==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2016 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAR-08 3CHP . COMPND 2 MOLECULE: LEUKOTRIENE A-4 HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.M.G.M.THUNNISSEN,M.ADLER,M.WHITLOW . 608 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23870.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 443 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 44 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 1 0 1 0 2 4 2 3 0 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 2 2 2 2 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 3 A I 0 0 139 0, 0.0 2,-0.3 0, 0.0 11,-0.2 0.000 360.0 360.0 360.0 143.5 -1.8 23.3 65.5 2 4 A V - 0 0 97 8,-0.1 2,-0.8 9,-0.1 306,-0.0 -0.928 360.0-122.3-130.1 149.2 -2.9 27.0 65.7 3 5 A D > - 0 0 21 -2,-0.3 3,-1.7 1,-0.1 305,-0.0 -0.797 19.7-161.6 -88.8 109.6 -1.3 30.4 65.9 4 6 A T T 3 S+ 0 0 43 -2,-0.8 365,-0.4 1,-0.3 -1,-0.1 0.560 86.9 60.2 -72.3 -6.7 -2.7 32.0 69.1 5 7 A C T 3 S+ 0 0 1 363,-0.1 2,-0.3 364,-0.1 -1,-0.3 0.479 95.9 74.9 -95.8 -5.1 -1.7 35.5 67.9 6 8 A S < - 0 0 21 -3,-1.7 141,-0.1 1,-0.1 139,-0.1 -0.845 51.6-168.0-113.5 147.2 -3.8 35.3 64.7 7 9 A L + 0 0 30 -2,-0.3 -1,-0.1 73,-0.2 138,-0.1 0.467 63.5 103.3-102.2 -7.4 -7.6 35.7 64.2 8 10 A A S S- 0 0 12 1,-0.1 44,-0.2 136,-0.1 -2,-0.1 -0.216 89.2 -83.8 -71.7 161.5 -7.3 34.5 60.6 9 11 A S - 0 0 19 42,-2.4 -1,-0.1 1,-0.1 44,-0.1 -0.448 59.5-108.1 -58.4 138.9 -8.3 31.0 59.3 10 12 A P >> - 0 0 44 0, 0.0 4,-1.9 0, 0.0 3,-1.8 -0.193 21.6-106.0 -71.0 164.6 -5.2 28.7 59.9 11 13 A A T 34 S+ 0 0 19 1,-0.3 -9,-0.1 2,-0.2 -2,-0.1 0.739 118.2 68.9 -60.6 -23.4 -2.9 27.3 57.3 12 14 A S T 34 S+ 0 0 75 -11,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.266 108.1 35.6 -82.3 11.4 -4.7 24.0 57.8 13 15 A V T <4 S- 0 0 26 -3,-1.8 30,-2.6 1,-0.5 31,-0.6 0.553 133.8 -17.1-126.0 -39.5 -7.8 25.4 56.2 14 16 A C E < -A 42 0A 1 -4,-1.9 -1,-0.5 28,-0.3 2,-0.4 -0.973 56.7-147.5-162.8 160.5 -6.4 27.7 53.5 15 17 A R E -A 41 0A 92 26,-2.8 26,-3.1 -2,-0.3 2,-0.5 -0.997 17.5-128.4-139.7 132.4 -3.2 29.4 52.5 16 18 A T E +A 40 0A 4 -2,-0.4 24,-0.3 24,-0.2 135,-0.2 -0.683 26.8 175.4 -76.4 125.5 -2.4 32.6 50.8 17 19 A K E + 0 0 76 22,-3.5 136,-2.0 -2,-0.5 2,-0.3 0.674 62.8 11.5-103.4 -24.1 -0.0 31.9 48.0 18 20 A H E -Ab 39 153A 49 21,-1.2 21,-2.7 134,-0.2 2,-0.4 -0.997 53.9-157.2-155.1 152.8 0.2 35.3 46.5 19 21 A L E -Ab 38 154A 4 134,-1.2 136,-3.0 -2,-0.3 2,-0.5 -0.997 4.5-162.9-132.0 129.1 -0.6 39.0 47.0 20 22 A H E -Ab 37 155A 42 17,-2.8 17,-3.1 -2,-0.4 2,-0.6 -0.967 15.7-163.4-108.5 125.1 -1.0 41.7 44.4 21 23 A L E +Ab 36 156A 13 134,-3.3 136,-3.5 -2,-0.5 2,-0.4 -0.916 18.6 168.0-117.4 113.3 -0.8 45.2 45.8 22 24 A R E +Ab 35 157A 103 13,-1.9 13,-2.7 -2,-0.6 2,-0.3 -0.981 26.7 133.3-112.3 134.9 -1.9 48.3 44.1 23 25 A C E -Ab 34 158A 20 134,-1.6 136,-2.4 -2,-0.4 2,-0.4 -0.967 42.7-132.6-172.2 157.9 -2.1 51.4 46.3 24 26 A S E -Ab 33 159A 31 9,-2.6 9,-1.7 -2,-0.3 2,-0.7 -0.940 23.7-124.5-122.6 148.0 -1.2 55.1 46.6 25 27 A V E -A 32 0A 0 134,-3.1 2,-0.9 -2,-0.4 7,-0.2 -0.810 22.2-161.5 -98.5 110.5 0.5 56.8 49.6 26 28 A D E >> +A 31 0A 30 5,-2.7 5,-2.0 -2,-0.7 4,-0.6 -0.764 13.3 177.6-100.6 99.9 -1.6 59.7 50.9 27 29 A F T 45S+ 0 0 36 -2,-0.9 -1,-0.2 3,-0.2 101,-0.1 0.718 80.0 51.0 -75.4 -23.4 0.5 62.1 53.0 28 30 A T T 45S+ 0 0 105 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.907 120.8 33.1 -80.2 -43.5 -2.2 64.6 53.6 29 31 A R T 45S- 0 0 169 2,-0.1 -2,-0.2 79,-0.0 -1,-0.2 0.493 104.2-133.9 -84.1 -4.9 -4.8 62.1 54.8 30 32 A R T <5 + 0 0 91 -4,-0.6 2,-0.3 1,-0.2 -3,-0.2 0.926 63.3 122.6 48.6 51.4 -1.9 60.0 56.3 31 33 A T E < -A 26 0A 7 -5,-2.0 -5,-2.7 77,-0.1 2,-0.6 -0.977 61.8-135.8-140.2 152.9 -3.4 56.9 54.8 32 34 A L E -A 25 0A 3 -2,-0.3 74,-2.0 -7,-0.2 2,-0.4 -0.956 30.7-177.4-104.6 119.2 -2.6 54.0 52.4 33 35 A T E +AC 24 105A 55 -9,-1.7 -9,-2.6 -2,-0.6 2,-0.3 -0.909 26.0 88.2-117.4 146.2 -5.4 53.3 50.0 34 36 A G E -AC 23 104A 14 70,-1.7 70,-2.4 -2,-0.4 2,-0.4 -0.992 66.1 -63.4 165.1-161.5 -5.6 50.6 47.4 35 37 A T E -AC 22 103A 25 -13,-2.7 -13,-1.9 -2,-0.3 2,-0.6 -0.968 26.5-154.0-126.3 139.8 -6.5 47.0 46.6 36 38 A A E -AC 21 102A 0 66,-2.7 66,-1.8 -2,-0.4 2,-0.9 -0.897 9.5-163.9-116.6 103.1 -5.1 43.8 48.0 37 39 A A E -AC 20 101A 12 -17,-3.1 -17,-2.8 -2,-0.6 2,-0.6 -0.756 11.0-169.8 -91.8 104.8 -5.5 40.9 45.6 38 40 A L E -AC 19 100A 4 62,-2.5 62,-2.2 -2,-0.9 2,-0.9 -0.834 16.3-151.3 -99.7 122.4 -4.9 37.7 47.6 39 41 A T E -AC 18 99A 36 -21,-2.7 -22,-3.5 -2,-0.6 -21,-1.2 -0.828 25.2-170.6 -87.5 107.3 -4.5 34.3 45.8 40 42 A V E -AC 16 98A 3 58,-2.6 58,-2.3 -2,-0.9 2,-0.5 -0.801 13.0-156.1-100.5 140.4 -5.8 31.9 48.4 41 43 A Q E -AC 15 97A 26 -26,-3.1 -26,-2.8 -2,-0.4 56,-0.2 -0.965 17.2-133.1-113.2 129.2 -5.6 28.1 48.2 42 44 A S E -A 14 0A 1 54,-2.9 53,-1.5 -2,-0.5 -28,-0.3 -0.422 13.5-167.1 -75.1 154.7 -8.1 25.9 50.1 43 45 A Q S S+ 0 0 39 -30,-2.6 2,-0.3 51,-0.2 -29,-0.2 0.274 72.6 44.2-120.3 3.7 -6.8 23.0 52.1 44 46 A E S > S- 0 0 68 -31,-0.6 3,-0.6 49,-0.1 2,-0.2 -0.930 86.5-100.1-142.6 164.2 -10.3 21.4 52.7 45 47 A D T 3 S+ 0 0 87 48,-0.3 48,-0.3 -2,-0.3 3,-0.2 -0.563 99.3 21.4 -85.5 152.1 -13.4 20.7 50.6 46 48 A N T 3 S+ 0 0 94 46,-0.3 2,-0.8 1,-0.2 47,-0.2 0.775 73.4 176.5 66.1 27.2 -16.5 22.9 50.7 47 49 A L E < +H 92 0B 5 45,-3.2 45,-2.5 -3,-0.6 -1,-0.2 -0.544 7.5 164.5 -64.8 107.0 -14.5 25.9 52.0 48 50 A R E + 0 0 163 -2,-0.8 40,-3.2 1,-0.3 2,-0.3 0.743 60.0 15.8 -98.4 -29.8 -17.3 28.4 51.9 49 51 A S E -H 87 0B 43 38,-0.2 -1,-0.3 -3,-0.1 2,-0.3 -0.991 57.9-171.2-150.9 136.4 -15.8 31.2 54.1 50 52 A L E -H 86 0B 2 36,-1.1 36,-2.3 -2,-0.3 2,-0.4 -0.825 18.9-130.3-120.6 165.6 -12.3 32.2 55.3 51 53 A V E -H 85 0B 24 -2,-0.3 -42,-2.4 34,-0.2 2,-0.3 -0.954 14.9-162.0-122.0 136.2 -11.2 34.8 57.9 52 54 A L E -H 84 0B 2 32,-2.7 32,-2.8 -2,-0.4 2,-0.3 -0.773 22.9-113.8-108.8 157.3 -8.5 37.5 57.6 53 55 A D B +J 144 0C 0 91,-3.3 91,-1.4 -2,-0.3 2,-0.3 -0.644 38.9 170.5 -81.8 145.4 -6.7 39.5 60.2 54 56 A T - 0 0 3 28,-0.3 28,-1.6 26,-0.3 2,-0.3 -0.984 20.2-167.6-148.6 155.9 -7.3 43.3 60.4 55 57 A K S S- 0 0 12 84,-1.8 52,-0.3 -2,-0.3 3,-0.1 -0.851 79.4 -25.3-145.8 112.2 -6.5 46.2 62.7 56 58 A D S S+ 0 0 57 -2,-0.3 51,-0.8 1,-0.2 2,-0.5 0.878 92.4 155.5 55.2 40.2 -8.1 49.6 62.2 57 59 A L E -D 106 0A 14 49,-0.2 2,-0.7 25,-0.1 -1,-0.2 -0.852 40.0-143.6 -99.5 131.0 -8.7 48.8 58.5 58 60 A T E -D 105 0A 69 47,-3.2 47,-2.2 -2,-0.5 2,-0.6 -0.854 15.7-152.2 -90.4 114.3 -11.4 50.5 56.6 59 61 A I E +D 104 0A 16 -2,-0.7 45,-0.2 45,-0.2 3,-0.1 -0.793 17.6 178.6 -89.2 120.9 -12.9 48.0 54.1 60 62 A E E - 0 0 104 43,-3.1 2,-0.2 -2,-0.6 44,-0.2 0.810 65.6 -29.2 -91.5 -36.0 -14.3 49.7 51.0 61 63 A K E -D 103 0A 74 42,-1.2 42,-3.1 2,-0.0 2,-0.6 -0.873 45.9-135.6-176.5 149.7 -15.4 46.5 49.2 62 64 A V E -D 102 0A 2 7,-0.4 7,-2.2 -2,-0.2 2,-0.4 -0.905 27.9-168.2-115.2 103.2 -14.5 42.9 48.7 63 65 A V E +DE 101 68A 31 38,-3.2 38,-3.1 -2,-0.6 2,-0.4 -0.778 10.4 177.0 -98.8 130.1 -14.6 41.8 45.1 64 66 A I E > S- E 0 67A 5 3,-3.8 3,-1.3 -2,-0.4 36,-0.1 -0.976 73.2 -9.3-131.6 121.5 -14.5 38.2 43.9 65 67 A N T 3 S- 0 0 121 34,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.896 128.8 -55.1 61.4 42.8 -14.7 37.3 40.2 66 68 A G T 3 S+ 0 0 65 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.250 124.0 96.5 79.3 -15.4 -15.6 40.8 39.2 67 69 A Q E < S-E 64 0A 140 -3,-1.3 -3,-3.8 1,-0.0 -1,-0.2 -0.780 76.3-113.8-110.5 152.0 -18.5 40.8 41.6 68 70 A E E -E 63 0A 132 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.513 32.0-159.5 -80.1 150.2 -18.9 42.1 45.2 69 71 A V - 0 0 19 -7,-2.2 2,-0.7 -2,-0.2 -7,-0.4 -0.841 26.2 -91.6-129.2 166.3 -19.4 39.6 48.1 70 72 A K + 0 0 168 -2,-0.3 17,-1.1 17,-0.2 2,-0.3 -0.686 47.5 172.5 -86.3 111.5 -20.7 39.7 51.6 71 73 A Y E -I 86 0B 84 -2,-0.7 2,-0.3 15,-0.2 15,-0.2 -0.772 13.0-158.5-114.1 160.7 -18.0 40.3 54.2 72 74 A A E -I 85 0B 58 13,-1.4 13,-1.8 -2,-0.3 2,-0.5 -0.997 10.4-143.7-143.9 136.0 -18.2 41.0 58.0 73 75 A L E -I 84 0B 87 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.845 23.9-147.9 -96.6 131.2 -16.0 42.6 60.6 74 76 A G - 0 0 36 9,-3.3 2,-0.2 -2,-0.5 3,-0.1 -0.144 33.6 -66.9 -87.2-174.4 -16.0 41.1 64.0 75 77 A E - 0 0 159 1,-0.1 -1,-0.2 7,-0.1 2,-0.1 -0.496 59.0-102.1 -73.0 141.7 -15.5 42.5 67.5 76 78 A R - 0 0 131 -2,-0.2 2,-0.4 6,-0.2 6,-0.2 -0.393 23.4-157.4 -65.1 137.7 -12.1 43.9 68.3 77 79 A Q > - 0 0 74 4,-2.8 3,-1.9 1,-0.3 4,-0.1 -0.553 41.8-108.7-113.4 65.1 -9.9 41.7 70.5 78 80 A S G > S+ 0 0 80 -2,-0.4 3,-1.3 1,-0.3 -1,-0.3 -0.218 96.9 5.8 45.0-119.6 -7.6 44.4 71.8 79 81 A Y G 3 S+ 0 0 34 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.712 125.7 65.0 -69.0 -21.5 -4.1 44.1 70.4 80 82 A K G < S- 0 0 24 -3,-1.9 -26,-0.3 1,-0.2 -1,-0.3 0.756 96.5-143.5 -70.2 -25.1 -5.1 41.3 67.9 81 83 A G < - 0 0 0 -3,-1.3 -4,-2.8 -4,-0.1 -26,-0.2 -0.610 34.7 -46.0 91.9-157.8 -7.5 43.6 66.0 82 84 A S - 0 0 20 -28,-1.6 -28,-0.3 -6,-0.2 -6,-0.2 -0.953 50.7-118.5-121.8 134.0 -10.8 42.4 64.5 83 85 A P - 0 0 28 0, 0.0 -9,-3.3 0, 0.0 2,-0.6 -0.400 20.1-154.2 -67.0 137.5 -11.5 39.2 62.5 84 86 A M E -HI 52 73B 0 -32,-2.8 -32,-2.7 -11,-0.2 2,-0.7 -0.889 7.3-164.3-116.2 100.3 -12.8 39.8 58.9 85 87 A E E -HI 51 72B 91 -13,-1.8 -13,-1.4 -2,-0.6 2,-0.3 -0.756 6.7-161.7 -89.8 113.6 -14.8 36.8 57.7 86 88 A I E -HI 50 71B 0 -36,-2.3 -36,-1.1 -2,-0.7 2,-0.5 -0.723 11.8-134.4 -95.6 141.3 -15.3 36.8 53.9 87 89 A S E -H 49 0B 55 -17,-1.1 -38,-0.2 -2,-0.3 -17,-0.2 -0.841 13.8-144.7-102.1 125.8 -18.1 34.8 52.2 88 90 A L E - 0 0 16 -40,-3.2 3,-0.1 -2,-0.5 4,-0.0 -0.740 3.3-152.0 -93.9 130.1 -17.2 32.8 49.1 89 91 A P E S+ 0 0 86 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.948 87.0 36.2 -63.3 -50.8 -19.8 32.5 46.3 90 92 A I E S- 0 0 124 -43,-0.0 2,-0.1 -42,-0.0 -43,-0.0 -0.913 94.6-115.2-109.4 130.7 -18.6 29.1 45.1 91 93 A A E - 0 0 31 -2,-0.5 2,-0.2 1,-0.1 -43,-0.2 -0.391 26.6-138.7 -69.5 132.6 -17.3 26.5 47.6 92 94 A L E -H 47 0B 9 -45,-2.5 -45,-3.2 -2,-0.1 -46,-0.3 -0.606 16.4-166.1 -86.3 148.4 -13.6 25.6 47.4 93 95 A S > - 0 0 40 -48,-0.3 3,-2.8 -2,-0.2 -51,-0.3 -0.735 50.0 -31.9-121.9 178.9 -12.3 22.0 47.7 94 96 A K T 3 S- 0 0 109 1,-0.3 -1,-0.2 -2,-0.2 -51,-0.2 0.107 127.6 -11.5 -34.1 126.0 -8.8 20.6 48.3 95 97 A N T 3 S+ 0 0 96 -53,-1.5 2,-0.3 1,-0.2 -1,-0.3 0.484 95.6 139.4 61.1 2.2 -6.1 22.8 46.6 96 98 A Q < - 0 0 94 -3,-2.8 -54,-2.9 -52,-0.2 2,-0.3 -0.621 40.9-148.7 -73.4 137.2 -8.7 24.7 44.7 97 99 A E E -C 41 0A 109 -2,-0.3 2,-0.3 -56,-0.2 -56,-0.2 -0.797 16.9-171.7-111.5 150.2 -7.7 28.4 44.7 98 100 A I E -C 40 0A 33 -58,-2.3 -58,-2.6 -2,-0.3 2,-0.4 -0.997 17.6-137.1-135.5 145.7 -9.7 31.7 44.6 99 101 A V E -C 39 0A 71 -2,-0.3 2,-0.4 -60,-0.2 -34,-0.4 -0.856 19.5-165.7-101.2 133.2 -8.5 35.2 44.1 100 102 A I E -C 38 0A 1 -62,-2.2 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-291,-0.0 5,-0.0 -0.983 66.9-129.4-115.9 126.3 0.2 38.4 75.2 371 373 A D >> - 0 0 25 -2,-0.5 3,-2.3 1,-0.2 4,-1.0 -0.601 20.9-139.4 -67.5 117.2 0.9 41.3 72.9 372 374 A P H 3> S+ 0 0 12 0, 0.0 4,-1.0 0, 0.0 3,-0.3 0.804 99.6 61.6 -55.2 -32.5 4.2 40.1 71.2 373 375 A D H 34 S+ 0 0 8 1,-0.2 -2,-0.0 2,-0.2 -239,-0.0 0.804 103.6 51.9 -61.1 -27.3 5.7 43.6 71.4 374 376 A V H <4 S+ 0 0 44 -3,-2.3 -1,-0.2 1,-0.2 -3,-0.0 0.771 108.5 48.2 -81.9 -28.3 5.4 43.4 75.2 375 377 A A H < S+ 0 0 16 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.632 85.2 121.0 -85.5 -13.2 7.2 40.0 75.5 376 378 A Y < + 0 0 83 -4,-1.0 2,-0.3 2,-0.1 -16,-0.0 -0.236 32.7 125.1 -60.0 134.1 10.0 41.1 73.3 377 379 A S S S- 0 0 15 -17,-0.0 4,-0.4 -16,-0.0 -2,-0.0 -0.937 73.4 -81.7-167.6-173.6 13.5 41.0 74.8 378 380 A S S > S+ 0 0 32 -2,-0.3 4,-3.4 1,-0.2 5,-0.4 0.549 100.5 93.8 -82.1 -6.8 17.0 39.7 74.4 379 381 A V H >>S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.8 0.919 85.9 43.2 -53.7 -53.4 15.9 36.3 75.9 380 382 A P H 45S+ 0 0 17 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.872 118.7 47.0 -65.2 -32.4 15.2 34.6 72.6 381 383 A Y H >5S+ 0 0 41 -4,-0.4 4,-1.4 3,-0.2 -2,-0.2 0.943 124.9 27.6 -64.8 -51.6 18.3 36.0 71.1 382 384 A E H X5S+ 0 0 18 -4,-3.4 4,-2.0 2,-0.2 -3,-0.2 0.812 122.3 46.6 -94.9 -34.1 20.7 35.2 73.9 383 385 A K H X5S+ 0 0 1 -4,-2.7 4,-2.0 -5,-0.4 -1,-0.1 0.889 116.8 49.3 -71.8 -36.1 19.2 32.1 75.5 384 386 A G H >S+ 0 0 5 -4,-2.0 5,-3.1 1,-0.2 4,-0.5 0.942 112.1 42.2 -54.2 -49.2 28.4 23.3 69.4 393 395 A Q H <5S+ 0 0 54 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.860 115.5 50.1 -70.1 -34.5 30.9 22.6 72.2 394 396 A L H <5S+ 0 0 46 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.826 111.7 47.8 -70.5 -32.3 29.1 19.4 73.2 395 397 A L T <5S- 0 0 2 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.356 130.5 -76.3-101.8 3.8 28.9 18.0 69.7 396 398 A G T 5S- 0 0 51 -4,-0.5 4,-0.3 -3,-0.5 -3,-0.2 0.604 79.1 -65.4 115.2 14.0 32.5 18.6 68.6 397 399 A G >< - 0 0 16 -5,-3.1 4,-2.0 -6,-0.2 5,-0.2 -0.266 65.4 -55.6 108.3 175.0 33.1 22.2 67.8 398 400 A P H > S+ 0 0 45 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.852 124.8 55.6 -66.8 -35.9 32.1 24.9 65.3 399 401 A E H > S+ 0 0 172 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.954 111.8 43.9 -59.6 -49.2 33.0 23.1 62.1 400 402 A I H > S+ 0 0 56 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.895 116.6 45.9 -62.5 -40.6 30.8 20.2 63.0 401 403 A F H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.821 105.9 57.9 -78.6 -30.6 27.9 22.3 64.1 402 404 A L H X S+ 0 0 18 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.806 102.4 57.6 -66.6 -27.8 28.1 24.6 61.1 403 405 A G H X S+ 0 0 27 -4,-1.2 4,-1.8 -5,-0.2 -2,-0.2 0.927 108.0 45.5 -63.0 -44.6 27.6 21.5 59.1 404 406 A F H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.926 111.0 54.7 -59.7 -44.3 24.4 20.9 61.1 405 407 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.923 109.2 44.9 -58.1 -49.0 23.4 24.6 60.5 406 408 A K H X S+ 0 0 72 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.871 114.3 49.0 -65.9 -36.8 23.8 24.5 56.7 407 409 A A H X S+ 0 0 23 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.890 110.0 53.1 -67.4 -39.6 21.9 21.2 56.5 408 410 A Y H X S+ 0 0 2 -4,-2.7 4,-1.9 2,-0.2 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0 0 21 -2,-0.3 4,-1.8 -112,-0.2 3,-0.2 -0.562 41.9 -94.8-107.3 172.8 8.4 24.7 65.4 419 421 A T H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.812 124.8 55.1 -54.6 -32.8 11.0 24.0 68.1 420 422 A D H > S+ 0 0 78 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.885 101.9 53.8 -73.6 -38.3 10.2 20.3 67.7 421 423 A D H > S+ 0 0 48 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.927 113.7 45.7 -58.2 -42.0 10.9 20.3 63.9 422 424 A W H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.963 115.3 43.8 -64.6 -52.9 14.3 21.7 64.9 423 425 A K H X S+ 0 0 46 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.885 112.6 52.7 -65.0 -38.5 15.0 19.4 67.7 424 426 A D H X S+ 0 0 78 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.863 111.2 47.3 -65.3 -34.9 13.9 16.3 65.8 425 427 A F H X S+ 0 0 21 -4,-1.7 4,-3.1 -5,-0.3 5,-0.2 0.861 106.3 57.2 -74.0 -34.1 16.2 17.3 62.9 426 428 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.897 109.6 46.4 -59.4 -40.6 19.1 17.9 65.3 427 429 A Y H < S+ 0 0 47 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.894 112.8 49.2 -69.9 -41.3 18.7 14.3 66.5 428 430 A S H >< S+ 0 0 74 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.933 113.6 45.7 -59.8 -49.2 18.4 13.0 62.9 429 431 A Y H 3< S+ 0 0 89 -4,-3.1 3,-0.3 1,-0.3 -2,-0.2 0.901 120.7 38.8 -63.5 -43.0 21.5 14.8 61.8 430 432 A F T >< S+ 0 0 3 -4,-2.2 3,-2.0 -5,-0.2 -1,-0.3 -0.258 72.2 136.8-101.0 44.1 23.5 13.8 64.8 431 433 A K G X S+ 0 0 159 -3,-1.2 3,-0.7 1,-0.3 -1,-0.2 0.751 71.3 59.4 -64.0 -20.5 22.1 10.2 65.0 432 434 A D G 3 S+ 0 0 120 -3,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.598 109.9 41.6 -82.5 -12.3 25.7 9.1 65.6 433 435 A K G X> S+ 0 0 56 -3,-2.0 4,-2.2 -6,-0.2 3,-0.6 -0.084 71.0 127.1-122.8 35.7 25.8 11.2 68.8 434 436 A V H <> S+ 0 0 49 -3,-0.7 4,-1.5 1,-0.3 -1,-0.1 0.797 72.7 58.0 -62.8 -29.6 22.4 10.6 70.3 435 437 A D H 34 S+ 0 0 124 2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.820 107.2 47.6 -72.2 -30.6 23.9 9.6 73.6 436 438 A V H X4 S+ 0 0 35 -3,-0.6 3,-2.0 1,-0.2 4,-0.4 0.923 110.0 52.7 -69.8 -45.8 25.6 13.0 73.8 437 439 A L H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.3 -2,-0.2 0.789 101.8 60.6 -61.4 -28.1 22.3 14.7 72.9 438 440 A N T 3< S+ 0 0 99 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.492 91.1 70.1 -80.0 -1.7 20.6 12.9 75.7 439 441 A Q T < S+ 0 0 122 -3,-2.0 2,-0.3 -5,-0.1 -1,-0.2 0.648 80.1 94.5 -82.5 -17.7 22.9 14.5 78.2 440 442 A V S < S- 0 0 8 -3,-1.0 2,-1.9 -4,-0.4 3,-0.2 -0.595 80.5-127.5 -84.7 136.3 21.3 17.9 77.6 441 443 A D > + 0 0 86 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.575 35.5 174.5 -78.3 81.4 18.5 19.0 80.0 442 444 A W H > S+ 0 0 29 -2,-1.9 4,-3.1 1,-0.2 5,-0.4 0.875 72.5 55.7 -60.8 -40.6 16.1 19.8 77.2 443 445 A N H >>S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 5,-0.7 0.899 112.6 41.6 -61.3 -43.4 13.2 20.6 79.6 444 446 A A H >5S+ 0 0 13 3,-0.2 4,-1.5 -3,-0.2 -2,-0.2 0.960 117.7 46.3 -68.9 -51.1 15.2 23.2 81.4 445 447 A W H <5S+ 0 0 1 -4,-2.6 -82,-0.4 1,-0.2 -2,-0.2 0.886 125.2 30.8 -58.6 -42.7 16.7 24.7 78.3 446 448 A L H <5S+ 0 0 2 -4,-3.1 -82,-2.2 -5,-0.2 -1,-0.2 0.826 136.2 15.7 -86.9 -35.4 13.4 24.8 76.4 447 449 A Y H <5S+ 0 0 114 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.556 95.6 94.2-125.8 -12.9 10.8 25.3 79.0 448 450 A S << - 0 0 40 -4,-1.5 -85,-0.4 -5,-0.7 -84,-0.1 -0.633 67.1-124.7 -87.9 145.4 12.2 26.5 82.4 449 451 A P + 0 0 43 0, 0.0 -87,-0.2 0, 0.0 -93,-0.1 -0.339 67.6 30.8 -75.5 164.8 12.5 30.2 83.3 450 452 A G S S- 0 0 3 -92,-0.4 -93,-0.1 -95,-0.3 -94,-0.0 -0.261 104.7 -11.1 91.9-173.1 15.7 31.9 84.3 451 453 A L S S- 0 0 77 1,-0.1 4,-0.1 -103,-0.1 -68,-0.0 -0.338 86.0 -90.1 -59.7 146.4 19.3 31.4 83.4 452 454 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.112 34.6-110.3 -55.9 155.0 20.1 28.2 81.4 453 455 A P S S+ 0 0 65 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.716 101.3 28.2 -63.4 -21.5 20.9 25.0 83.4 454 456 A I S S- 0 0 76 -13,-0.1 -64,-0.1 -9,-0.0 0, 0.0 -1.000 71.8-137.6-145.5 143.5 24.5 25.2 82.1 455 457 A K - 0 0 95 -2,-0.3 3,-0.1 1,-0.1 -68,-0.0 -0.868 25.8-127.6-101.5 127.7 26.9 27.9 81.0 456 458 A P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 -66,-0.1 0.013 32.5 -95.3 -57.9 172.1 29.1 27.3 77.9 457 459 A N - 0 0 121 -68,-0.1 2,-0.4 -67,-0.1 -64,-0.0 -0.819 41.1-163.8 -95.9 135.2 32.9 27.7 78.0 458 460 A Y - 0 0 20 -2,-0.4 2,-0.2 -3,-0.1 -120,-0.0 -0.970 22.5-123.6-123.4 131.5 34.2 31.1 76.8 459 461 A D - 0 0 63 -2,-0.4 -118,-0.2 -126,-0.1 3,-0.1 -0.509 23.1-160.0 -60.1 135.6 37.7 32.2 75.8 460 462 A M >> + 0 0 76 -2,-0.2 4,-2.3 1,-0.1 3,-0.9 0.449 54.7 111.6-100.9 -3.9 38.6 35.1 78.1 461 463 A T T 34 S+ 0 0 64 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.850 88.4 29.2 -41.8 -62.0 41.4 36.8 76.2 462 464 A L T 34 S+ 0 0 56 -128,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.664 120.0 56.9 -77.1 -16.7 39.6 40.0 75.1 463 465 A T T X> S+ 0 0 3 -3,-0.9 4,-2.1 1,-0.2 3,-0.8 0.775 86.1 76.6 -85.3 -28.6 37.4 40.0 78.2 464 466 A N H 3X S+ 0 0 92 -4,-2.3 4,-2.4 -3,-0.3 5,-0.2 0.852 92.7 51.4 -53.9 -41.1 40.0 40.0 80.9 465 467 A A H 3> S+ 0 0 44 -4,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.831 108.9 52.9 -70.8 -28.6 41.0 43.7 80.6 466 468 A C H <> S+ 0 0 0 -3,-0.8 4,-2.4 -4,-0.4 5,-0.2 0.927 110.3 46.8 -68.5 -43.7 37.3 44.6 80.9 467 469 A I H X S+ 0 0 65 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.901 109.7 53.7 -64.2 -43.4 36.9 42.7 84.1 468 470 A A H X S+ 0 0 56 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.938 114.6 40.1 -57.8 -48.4 40.1 44.1 85.6 469 471 A L H X S+ 0 0 8 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.889 114.9 50.3 -73.5 -39.9 39.0 47.7 85.0 470 472 A S H X S+ 0 0 3 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.948 112.2 48.8 -63.2 -45.6 35.3 47.3 86.0 471 473 A Q H X S+ 0 0 80 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.863 107.8 54.5 -62.8 -35.7 36.3 45.5 89.2 472 474 A R H X S+ 0 0 104 -4,-1.7 4,-0.5 -5,-0.3 -1,-0.2 0.936 114.0 41.5 -63.3 -43.0 38.8 48.3 90.0 473 475 A W H >< S+ 0 0 0 -4,-2.1 3,-0.7 2,-0.2 -2,-0.2 0.916 113.4 52.3 -69.2 -43.7 36.0 50.9 89.7 474 476 A I H 3< S+ 0 0 34 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.886 121.1 32.7 -61.1 -39.2 33.4 48.8 91.4 475 477 A T H 3< S+ 0 0 89 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.376 89.9 134.5 -99.1 3.7 35.7 48.2 94.5 476 478 A A << - 0 0 11 -3,-0.7 2,-0.2 -4,-0.5 -3,-0.1 -0.215 33.6-167.7 -55.9 139.8 37.5 51.6 94.3 477 479 A K >> - 0 0 153 37,-0.0 3,-2.4 1,-0.0 4,-0.8 -0.676 43.9 -84.2-113.8 178.3 37.9 53.6 97.5 478 480 A E H >> S+ 0 0 131 1,-0.3 3,-0.9 -2,-0.2 4,-0.5 0.867 126.5 57.5 -53.4 -40.9 39.0 57.2 98.0 479 481 A D H 34 S+ 0 0 121 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.464 104.2 54.7 -74.8 4.2 42.7 56.3 97.8 480 482 A D H X> S+ 0 0 63 -3,-2.4 3,-1.2 2,-0.1 4,-0.8 0.674 86.2 79.9 -99.9 -23.7 42.2 54.7 94.3 481 483 A L H X< S+ 0 0 24 -3,-0.9 3,-0.7 -4,-0.8 -2,-0.1 0.845 88.5 53.5 -58.0 -40.8 40.6 57.7 92.6 482 484 A N T 3< S+ 0 0 111 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.748 102.7 59.1 -67.9 -24.2 43.8 59.6 91.8 483 485 A S T <4 S+ 0 0 80 -3,-1.2 -1,-0.2 -4,-0.1 -2,-0.2 0.712 80.8 98.6 -81.7 -21.7 45.4 56.6 90.1 484 486 A F << + 0 0 3 -4,-0.8 2,-0.3 -3,-0.7 38,-0.0 -0.373 52.7 162.6 -64.3 150.1 42.7 56.2 87.4 485 487 A N > - 0 0 80 1,-0.0 3,-2.3 -2,-0.0 4,-0.3 -0.978 55.3 -97.3-168.6 157.5 43.8 57.8 84.2 486 488 A A G > S+ 0 0 57 1,-0.3 3,-1.7 -2,-0.3 4,-0.2 0.724 115.1 72.5 -61.9 -21.8 43.0 57.9 80.4 487 489 A T G > S+ 0 0 85 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.746 79.3 75.7 -64.4 -23.3 45.9 55.5 79.9 488 490 A D G < S+ 0 0 33 -3,-2.3 -1,-0.3 1,-0.3 3,-0.2 0.792 100.1 43.5 -51.5 -28.5 43.5 52.9 81.5 489 491 A L G X S+ 0 0 29 -3,-1.7 3,-2.0 -4,-0.3 -1,-0.3 0.495 83.0 108.4 -97.0 -5.0 41.8 53.0 78.1 490 492 A K T < S+ 0 0 149 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.792 88.5 27.1 -52.2 -44.8 44.9 52.9 76.0 491 493 A D T 3 S+ 0 0 133 -4,-0.4 2,-0.4 -3,-0.2 -1,-0.3 0.299 95.7 111.7-103.4 11.0 44.6 49.4 74.6 492 494 A L < - 0 0 29 -3,-2.0 2,-0.1 -27,-0.1 -3,-0.0 -0.703 57.8-140.8 -89.7 132.5 40.8 48.9 74.8 493 495 A S > - 0 0 48 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.302 32.6-100.2 -78.1 170.8 38.8 48.7 71.6 494 496 A S H > S+ 0 0 33 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.889 126.7 52.8 -56.9 -40.9 35.4 50.4 71.2 495 497 A H H > S+ 0 0 61 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.838 109.1 48.3 -64.7 -36.0 33.8 47.0 71.9 496 498 A Q H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.825 106.9 55.5 -75.2 -31.6 35.8 46.5 75.1 497 499 A L H X S+ 0 0 19 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.938 109.4 48.6 -63.1 -46.2 34.9 50.0 76.4 498 500 A N H X S+ 0 0 33 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.915 111.6 47.9 -57.6 -46.5 31.3 49.1 75.9 499 501 A E H X S+ 0 0 28 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.889 108.0 56.2 -69.3 -36.9 31.7 45.8 77.8 500 502 A F H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.935 111.5 43.1 -53.4 -49.2 33.6 47.6 80.5 501 503 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.879 111.0 54.9 -67.2 -40.5 30.5 49.9 81.0 502 504 A A H X S+ 0 0 6 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.938 111.4 45.1 -56.7 -47.3 28.1 46.9 80.7 503 505 A Q H X S+ 0 0 26 -4,-2.7 4,-0.5 2,-0.2 3,-0.3 0.906 114.2 47.7 -64.6 -41.9 30.0 45.2 83.6 504 506 A T H >< S+ 0 0 0 -4,-2.2 3,-1.7 -5,-0.2 -2,-0.2 0.929 108.0 57.6 -65.6 -39.3 30.2 48.3 85.7 505 507 A L H >< S+ 0 0 19 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.793 94.1 64.9 -63.6 -29.6 26.5 48.9 85.0 506 508 A Q H 3< S+ 0 0 71 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.737 106.0 45.5 -64.9 -21.1 25.5 45.5 86.5 507 509 A R T << S+ 0 0 135 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.167 97.5 171.4-108.6 19.0 26.8 46.8 89.9 508 510 A A < + 0 0 24 -3,-1.5 2,-0.1 2,-0.1 35,-0.1 -0.362 42.6 64.4 -69.3 154.5 25.1 50.2 89.8 509 511 A P - 0 0 89 0, 0.0 34,-0.1 0, 0.0 31,-0.1 0.487 63.8-176.8 -75.9 148.7 24.7 52.5 91.6 510 512 A L - 0 0 10 29,-0.3 5,-0.1 -2,-0.1 -36,-0.1 -0.760 45.7 -80.1 -95.4 159.0 28.3 53.5 92.0 511 513 A P >> - 0 0 74 0, 0.0 4,-1.6 0, 0.0 3,-0.6 -0.279 40.8-122.5 -56.5 144.3 29.1 56.4 94.4 512 514 A L H 3> S+ 0 0 66 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.919 111.5 54.1 -57.9 -47.4 28.4 59.8 92.7 513 515 A G H 3> S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.828 106.3 55.1 -55.1 -31.8 32.0 61.0 93.3 514 516 A H H <> S+ 0 0 10 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.902 108.0 46.5 -71.2 -39.4 33.2 57.9 91.6 515 517 A I H X S+ 0 0 0 -4,-1.6 4,-2.0 -3,-0.3 -2,-0.2 0.859 110.4 52.6 -73.5 -34.7 31.2 58.5 88.4 516 518 A K H X S+ 0 0 93 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.931 109.1 51.1 -61.2 -43.6 32.2 62.1 88.3 517 519 A R H X S+ 0 0 50 -4,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.890 106.1 55.9 -59.5 -38.1 35.9 60.9 88.5 518 520 A M H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.5 0.924 109.2 44.6 -63.0 -45.2 35.2 58.5 85.7 519 521 A Q H X S+ 0 0 35 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.891 111.5 56.9 -61.6 -38.8 34.0 61.3 83.4 520 522 A E H < S+ 0 0 138 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.873 117.9 29.8 -61.8 -40.5 37.0 63.3 84.6 521 523 A V H < S+ 0 0 19 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.774 133.1 28.6 -94.1 -26.3 39.5 60.7 83.5 522 524 A Y H < S- 0 0 16 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.629 83.1-142.8-110.3 -19.2 37.8 59.0 80.5 523 525 A N >< + 0 0 86 -4,-1.9 3,-1.7 -5,-0.5 4,-0.2 0.883 33.7 165.9 55.2 43.5 35.6 61.8 79.0 524 526 A F G > + 0 0 1 1,-0.3 3,-1.5 -6,-0.3 -1,-0.1 0.734 64.5 74.5 -58.8 -24.2 32.8 59.3 78.2 525 527 A N G 3 S+ 0 0 46 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.803 91.6 57.1 -57.2 -27.6 30.5 62.3 77.7 526 528 A A G < S+ 0 0 62 -3,-1.7 2,-0.4 2,-0.0 -1,-0.3 0.494 83.3 98.9 -88.6 -4.5 32.3 63.0 74.4 527 529 A I < - 0 0 44 -3,-1.5 -4,-0.0 -4,-0.2 -3,-0.0 -0.704 46.4-175.1 -87.2 135.0 31.7 59.6 72.8 528 530 A N + 0 0 131 -2,-0.4 2,-0.2 -246,-0.1 -1,-0.1 0.453 42.5 123.7-110.9 -3.7 28.8 59.3 70.3 529 531 A N > - 0 0 15 1,-0.2 4,-2.7 -247,-0.1 5,-0.3 -0.448 61.2-141.3 -51.5 119.4 28.9 55.6 69.7 530 532 A S H > S+ 0 0 9 -251,-0.6 4,-2.5 -2,-0.2 5,-0.2 0.858 94.1 51.6 -65.9 -38.2 25.3 54.9 70.7 531 533 A E H > S+ 0 0 16 -252,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.921 115.9 42.6 -65.2 -41.6 25.9 51.5 72.5 532 534 A I H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.905 115.4 47.0 -71.1 -44.1 28.6 53.1 74.6 533 535 A R H X S+ 0 0 36 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.895 108.2 58.9 -66.6 -37.2 26.7 56.4 75.3 534 536 A F H X S+ 0 0 10 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 0.943 111.6 38.0 -52.1 -54.0 23.6 54.4 76.2 535 537 A R H X S+ 0 0 11 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.817 114.0 55.6 -73.8 -32.7 25.3 52.4 79.0 536 538 A W H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.943 110.3 44.8 -62.3 -50.1 27.3 55.4 80.2 537 539 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.881 110.4 54.7 -63.6 -37.9 24.2 57.6 80.7 538 540 A R H X S+ 0 0 57 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.904 110.3 47.9 -59.2 -39.2 22.4 54.7 82.3 539 541 A L H X S+ 0 0 0 -4,-1.6 4,-1.2 2,-0.2 -29,-0.3 0.888 111.8 48.7 -70.9 -41.5 25.2 54.4 84.8 540 542 A C H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 -2,-0.2 0.924 115.3 44.0 -63.0 -45.2 25.3 58.1 85.5 541 543 A I H ><5S+ 0 0 2 -4,-2.7 3,-2.1 1,-0.2 -2,-0.2 0.935 112.8 49.4 -70.5 -45.1 21.6 58.3 86.1 542 544 A Q H 3<5S+ 0 0 53 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.756 109.4 55.4 -65.0 -22.3 21.3 55.2 88.2 543 545 A S T 3<5S- 0 0 4 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.303 120.5-112.6 -91.6 8.1 24.2 56.7 90.2 544 546 A K T < 5 + 0 0 102 -3,-2.1 2,-1.0 1,-0.2 -3,-0.2 0.818 57.4 159.8 71.5 34.2 22.2 59.9 90.8 545 547 A W > < - 0 0 26 -5,-2.5 3,-1.6 1,-0.2 4,-0.4 -0.784 22.9-166.6 -90.3 105.1 24.2 62.3 88.7 546 548 A E G > S+ 0 0 95 -2,-1.0 3,-1.6 1,-0.3 -1,-0.2 0.817 82.8 65.4 -63.4 -30.6 21.8 65.2 88.0 547 549 A D G 3 S+ 0 0 107 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.695 96.2 58.8 -66.2 -16.0 24.1 66.7 85.3 548 550 A A G <> S+ 0 0 3 -3,-1.6 4,-2.8 1,-0.2 -1,-0.3 0.610 82.9 88.0 -86.5 -12.5 23.5 63.5 83.2 549 551 A I H <> S+ 0 0 14 -3,-1.6 4,-2.6 -4,-0.4 5,-0.2 0.909 90.3 41.1 -55.4 -51.2 19.7 64.1 83.3 550 552 A P H > S+ 0 0 79 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.882 113.7 54.9 -67.7 -34.0 19.5 66.4 80.2 551 553 A L H > S+ 0 0 46 -4,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.946 113.1 42.1 -58.4 -47.9 22.0 64.2 78.3 552 554 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.880 113.9 51.2 -69.7 -40.2 19.8 61.1 79.0 553 555 A L H X S+ 0 0 13 -4,-2.6 4,-1.0 -5,-0.3 -1,-0.2 0.885 110.1 51.9 -60.5 -38.9 16.7 63.0 78.2 554 556 A K H >X S+ 0 0 107 -4,-2.5 4,-2.9 -5,-0.2 3,-0.5 0.944 112.4 42.5 -66.2 -49.0 18.3 64.1 74.9 555 557 A M H 3X S+ 0 0 18 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.900 109.9 57.7 -64.7 -39.8 19.3 60.7 73.8 556 558 A A H 3< S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.774 120.9 27.7 -62.6 -25.2 16.0 59.1 74.8 557 559 A T H << S+ 0 0 42 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.724 108.8 64.9-110.2 -29.7 14.1 61.5 72.5 558 560 A E H < S+ 0 0 113 -4,-2.9 2,-0.3 -5,-0.2 -3,-0.2 0.631 117.3 25.7 -74.3 -11.7 16.4 62.5 69.7 559 561 A Q < - 0 0 16 -4,-0.9 -297,-0.3 -5,-0.2 -1,-0.0 -0.962 65.4-153.2-142.4 163.2 16.3 58.8 68.6 560 562 A G + 0 0 10 -299,-3.3 2,-0.5 -2,-0.3 -298,-0.2 0.131 39.4 139.8-129.2 21.2 13.7 56.1 69.1 561 563 A R >> - 0 0 13 -300,-0.4 4,-2.9 1,-0.2 3,-1.8 -0.577 48.9-143.8 -63.1 116.6 15.5 52.8 69.0 562 564 A M H 3> S+ 0 0 12 -298,-2.2 4,-1.9 -2,-0.5 -1,-0.2 0.796 95.1 67.9 -62.0 -31.5 13.6 51.1 71.8 563 565 A K H 34 S+ 0 0 89 -299,-0.5 -1,-0.3 1,-0.2 -298,-0.1 0.832 117.8 24.5 -51.9 -36.5 16.7 49.3 73.0 564 566 A F H <> S+ 0 0 0 -3,-1.8 4,-1.5 2,-0.1 -2,-0.2 0.833 122.0 53.4 -95.8 -41.9 18.0 52.7 74.1 565 567 A T H X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.2 5,-0.2 0.855 105.9 49.1 -70.4 -39.1 14.8 54.7 74.5 566 568 A R H X S+ 0 0 46 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.943 112.1 45.8 -70.1 -47.8 12.9 52.5 76.9 567 569 A P H > S+ 0 0 19 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.850 113.0 51.9 -64.1 -32.6 15.6 51.9 79.5 568 570 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.950 111.2 45.2 -69.5 -46.7 16.5 55.6 79.5 569 571 A F H X S+ 0 0 2 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.875 114.9 51.1 -59.7 -35.5 13.0 56.7 80.2 570 572 A K H X S+ 0 0 80 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.909 110.9 45.7 -72.4 -40.4 12.8 54.0 82.8 571 573 A D H X S+ 0 0 18 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.900 113.0 51.1 -66.6 -40.0 16.0 55.1 84.6 572 574 A L H < S+ 0 0 0 -4,-2.5 6,-0.3 1,-0.2 10,-0.2 0.841 109.6 50.3 -67.7 -33.3 14.9 58.8 84.5 573 575 A A H < S+ 0 0 20 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.845 109.5 51.6 -70.9 -33.8 11.5 57.9 86.0 574 576 A A H < S+ 0 0 75 -4,-1.5 2,-0.7 -5,-0.1 -2,-0.2 0.744 93.2 81.9 -76.1 -24.0 13.2 55.9 88.8 575 577 A F S >X S- 0 0 6 -4,-1.3 3,-1.7 1,-0.2 4,-1.4 -0.749 75.9-146.9 -88.2 114.7 15.6 58.8 89.7 576 578 A D T 34 S+ 0 0 121 -2,-0.7 4,-0.5 1,-0.3 3,-0.5 0.855 94.1 57.0 -56.1 -41.4 13.6 61.2 91.9 577 579 A K T 34 S+ 0 0 125 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.779 119.4 30.6 -58.7 -29.5 15.3 64.3 90.6 578 580 A S T <> S+ 0 0 0 -3,-1.7 4,-2.2 -6,-0.3 -1,-0.2 0.487 89.7 100.6-108.3 -4.2 14.3 63.6 87.0 579 581 A H H X S+ 0 0 76 -4,-1.4 4,-2.1 -3,-0.5 5,-0.2 0.903 85.2 43.1 -52.1 -52.3 11.0 61.7 87.4 580 582 A D H > S+ 0 0 116 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.904 115.1 48.2 -63.9 -43.8 8.6 64.6 86.7 581 583 A Q H > S+ 0 0 85 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.804 109.5 55.3 -67.7 -28.2 10.6 65.9 83.7 582 584 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 -10,-0.2 -2,-0.2 0.955 110.1 44.4 -66.6 -49.0 10.8 62.4 82.3 583 585 A V H X S+ 0 0 26 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.851 115.4 47.8 -65.1 -36.7 7.0 61.9 82.4 584 586 A R H X S+ 0 0 112 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.842 108.9 53.8 -73.6 -34.4 6.4 65.4 80.9 585 587 A T H X S+ 0 0 16 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.919 110.7 47.3 -65.8 -42.4 8.9 64.8 78.1 586 588 A Y H >X S+ 0 0 9 -4,-2.1 4,-2.5 2,-0.2 3,-1.5 0.976 111.6 48.5 -60.8 -56.9 7.2 61.6 77.1 587 589 A Q H 3< S+ 0 0 88 -4,-2.1 4,-0.3 1,-0.3 -1,-0.2 0.830 112.4 50.2 -54.7 -34.7 3.7 63.1 77.1 588 590 A E H 3< S+ 0 0 130 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.691 120.5 35.9 -76.0 -19.5 5.0 66.0 75.1 589 591 A H H X< S+ 0 0 65 -3,-1.5 3,-1.4 -4,-1.0 4,-0.5 0.615 88.0 90.7-106.0 -18.5 6.6 63.6 72.6 590 592 A K T 3< S+ 0 0 66 -4,-2.5 3,-0.5 1,-0.3 -3,-0.1 0.738 82.6 62.1 -59.8 -20.8 4.2 60.7 72.4 591 593 A A T 3 S+ 0 0 95 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.839 111.6 34.7 -73.5 -35.4 2.4 62.3 69.5 592 594 A S S < S+ 0 0 54 -3,-1.4 -1,-0.2 -4,-0.1 2,-0.2 0.194 100.2 103.3-105.3 15.3 5.4 62.3 67.2 593 595 A M S S- 0 0 32 -3,-0.5 -36,-0.0 -4,-0.5 -331,-0.0 -0.571 88.3 -87.1 -87.5 158.3 6.8 59.0 68.4 594 596 A H > - 0 0 3 -2,-0.2 4,-3.0 -332,-0.2 5,-0.2 -0.377 44.7-119.0 -57.2 144.2 6.5 55.7 66.6 595 597 A P H > S+ 0 0 38 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.866 109.2 43.3 -62.5 -40.6 3.2 54.1 67.6 596 598 A V H > S+ 0 0 8 -485,-0.3 4,-2.5 2,-0.2 5,-0.2 0.935 116.9 47.8 -71.5 -44.2 4.5 51.0 69.2 597 599 A T H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.913 109.5 53.2 -58.8 -47.4 7.3 52.8 71.0 598 600 A A H X S+ 0 0 12 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.935 112.3 46.0 -53.7 -46.0 4.9 55.5 72.2 599 601 A M H X S+ 0 0 66 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.907 112.6 48.4 -66.6 -42.8 2.7 52.7 73.7 600 602 A L H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.919 110.9 49.2 -67.2 -44.2 5.5 50.8 75.3 601 603 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.861 109.1 55.6 -62.4 -35.0 7.2 53.8 77.0 602 604 A G H X>S+ 0 0 4 -4,-1.6 5,-2.2 -5,-0.3 4,-1.1 0.928 109.7 43.9 -63.0 -46.1 3.7 54.7 78.3 603 605 A K H <5S+ 0 0 132 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.877 112.6 54.2 -63.8 -38.7 3.3 51.3 80.0 604 606 A D H <5S+ 0 0 33 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.933 117.4 35.3 -58.7 -46.5 6.9 51.6 81.2 605 607 A L H <5S- 0 0 18 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.550 106.7-127.9 -86.7 -8.9 6.1 55.0 82.8 606 608 A K T <5 + 0 0 189 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.887 50.9 161.3 60.3 40.5 2.6 54.0 83.8 607 609 A V < 0 0 17 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.712 360.0 360.0 -90.9 145.5 1.1 57.1 82.1 608 610 A D 0 0 177 -2,-0.3 -1,-0.1 -5,-0.0 -5,-0.1 -0.422 360.0 360.0 71.3 360.0 -2.5 57.2 81.1