2 47.89 6.25 69.82 # B H 194 # HIS 195 3J1F 60.94 5.22 -18.91 # M Y 23 # TYR 50 3J1F 64.56 4.14 -19.21 # M G 24 # GLY 51 3J1F 66.42 0.79 -19.68 # M P 25 # PRO 52 3J1F 64.05 10.64 -29.43 # M D 75 # ASP 102 3J1F 63.57 12.01 -25.71 # M G 76 # GLY 103 3J1F 59.75 11.68 -26.32 # M T 77 # THR 104 3J1F 59.04 9.88 -23.05 # M K 78 # LYS 105 3J1F 61.24 12.52 -21.36 # M T 79 # THR 106 3J1F 73.7 10.59 -20.2 # M G 390 # GLY 417 3J1F 72.15 8.83 -17.1 # M G 391 # GLY 418 3J1F 73.37 6.31 -11.66 # M I 460 # ILE 487 3J1F 70.74 1.15 -13.35 # M L 462 # LEU 489 3J1F 73.98 11.38 -25.58 # M E 477 # GLU 504 3J1F 68.11 16.77 -23.97 # M K 482 # LYS 509 4B0S -23.15 12.82 -31.22 # A V 4 # VAL 4 4B0S -21.33 12.64 -27.94 # A M 5 # MET 5 4B0S -18.1 13.53 -26.2 # A G 6 # GLY 6 4B0S -16.29 12.82 -22.97 # A I 7 # ILE 7 4B0S -14.5 15.61 -21.15 # A E 8 # GLU 8 4B0S -9.37 19.69 -26.44 # A R 46 # ARG 90 4B0S -7.23 22.91 -21.24 # A Y 48 # TYR 92 4B0S -10.63 23.63 -15.96 # A D 50 # ASP 94 4B0S -8.92 18.55 -18.82 # A E 55 # GLU 99 4B0S -12.24 16.82 -24.15 # A S 57 # SER 101 4B0S -12.53 14.17 -26.83 # A T 58 # THR 102 4B0S -13.37 15.23 -30.36 # A P 59 # PRO 103 4B0S -17.08 14.83 -31.13 # A E 60 # GLU 104 4B0S -18.4 15.0 -18.21 # A H 111 # HIS 155 4B0S -21.97 15.39 -23.62 # A N 113 # ASN 157 4B0S -24.78 14.12 -25.83 # A Y 114 # TYR 158 4B0S -26.5 15.74 -28.79 # A L 115 # LEU 159 4B0S -26.41 24.01 -18.73 # A R 183 # ARG 227 4B0S -24.23 24.94 -24.59 # A E 185 # GLU 229 4B0S -24.93 23.01 -27.8 # A P 186 # PRO 230 4B0S -21.94 24.38 -29.71 # A H 187 # HIS 231 4B0S -24.3 23.39 -32.51 # A A 188 # ALA 232 4B0S -26.19 19.27 -25.75 # A R 195 # ARG 239 4B0S -24.2 17.78 -20.16 # A H 197 # HIS 241 4B0S -16.66 17.99 -37.56 # A R 389 # ARG 433 4B0S -16.0 23.36 -31.21 # A W 409 # TRP 453 8ICN 76.38 33.47 60.96 # A R 141 # ARG 149 8ICN 76.6 36.27 47.78 # A G 171 # GLY 179 8ICN 78.33 38.56 50.23 # A S 172 # SER 180 8ICN 81.84 40.44 47.83 # A R 175 # ARG 183 8ICN 77.45 35.06 55.59 # A S 180 # SER 188 8ICN 74.16 33.4 56.47 # A G 181 # GLY 189 8ICN 74.27 30.48 54.01 # A D 182 # ASP 190 8ICN 74.9 30.12 47.39 # A D 184 # ASP 192 8ICN 73.26 37.19 42.97 # A F 264 # PHE 272 1R0Z 97.7 12.73 91.01 # C W 14 # TRP 401 1R0Z 101.14 4.58 98.46 # C L 22 # LEU 409 1R0Z 99.49 3.78 101.81 # C E 23 # GLU 410 1R0Z 100.19 14.7 106.44 # C E 31 # GLU 425 1R0Z 96.29 15.76 102.99 # C V 34 # VAL 428 1R0Z 94.03 12.41 98.13 # C F 36 # PHE 430 1R0Z 111.11 13.32 102.94 # C T 66 # THR 460 1R0Z 107.89 13.29 100.95 # C G 67 # GLY 461 1R0Z 109.55 14.47 97.74 # C S 68 # SER 462 1R0Z 108.16 11.88 95.3 # C G 69 # GLY 463 1R0Z 110.94 9.22 95.5 # C K 70 # LYS 464 1R0Z 108.57 6.22 95.77 # C T 71 # THR 465 1R0Z 106.2 7.83 93.29 # C S 72 # SER 466 1R0Z 110.11 0.18 101.41 # C Q 99 # GLN 493 5I0N -26.33 30.28 5.27 # A I 31 # ILE 130 5I0N -21.12 32.64 4.46 # A Q 33 # GLN 132 5I0N -25.74 24.79 3.97 # A S 36 # SER 137 5I0N -30.05 27.49 8.86 # A F 38 # PHE 139 5I0N -27.53 23.55 10.41 # A V 49 # VAL 150 5I0N -26.12 20.21 4.7 # A K 51 # LYS 152 5I0N -23.15 19.62 18.58 # A P 267 # PRO 209 5I0N -26.47 19.52 13.38 # A Q 306 # GLN 261 5I0N -28.03 21.2 16.42 # A L 307 # LEU 262 5I0N -27.49 24.96 16.65 # A F 308 # PHE 263 5I0N -25.76 26.23 19.8 # A V 309 # VAL 264 5I0N -16.5 28.07 18.49 # A L 360 # LEU 315 5I0N -18.47 22.69 14.07 # A I 380 # ILE 345 5I0N -18.16 22.08 10.33 # A D 381 # ASP 346 5I0N 0.64 18.22 5.36 # A W 394 # TRP 359 5I0N 1.27 21.92 4.77 # A R 395 # ARG 360 5I0N -2.42 20.7 8.4 # A P 398 # PRO 363 5I0N -3.8 20.76 11.93 # A F 399 # PHE 364 5I0N -0.99 23.05 16.21 # A A 402 # ALA 367 5I0N 0.47 26.49 15.52 # A W 403 # TRP 368 5I0N 1.24 16.11 15.37 # A V 479 # VAL 444 5I0N 5.02 16.04 14.9 # A Q 480 # GLN 445 3TPQ 4.55 -46.75 17.71 # M Q 24 # GLN 90 1NYR 1.9 46.32 61.02 # A R 362 # ARG 365 1NYR 1.99 42.54 57.09 # A E 364 # GLU 367 1NYR 9.63 44.44 55.19 # A R 374 # ARG 377 1NYR 8.76 43.66 58.82 # A V 375 # VAL 378 1NYR 9.56 48.61 63.14 # A M 378 # MET 381 1NYR 10.13 54.98 62.02 # A L 380 # LEU 383 1NYR 1.72 61.56 49.56 # A K 468 # LYS 471 1NYR 9.97 50.48 47.56 # A E 481 # GLU 484 1NYR 9.04 53.75 49.15 # A T 482 # THR 485 1NYR 11.88 54.96 51.41 # A L 483 # LEU 486 1NYR 7.47 60.09 52.51 # A T 485 # THR 488 1NYR 2.05 63.5 53.37 # A Q 487 # GLN 490 1NYR 12.62 55.98 56.77 # A S 519 # SER 522 1NYR 12.18 53.09 59.18 # A T 520 # THR 523 1NYR 14.33 49.33 55.74 # A R 523 # ARG 526 3C4W -103.21 49.15 -57.86 # B L 186 # LEU 193 3C4W -105.53 52.13 -57.88 # B G 187 # GLY 194 3C4W -105.81 55.91 -57.97 # B R 188 # ARG 195 3C4W -106.72 58.33 -55.2 # B G 189 # GLY 196 3C4W -107.26 62.06 -54.69 # B G 190 # GLY 197 3C4W -101.49 53.44 -54.94 # B V 194 # VAL 201 3C4W -99.62 48.59 -51.2 # B A 207 # ALA 214 3C4W -100.17 54.94 -51.15 # B K 209 # LYS 216 3C4W -99.58 49.03 -45.94 # B M 257 # MET 264 3C4W -101.37 45.7 -46.31 # B T 258 # THR 265 3C4W -105.44 44.1 -50.92 # B M 260 # MET 267 3C4W -111.18 45.98 -49.91 # B L 314 # LEU 321 3C4W -109.47 55.14 -46.36 # B D 325 # ASP 332 5FWP 174.15 175.7 145.24 # A E 33 # GLU 42 5FWP 177.68 175.73 140.2 # A N 37 # ASN 46 5FWP 180.67 178.01 140.16 # A A 38 # ALA 47 5FWP 182.35 175.69 135.8 # A A 41 # ALA 50 5FWP 184.93 172.4 133.22 # A K 44 # LYS 53 5FWP 182.61 182.58 138.89 # A D 79 # ASP 88 5FWP 181.01 180.2 131.78 # A G 83 # GLY 92 5FWP 178.1 179.81 129.37 # A M 84 # MET 93 5FWP 170.66 175.13 130.04 # A N 92 # ASN 101 5FWP 170.27 177.98 132.47 # A L 93 # LEU 102 5FWP 172.11 170.73 133.11 # A S 99 # SER 108 5FWP 175.25 171.02 131.1 # A G 100 # GLY 109 5FWP 177.04 168.93 133.72 # A T 101 # THR 110 5FWP 175.19 167.43 141.4 # A G 118 # GLY 127 5FWP 173.02 167.01 138.3 # A Q 119 # GLN 128 5FWP 169.39 167.99 138.39 # A F 120 # PHE 129 5FWP 169.33 171.21 136.33 # A G 121 # GLY 130 5FWP 167.0 172.83 138.84 # A V 122 # VAL 131 5FWP 169.07 174.11 141.81 # A G 123 # GLY 132 5FWP 169.86 177.38 140.05 # A F 124 # PHE 133 5FWP 180.12 184.56 135.04 # A T 170 # THR 179 5FWP 170.24 167.0 148.43 # A R 340 # ARG 392 3HAV -60.24 37.98 5.69 # B L 24 # LEU 24 3HAV -59.34 40.99 7.83 # B S 25 # SER 25 3HAV -56.63 48.01 4.46 # B S 30 # SER 30 3HAV -59.05 42.2 2.5 # B T 32 # THR 32 3HAV -57.99 37.54 -2.18 # B V 40 # VAL 40 3HAV -56.89 43.86 -0.95 # B K 42 # LYS 42 3HAV -54.37 37.67 -5.98 # B M 85 # MET 85 3HAV -55.32 33.99 -5.92 # B K 86 # LYS 86 3HAV -56.39 32.38 -2.66 # B Y 87 # TYR 87 3HAV -53.79 29.89 -1.44 # B I 88 # ILE 88 3HAV -47.54 35.13 1.17 # B I 209 # ILE 209 3HAV -47.23 38.81 2.14 # B D 210 # ASP 210 3WT0 25.22 -31.0 0.25 # D G 10 # GLY 12 3WT0 28.33 -29.09 1.3 # D S 11 # SER 13 3WT0 28.7 -31.43 4.28 # D S 12 # SER 14 3WT0 27.33 -34.66 2.84 # D S 13 # SER 15 3WT0 22.21 -37.58 0.85 # D K 15 # LYS 17 3WT0 23.24 -26.61 6.61 # D G 206 # GLY 208 3WT0 27.04 -26.45 6.67 # D E 207 # GLU 209 3WT0 27.99 -23.68 4.25 # D D 208 # ASP 210 3WT0 24.52 -22.47 3.3 # D V 209 # VAL 211 3WT0 27.29 -24.86 10.54 # D G 230 # GLY 232 3WT0 33.34 -30.26 14.95 # D E 249 # GLU 251 3WT0 30.0 -29.06 18.46 # D K 252 # LYS 254 3WT0 28.13 -32.35 18.12 # D H 253 # HIS 255 3WT0 18.86 -28.98 8.18 # D G 322 # GLY 324 3WT0 21.81 -30.57 9.97 # D G 323 # GLY 325 3WT0 22.55 -27.59 12.21 # D S 324 # SER 326 3WT0 20.41 -30.8 15.47 # D N 326 # ASN 328 3WT0 22.17 -28.25 17.68 # D L 327 # LEU 329 3WT0 19.42 -33.06 7.52 # D E 356 # GLU 358 1JJV 13.7 25.27 11.17 # A I 11 # ILE 11 1JJV 12.93 26.18 14.77 # A G 12 # GLY 12 1JJV 16.39 25.28 16.07 # A S 13 # SER 13 1JJV 17.28 28.75 17.43 # A G 14 # GLY 14 1JJV 19.41 30.4 14.74 # A K 15 # LYS 15 1JJV 17.99 33.87 15.6 # A T 16 # THR 16 1JJV 18.41 33.35 19.32 # A T 17 # THR 17 1JJV 9.62 25.38 19.13 # A R 134 # ARG 140 1JJV 19.66 24.29 22.08 # A N 164 # ASN 175 1JJV 17.04 22.57 26.83 # A A 166 # ALA 177 1JJV 14.63 25.43 27.7 # A E 167 # GLU 178 1JJV 16.08 28.94 28.04 # A L 168 # LEU 179 5K3J -33.34 -11.09 35.15 # A H 338 # HIS 340 5K3J -30.27 -9.24 33.89 # A R 339 # ARG 341 5K3J -28.08 -5.33 13.25 # A S 388 # SER 390 5K3J -30.56 -6.57 15.88 # A V 389 # VAL 391 5K3J -27.19 -4.47 19.16 # A H 392 # HIS 394 5K3J -25.33 -6.44 31.61 # A Q 400 # GLN 402 5K3J -26.7 -0.95 11.76 # A N 433 # ASN 435 5K3J -29.17 1.82 10.88 # A M 434 # MET 436 5K3J -32.02 -2.08 9.16 # A L 437 # LEU 439 5K3J -39.04 -0.48 13.79 # A R 523 # ARG 525 5K3J -36.41 -5.1 14.04 # A R 526 # ARG 528 5K3J -39.05 -11.63 27.91 # A Y 563 # TYR 565 5K3J -39.81 -5.73 25.6 # A D 567 # ASP 569 5K3J -46.6 -3.17 19.71 # A Y 571 # TYR 573 4WB7 9.12 -8.73 -35.59 # A L 104 # LEU 104 4WB7 11.99 -7.49 -33.47 # A G 105 # GLY 105 4WB7 15.55 -6.2 -33.41 # A T 106 # THR 106 4WB7 18.39 -6.45 -30.89 # A G 107 # GLY 107 4WB7 22.0 -5.38 -30.55 # A S 108 # SER 108 4WB7 23.08 -7.91 -33.16 # A F 109 # PHE 109 4WB7 20.28 -9.07 -35.44 # A G 110 # GLY 110 4WB7 14.14 -11.02 -36.81 # A V 112 # VAL 112 4WB7 10.84 -16.23 -37.64 # A A 125 # ALA 125 4WB7 17.0 -14.05 -37.6 # A K 127 # LYS 127 4WB7 12.16 -22.2 -29.4 # A V 159 # VAL 159 4WB7 13.06 -20.44 -35.97 # A M 175 # MET 175 4WB7 9.53 -21.5 -35.25 # A E 176 # GLU 176 4WB7 6.09 -17.55 -31.72 # A V 178 # VAL 178 4WB7 7.46 -10.69 -26.07 # A E 182 # GLU 182 4WB7 20.61 -13.41 -21.43 # A D 220 # ASP 221 4WB7 15.04 -10.97 -19.83 # A K 222 # LYS 223 4WB7 12.58 -9.18 -24.25 # A E 224 # GLU 225 4WB7 13.95 -12.68 -24.98 # A N 225 # ASN 226 4WB7 8.0 -15.13 -26.15 # A L 227 # LEU 228 4WB7 14.64 -17.26 -27.78 # A T 237 # THR 238 4WB7 18.02 -15.52 -28.38 # A D 238 # ASP 239 4WB7 4.63 -7.23 -31.76 # A F 380 # PHE 382 1ZP9 -23.92 3.72 55.74 # A I 52 # ILE 55 1ZP9 -22.55 0.4 54.46 # A S 53 # SER 56 1ZP9 -17.25 -8.5 57.16 # A E 57 # GLU 60 1ZP9 -18.62 -5.28 58.6 # A A 58 # ALA 61 1ZP9 -21.35 0.78 59.27 # A V 60 # VAL 63 1ZP9 -19.55 6.17 62.43 # A A 74 # ALA 78 1ZP9 -18.64 0.04 62.62 # A K 76 # LYS 80 1ZP9 -17.95 -6.66 62.63 # A Y 78 # TYR 82 1ZP9 -11.12 9.13 61.97 # A P 118 # PRO 135 1ZP9 -15.44 10.1 64.21 # A E 129 # GLU 148 1ZP9 -18.02 10.53 61.4 # A F 130 # PHE 149 1ZP9 -16.25 11.74 58.25 # A I 131 # ILE 150 1ZP9 -14.21 7.54 48.9 # A T 140 # THR 159 1ZP9 -10.43 2.92 51.56 # A N 182 # ASN 201 1ZP9 -10.09 4.14 56.88 # A I 191 # ILE 211 1ZP9 -10.51 0.36 57.22 # A D 192 # ASP 212 4NDO 51.91 11.69 13.59 # B K 40 # LYS 42 4NDO 55.62 7.53 16.1 # B G 42 # GLY 44 4NDO 58.07 7.82 18.97 # B G 43 # GLY 45 4NDO 58.68 4.21 19.8 # B Q 44 # GLN 46 4NDO 57.69 3.0 16.36 # B S 45 # SER 47 4NDO 55.34 10.77 19.44 # B G 75 # GLY 77 4NDO 57.25 10.13 22.69 # B A 76 # ALA 78 4NDO 58.43 6.53 23.01 # B G 77 # GLY 79 4NDO 50.5 11.72 21.41 # B T 167 # THR 169 4NDO 53.79 3.58 12.93 # B K 187 # LYS 189 4NDO 55.88 0.45 12.42 # B D 188 # ASP 190 4NDO 48.08 -1.31 9.81 # B G 191 # GLY 193 4NDO 45.56 -2.95 12.09 # B L 192 # LEU 194 4NDO 45.45 -6.73 12.52 # B Y 193 # TYR 195 4NDO 45.74 -9.31 17.02 # B A 195 # ALA 197 4NDO 49.12 -7.72 17.8 # B N 196 # ASN 198 4NDO 51.28 -8.79 14.86 # B P 197 # PRO 199 4NDO 54.48 -8.63 16.93 # B K 198 # LYS 200 4NDO 45.67 -2.01 19.95 # B S 222 # SER 224 4NDO 47.47 0.18 17.41 # B I 223 # ILE 225 1OS1 27.08 4.1 6.97 # A L 246 # LEU 249 1OS1 30.18 6.11 7.76 # A S 247 # SER 250 1OS1 29.44 9.31 9.7 # A G 248 # GLY 251 1OS1 25.68 8.84 10.11 # A T 249 # THR 252 1OS1 25.57 8.63 13.9 # A G 250 # GLY 253 1OS1 26.23 5.01 14.9 # A K 251 # LYS 254 1OS1 29.07 5.96 17.21 # A T 252 # THR 255 1OS1 27.73 9.24 18.59 # A T 253 # THR 256 1OS1 30.25 -0.7 14.59 # A D 266 # ASP 269 1OS1 35.48 10.26 13.9 # A K 285 # LYS 288 1OS1 39.92 9.19 13.56 # A R 330 # ARG 333 1OS1 20.46 12.31 11.11 # A T 438 # THR 441 1OS1 22.02 19.06 9.77 # A R 446 # ARG 449 1OS1 19.46 18.12 12.38 # A I 447 # ILE 450 1OS1 20.99 19.03 15.75 # A S 448 # SER 451 1OS1 22.58 16.26 17.86 # A I 449 # ILE 452 1OS1 18.38 13.51 17.41 # A T 452 # THR 455 1QL6 14.09 10.44 11.74 # A L 15 # LEU 25 1QL6 15.51 14.01 12.09 # A G 16 # GLY 26 1QL6 18.1 19.79 15.33 # A G 18 # GLY 28 1QL6 18.52 17.02 19.34 # A S 21 # SER 31 1QL6 14.58 12.26 16.95 # A V 23 # VAL 33 1QL6 9.06 8.9 18.0 # A A 36 # ALA 46 1QL6 13.05 13.48 20.67 # A K 38 # LYS 48 1QL6 3.15 9.55 18.41 # A D 94 # ASP 104 1QL6 4.2 10.42 12.14 # A M 96 # MET 106 1QL6 7.39 16.43 6.98 # A E 100 # GLU 110 1QL6 9.6 21.13 8.56 # A E 143 # GLU 153 1QL6 7.53 21.46 11.79 # A N 144 # ASN 154 1QL6 4.16 16.5 9.91 # A L 146 # LEU 156 1QL6 8.04 21.47 17.39 # A D 157 # ASP 167 1J1Z -31.33 56.69 15.49 # B A 6 # ALA 6 1J1Z -34.88 55.9 16.58 # B Y 7 # TYR 7 1J1Z -35.54 55.48 20.29 # B S 8 # SER 8 1J1Z -40.5 58.03 21.68 # B G 10 # GLY 10 1J1Z -42.56 61.04 20.58 # B L 11 # LEU 11 1J1Z -39.67 63.25 19.44 # B D 12 # ASP 12 1J1Z -37.83 60.68 17.27 # B T 13 # THR 13 1J1Z -32.54 51.96 13.88 # B F 31 # PHE 31 1J1Z -33.37 51.16 17.5 # B T 32 # THR 32 1J1Z -30.65 49.72 19.71 # B A 33 # ALA 33 1J1Z -33.13 50.7 28.42 # B Q 37 # GLN 37 1J1Z -23.61 57.01 22.36 # B R 92 # ARG 92 1J1Z -25.21 53.67 18.55 # B I 95 # ILE 95 1J1Z -30.47 61.73 15.62 # B H 113 # HIS 113 1J1Z -32.71 63.66 17.98 # B G 114 # GLY 114 1J1Z -30.13 64.99 20.45 # B A 115 # ALA 115 1J1Z -23.05 61.08 17.86 # B F 125 # PHE 125 1Y56 105.67 80.73 39.06 # A G 107 # GLY 113 1Y56 102.49 81.67 44.1 # A G 109 # GLY 115 1Y56 103.61 83.28 47.39 # A P 110 # PRO 116 1Y56 107.26 82.59 46.46 # A A 111 # ALA 117 1Y56 102.09 82.11 35.79 # A E 129 # GLU 135 1Y56 100.17 79.59 33.71 # A E 130 # GLU 136 1Y56 97.29 79.58 36.11 # A R 131 # ARG 137 1Y56 99.51 80.11 44.46 # A G 136 # GLY 142 1Y56 98.29 76.97 45.99 # A D 137 # ASP 143 1Y56 101.21 81.85 30.59 # A T 173 # THR 179 1Y56 107.06 78.84 30.46 # A A 175 # ALA 181 1Y56 109.25 79.84 42.06 # A A 206 # ALA 212 1Y56 107.79 76.82 40.53 # A T 207 # THR 213 1Y56 105.92 75.01 43.29 # A G 208 # GLY 214 1Y56 102.85 67.72 47.93 # A R 303 # ARG 309 1Y56 109.31 78.27 47.63 # A G 342 # GLY 348 1Y56 107.78 74.8 47.71 # A S 343 # SER 349 1Y56 102.99 79.48 52.73 # A H 350 # HIS 356 1Y56 107.83 80.16 50.92 # A N 353 # ASN 359 1Y56 108.81 71.48 30.28 # A I 474 # ILE 480 1Y56 105.19 72.21 29.4 # A K 475 # LYS 481 2E5Y 19.04 27.27 15.39 # A D 12 # ASP 12 2E5Y 26.37 22.78 15.72 # A A 81 # ALA 81 2E5Y 24.04 19.06 21.19 # A E 83 # GLU 83 2E5Y 19.87 15.09 22.95 # A D 87 # ASP 87 2E5Y 22.4 13.2 20.78 # A I 88 # ILE 88 2E5Y 20.73 10.66 18.44 # A D 89 # ASP 89 2E5Y 22.23 8.9 13.61 # A R 92 # ARG 92 2E5Y 25.8 9.58 14.71 # A A 93 # ALA 93 2E5Y 29.15 6.85 6.04 # A R 99 # ARG 99 2E5Y 35.33 17.53 4.87 # A R 115 # ARG 115 2E5Y 31.88 15.19 14.38 # A R 122 # ARG 122 2E5Y 28.91 12.94 19.35 # A R 126 # ARG 126