# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3krj # POINT_FILE ../DUDE/pocket_res_ptf_tian/3krj_KRJ_A_923.ptf # PROPERTIES ATOM_TYPE_IS_C, ATOM_TYPE_IS_CT, ATOM_TYPE_IS_CA, # PROPERTIES ATOM_TYPE_IS_N, ATOM_TYPE_IS_N2, ATOM_TYPE_IS_N3, # PROPERTIES ATOM_TYPE_IS_NA, ATOM_TYPE_IS_O, ATOM_TYPE_IS_O2, # PROPERTIES ATOM_TYPE_IS_OH, ATOM_TYPE_IS_S, ATOM_TYPE_IS_SH, # PROPERTIES ATOM_TYPE_IS_OTHER, PARTIAL_CHARGE, ELEMENT_IS_ANY, # PROPERTIES ELEMENT_IS_C, ELEMENT_IS_N, ELEMENT_IS_O, ELEMENT_IS_S, # PROPERTIES ELEMENT_IS_OTHER, HYDROXYL, AMIDE, AMINE, CARBONYL, # PROPERTIES RING_SYSTEM, PEPTIDE, VDW_VOLUME, CHARGE, NEG_CHARGE, # PROPERTIES POS_CHARGE, CHARGE_WITH_HIS, HYDROPHOBICITY, MOBILITY, # PROPERTIES SOLVENT_ACCESSIBILITY, RESIDUE_NAME_IS_ALA, # PROPERTIES RESIDUE_NAME_IS_ARG, RESIDUE_NAME_IS_ASN, RESIDUE_NAME_IS_ASP, # PROPERTIES RESIDUE_NAME_IS_CYS, RESIDUE_NAME_IS_GLN, RESIDUE_NAME_IS_GLU, # PROPERTIES RESIDUE_NAME_IS_GLY, RESIDUE_NAME_IS_HIS, RESIDUE_NAME_IS_ILE, # PROPERTIES RESIDUE_NAME_IS_LEU, RESIDUE_NAME_IS_LYS, RESIDUE_NAME_IS_MET, # PROPERTIES RESIDUE_NAME_IS_PHE, RESIDUE_NAME_IS_PRO, RESIDUE_NAME_IS_SER, # PROPERTIES RESIDUE_NAME_IS_THR, RESIDUE_NAME_IS_TRP, RESIDUE_NAME_IS_TYR, # PROPERTIES RESIDUE_NAME_IS_VAL, RESIDUE_NAME_IS_HOH, # PROPERTIES RESIDUE_NAME_IS_OTHER, RESIDUE_CLASS1_IS_HYDROPHOBIC, # PROPERTIES RESIDUE_CLASS1_IS_CHARGED, RESIDUE_CLASS1_IS_POLAR, # PROPERTIES RESIDUE_CLASS1_IS_UNKNOWN, RESIDUE_CLASS2_IS_NONPOLAR, # PROPERTIES RESIDUE_CLASS2_IS_POLAR, RESIDUE_CLASS2_IS_BASIC, # PROPERTIES RESIDUE_CLASS2_IS_ACIDIC, RESIDUE_CLASS2_IS_UNKNOWN, # PROPERTIES SECONDARY_STRUCTURE1_IS_3HELIX, SECONDARY_STRUCTURE1_IS_4HELIX, # PROPERTIES SECONDARY_STRUCTURE1_IS_5HELIX, SECONDARY_STRUCTURE1_IS_BRIDGE, # PROPERTIES SECONDARY_STRUCTURE1_IS_STRAND, SECONDARY_STRUCTURE1_IS_TURN, # PROPERTIES SECONDARY_STRUCTURE1_IS_BEND, SECONDARY_STRUCTURE1_IS_COIL, # PROPERTIES SECONDARY_STRUCTURE1_IS_HET, SECONDARY_STRUCTURE1_IS_UNKNOWN, # PROPERTIES SECONDARY_STRUCTURE2_IS_HELIX, SECONDARY_STRUCTURE2_IS_BETA, # PROPERTIES SECONDARY_STRUCTURE2_IS_COIL, SECONDARY_STRUCTURE2_IS_HET, # PROPERTIES SECONDARY_STRUCTURE2_IS_UNKNOWN # SHELLS 6 # SHELL_WIDTH 1.25 # VERBOSITY 0 Env_3krj_0 0 0 1 0 0 0 0 0 0 0 0 0 0 0.8076 1 1 0 0 0 0 0 0 0 0 0 0 20.579 0.333 0 0.333 0.333 0 5 10 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 -2.2062 4 1 3 0 0 0 0 1 2 0 0 0 102.947 0.666 0 0.666 0.666 -3 19 40 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 2 0 0 0 0 0 0 0 1 0 0 0 -0.7014 3 2 0 1 0 0 1 0 0 0 0 0 84.177 0 0 0 0 1 9 19 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 2 0 0 0 1 2 0 0 0 2 3 9 0 0 0 0 0 2 0 0 0 0 -1.8981 16 14 0 2 0 0 0 0 0 1 10 0 396.767 0.999 0.999 0 0.999 9 54 107 0 1 1 3 0 0 0 0 0 0 0 0 0 0 1 0 0 6 4 0 0 0 1 4 11 0 7 5 1 3 0 7 0 0 0 0 1 4 4 0 0 7 5 4 0 0 7 7 4 6 0 0 1 3 2 0 0 0 0 -3.3798 30 18 7 5 0 0 0 6 1 4 5 16 726.219 0.666 0.666 0 0.666 -6 35 298 4 3 8 4 0 0 1 0 0 0 0 0 0 0 2 0 0 4 2 2 0 0 8 8 14 0 12 10 3 5 0 11 1 0 0 0 5 5 8 0 0 12 10 8 0 0 4 11 0 5 0 0 0 5 2 0 0 0 0 -4.3363 27 15 5 7 0 0 0 5 0 6 0 16 633.217 1.332 1.332 0 1.332 -8 25 292 3 1 5 4 0 0 2 0 0 0 1 0 0 0 4 0 0 2 3 2 0 0 10 7 10 0 12 8 1 6 0 8 3 0 0 0 2 4 10 0 0 11 6 10 0 0 # 10.48 34.35 -4.95 # ARG Env_3krj_1 0 0 0 0 0 0 0 0 0 0 0 1 0 -0.3118 1 0 0 0 1 0 0.5 0 0 0 0 0 26.521 0 0 0 0 -1 2 47 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.123 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 0 1 47 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 1 2 4 0 0 0 0 0 0 0 0 0 -1.9719 8 4 4 0 0 0 0 4 0 0 2 5 186.902 0 0 0 0 -2 10 705 0 0 2 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 8 0 0 8 0 0 0 2 0 0 0 0 6 0 0 0 0 2 6 0 0 0 4 5 3 0 0 0 0 4 0 2 0 0 0 -1.9715 18 12 0 6 0 0 2 0 0 4 4 8 429.639 0 0 0 0 -1 29 1368 0 0 4 0 2 0 0 0 0 0 1 0 0 0 0 0 4 0 7 0 0 0 1 0 17 0 1 17 0 0 0 4 0 0 0 5 8 0 1 0 0 4 13 1 0 0 3 3 2 3 0 0 0 2 0 0 0 0 0 -0.752 13 8 3 2 0 0 0 3 0 2 2 9 319.501 0 0 0 0 -3 9 609 0 0 1 0 3 0 0 2 0 0 1 0 0 0 0 0 2 0 4 0 0 0 1 0 10 2 1 12 0 0 0 2 0 0 0 3 1 0 7 0 0 2 4 7 0 0 2 5 2 2 0 0 2 2 0 1 0 0 0 -2.7544 16 9 4 3 0 0 1 3 1 2 5 8 371.874 0 0 0 1 -4 27 970 0 0 1 0 1 0 0 1 5 0 2 0 0 0 0 0 1 0 5 0 0 0 2 0 13 1 2 9 5 0 0 7 0 0 0 3 1 0 5 0 0 7 4 5 0 0 # 12.33 32.74 17.09 # CYS Env_3krj_2 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0252 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 13 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.2047 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 165 1 0 0 0 0 0 0 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 3 2 3 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 -1.1358 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 101 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 1 0 0 0 3 8 0 2 0 0 0 3 0 0 0 0 0 -1.7658 16 11 2 3 0 0 0 2 0 3 0 11 431.366 0 0 0 0 0 7 779 7 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 3 0 0 13 0 3 0 13 3 0 0 0 3 0 0 0 13 0 0 0 0 0 3 13 0 0 0 3 8 0 3 0 0 0 1 0 0 0 0 0 0.5592 15 11 3 1 0 0 0 3 0 1 0 11 422.515 0 0 0 0 -1 5 684 1 2 0 0 0 0 0 1 0 0 3 3 0 0 0 0 2 0 0 3 0 0 7 5 2 1 7 3 5 0 0 3 0 0 0 9 0 2 1 0 0 3 11 1 0 0 2 10 0 4 1 0 0 4 0 1 0 0 0 -5.4154 22 12 5 5 0 0 1 4.5 0.5 4 0 12 546.23 0.333 0 0.333 0.333 -3 27 1171 0 6 0 1 0 0 0 3 0 0 2 4 0 1 0 0 2 0 0 3 0 0 6 11 2 3 6 5 10 1 0 0 0 0 0 13 0 6 3 0 0 0 19 3 0 0 # 0.77 28.72 4.98 # GLY Env_3krj_3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 -0.6869 6 6 0 0 0 0 0 0 0 0 6 0 153.184 0 0 0 0 6 21 180 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 6 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.4498 2 1 1 0 0 0 0 1 0 0 0 1 47.647 0 0 0 0 0 1 60 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 3 8 0 2 0 0 0 5 0 0 0 0 0 -2.8665 18 11 2 5 0 0 0 2 0 5 0 13 454.354 0 0 0 0 -3 13 233 0 1 4 4 0 0 0 4 0 0 3 0 0 1 0 0 0 0 0 1 0 0 5 5 4 4 5 8 1 4 0 5 0 0 0 3 0 0 10 0 0 5 3 10 0 0 5 7 0 4 0 0 0 3 0 0 0 0 0 -0.6534 19 12 4 3 0 0 0 4 0 3 0 13 480.219 0 0 0 0 -2 8 227 0 1 3 1 0 0 0 1 0 1 3 1 0 2 0 0 0 0 0 6 0 0 12 3 3 1 12 4 2 1 0 5 0 0 0 9 0 0 5 0 0 5 9 5 0 0 3 9 1 3 2 1 1 1 1 0 0 0 0 -2.5935 22 13 7 2 0 0 0 4 3 1.5 1 10 587.199 2.332 0.666 1.666 2.832 -3 37 413 1 4 1 4 0 0 0 1 1 4 1 2 0 0 0 0 0 0 0 3 0 0 9 10 2 1 9 2 7 4 0 4 0 0 2 8 0 3 5 0 0 4 13 5 0 0 # 11.3017 28.3767 3.82833 # PHE Env_3krj_4 0 0 0 0 0 1 0 0 0 0 0 0 0 -0.3853 1 0 1 0 0 0 0 0 1 0 0 0 33.51 1 0 1 1 1 5 169 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0142 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 -1 4 169 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0478 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 3 169 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0.0093 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 3 338 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.2399 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 169 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.0002 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 578 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 3 0 0 0 0 0 0 2 3 0 0 3 2 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 # -3.33 32.83 14.25 # LYS Env_3krj_5 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.7992 3 1 1 1 0 0 0 1 0 1 0 0 56.502 0 0 0 0 -2 8 255 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.204 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 85 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 -1.2028 3 1 1 1 0 0 0 1 0 0.5 0 2 61.784 0.333 0.333 0 0.333 -2 3 186 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 2 0 1 0 0 2 0 1 0 0 0 0 0 0 2 1 0 0 0 3 0 0 1 0 0 0 1 1 0 0 0 0 0.2088 6 3 1 2 0 0 0 1 0 1.5 0 4 127.367 0.666 0.666 0 0.666 -3 5 256 0 0 2 2 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 2 2 2 0 2 2 0 2 0 0 4 0 2 0 0 0 0 0 0 4 2 0 0 0 1 7 0 2 3 0 0 2 0 0 0 0 0 -4.2976 15 8 5 2 0 0 0 3.5 1.5 2 0 7 392.629 0.999 0 0.999 0.999 -3 28 546 0 4 0 5 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 6 9 0 0 6 0 4 5 0 0 8 0 5 0 0 2 0 0 0 8 7 0 0 0 3 10 2 3 1 0 0 1 0 0 0 0 0 0.4669 20 15 4 1 0 0 0 3 1 1 0 11 551.272 0.666 0 0.666 0.666 0 26 1324 0 9 0 0 0 0 0 2 0 0 6 0 0 3 0 0 0 0 0 0 0 0 9 9 0 2 9 2 9 0 0 0 15 0 0 0 2 1 2 0 0 15 3 2 0 0 # 6.26333 38.6667 5.27667 # ASN Env_3krj_6 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.7992 3 1 1 1 0 0 0 1 0 1 0 0 56.502 0 0 0 0 -2 8 3 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.204 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 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 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.4014 2 1 1 0 0 0 0 1 0 0 0 2 47.647 0 0 0 0 -1 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 6 3 2 1 1 0 0 4 3 1 0 0 0 -2.066 21 11 2 8 0 0 1 1 1 5.5 2 10 469.03 1.665 1.665 0 1.665 -7 33 217 0 4 2 9 0 0 0 2 1 0 0 0 0 2 0 0 0 0 1 0 0 0 2 13 4 2 2 5 5 9 0 6 0 0 0 0 0 1 14 0 0 6 1 14 0 0 4 12 5 7 2 0 2 3 1 0 0 0 0 -5.4627 36 21 11 4 0 0 0 8.5 2.5 3.5 6 21 884.183 0.999 0.333 0.666 1.999 -7 46 504 5 7 0 6 0 0 0 4 2 0 0 0 0 8 0 0 0 0 0 4 0 0 17 13 2 4 17 4 9 6 0 8 0 0 0 1 0 6 21 0 0 8 7 21 0 0 5 9 6 2 3 0 1 2 0 0 0 0 0 -2.1241 28 20 6 2 0 0 0 3 3 2 7 10 744.729 0.999 0 0.999 0.999 0 64 437 4 8 0 1 0 0 0 1 2 3 0 0 0 1 0 0 0 1 3 4 0 0 12 9 6 1 13 4 10 1 0 6 0 0 0 6 0 7 9 0 0 6 13 9 0 0 # 11.8433 30.14 -1.19333 # ASN Env_3krj_7 0 0 0 0 0 1 0 0 0 0 0 0 0 -0.3853 1 0 1 0 0 0 0 0 1 0 0 0 33.51 1 0 1 1 1 5 13 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.062 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 0 7 26 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 1 0 0 0 0 0 0 1 2 0 0 0 0 -1.4139 4 1 0 3 0 0 0 0 0 2 0 1 60.347 0.999 0.999 0 0.999 -3 11 92 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 4 0 0 3 0 0 0 0 0 1 0 0 3 0 1 0 0 1 5 0 0 0 0 0 0 0 1 0 0 0 0.2444 7 6 0 1 0 0 1 0 0 0 0 1 218.217 0 0 0 0 4 14 102 0 0 0 1 0 0 1 0 0 0 2 2 0 0 0 0 0 0 1 0 0 0 2 4 1 0 2 1 2 2 0 2 1 0 0 2 0 0 2 0 0 3 2 2 0 0 3 12 2 4 0 0 0 0 1 0 1 0 0 -3.2092 23 17 4 1 1 0 0 4 0 0.5 3 9 627.036 0.666 0.666 0 0.666 6 36 376 0 0 0 5 0 0 1 1 0 0 5 1 1 4 0 0 1 0 2 2 0 0 12 7 3 1 12 4 1 6 0 5 3 0 0 4 0 0 11 0 0 8 4 11 0 0 5 10 3 3 0 0 0 6 1 1 0 0 0 -3.1302 29 18 3 8 0 0 1 3 0 6.5 3 16 718.94 0.333 0.333 0 0.333 -1 30 503 1 0 0 1 0 0 2 4 0 0 3 4 3 4 0 0 2 0 1 4 0 0 15 7 3 4 15 7 4 3 0 5 6 0 0 11 0 0 7 0 0 11 11 7 0 0 # 8.8 21.76 1.73 # LYS Env_3krj_8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 # 0 0 0 # TYR Env_3krj_9 1 0 0 0 0 0 0 0 2 0 0 0 0 -0.8035 3 1 0 2 0 0 0 0 0 1 0 0 48.853 0.999 0.999 0 0.999 -2 8 48 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0303 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 16 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 2 1 0 3 1 0 0 1 0 0 0 0 0 -2.0079 8 3 4 1 0 0 0 3.5 0.5 1 0 5 176.225 0.333 0 0.333 0.333 -5 11 389 0 1 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 3 0 0 3 1 4 0 0 3 0 4 0 0 1 0 0 0 3 5 0 0 0 3 6 1 2 1 0 0 4 0 0 0 0 0 -2.0801 17 10 3 4 0 0 0 2.5 0.5 4 0 12 420.848 0.666 0 0.666 0.666 -5 16 527 1 4 3 0 0 0 0 1 0 0 7 0 0 0 0 0 0 0 0 1 0 0 9 4 3 1 9 4 4 0 0 3 10 0 0 1 0 2 1 0 0 13 3 1 0 0 4 6 0 2 1 0 0 3 0 0 0 0 0 -1.078 16 10 3 3 0 0 0 2 1 3 0 10 418.435 0 0 0 0 -1 14 369 1 4 1 0 0 0 0 2 0 0 6 0 0 1 0 0 0 0 0 1 0 0 9 4 1 2 9 3 4 0 0 4 7 0 0 2 0 1 2 0 0 11 3 2 0 0 1 13 2 4 0 0 0 2 0 0 0 0 0 -2.5357 22 16 4 2 0 0 0 4 0 2 2 12 601.718 0 0 0 0 3 22 564 2 2 4 0 0 0 0 1 0 0 6 0 0 4 0 0 0 0 1 2 0 0 14 2 5 1 14 6 2 0 0 6 5 0 0 6 1 1 3 0 0 11 8 3 0 0 # 8.81 36.02 4.83333 # ASP Env_3krj_10 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1825 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 22 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0.2153 3 2 1 0 0 0 0 1 0 0 0 3 81.157 0 0 0 0 -1 0 66 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 1 1 0 1 0 0 0 2 0 0 0 0 0 -1.2057 5 2 1 2 0 0 0 1 0 2 0 4 104.145 0 0 0 0 -2 2 143 1 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 1 0 0 4 1 0 0 4 0 1 0 0 2 0 0 0 1 0 1 1 0 0 2 2 1 0 0 2 6 0 4 0 0 0 2 0 0 0 0 0 -1.6412 14 8 4 2 0 0 0 4 0 2 0 11 347.616 0 0 0 0 -3 4 346 1 2 0 0 0 0 0 4 0 0 3 0 0 2 0 0 0 0 0 2 0 0 8 2 0 4 8 4 2 0 0 3 0 0 0 7 0 2 2 0 0 3 9 2 0 0 6 11 2 1 1 0 0 5 0 0 0 0 0 0.0055 26 19 2 5 0 0 0 1 1 5 1 18 703.014 0.333 0 0.333 0.333 -2 19 1216 3 6 0 0 0 0 0 4 0 0 5 2 0 2 0 0 0 0 0 4 0 0 14 8 0 4 14 4 8 0 0 5 0 0 0 13 0 6 2 0 0 5 19 2 0 0 2 9 2 6 2 0 0 3 0 0 0 0 0 -5.8364 24 13 8 3 0 0 0 7 1 3 2 12 589.814 0.666 0 0.666 0.666 -1 35 914 1 2 0 3 0 0 0 4 0 0 6 4 0 3 0 0 0 0 0 1 0 0 11 9 0 4 11 4 6 3 0 3 0 0 0 11 0 2 8 0 0 3 13 8 0 0 # 4.2 27.67 3.4 # ALA Env_3krj_11 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0252 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 32 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.3054 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 224 0 0 0 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 3 0 4 0 1 0 0 0 0 1 0 1 0 3 0 0 0 2 3 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 -0.5679 1 0 0 1 0 0 0 0 0 1 0 1 11.494 0 0 0 0 -1 0 112 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 2 4 0 2 0 0 0 4 0 0 0 0 0 -1.9918 12 6 2 4 0 0 0 2 0 4 0 10 275.31 0 0 0 0 -4 2 503 0 0 0 4 3 0 0 0 0 0 2 0 0 0 0 0 0 0 3 0 0 0 2 4 6 0 2 6 0 4 0 0 0 0 4 2 5 0 1 0 0 0 11 1 0 0 4 10 1 2 0 0 0 0 1 0 0 0 0 0.0818 18 15 2 1 0 0 0 2 0 0.5 1 9 519.199 0.666 0.666 0 0.666 3 18 421 0 0 0 2 5 0 0 0 0 0 10 0 0 0 0 0 0 0 1 0 0 0 10 2 6 0 10 6 0 2 0 0 1 0 2 9 3 0 3 0 0 1 14 3 0 0 3 8 5 5 0 0 0 2 1 1 0 1 0 -4.9974 26 16 5 4 1 0 1.5 5 0 2.5 6 10 631.191 0.333 0.333 0 0.333 -1 44 1040 0 0 3 1 3 0 0 0 0 0 5 0 0 5 0 0 2 0 5 2 0 0 12 1 13 0 12 13 0 1 0 0 9 0 1 8 3 0 5 0 0 9 12 5 0 0 # 9.32 34.23 10.24 # GLY Env_3krj_12 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1102 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 79 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 3 0 1 0 0 0 0 0 0 0 0 0 0.0709 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 5 395 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 1 2 0 1 0 0 0 2 0 0 0 0 0 -1.6854 6 3 1 2 0 0 0 1 0 2 0 4 137.655 0 0 0 0 -1 5 283 0 0 0 0 0 0 0 1 0 0 2 0 0 0 0 0 1 0 0 2 0 0 4 0 1 1 4 2 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 1 5 0 2 0 0 0 2 0 0 0 0 0 -1.664 10 6 2 2 0 0 0 2 0 2 0 8 252.322 0 0 0 0 -2 3 427 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 2 0 0 5 0 0 5 2 2 1 5 3 1 1 0 0 0 0 0 10 0 0 0 0 0 0 10 0 0 0 3 8 0 2 0 0 0 2 0 0 0 0 0 0.0248 15 11 2 2 0 0 0 2 0 2 0 9 419.872 0 0 0 0 1 7 569 2 0 0 0 0 0 2 2 0 0 0 1 0 0 0 0 3 0 0 5 0 0 7 3 3 2 7 5 1 2 0 1 0 0 0 14 0 0 0 0 0 1 14 0 0 0 4 7 2 2 0 0 0 3 1 1 0 0 0 -2.6017 20 13 2 5 0 0 1 2 0 3.5 2 11 502.771 0.666 0.666 0 0.666 -1 23 927 5 0 0 0 0 0 5 0 0 0 0 3 0 0 0 0 1 0 2 4 0 0 9 8 3 0 9 3 3 5 0 3 0 0 0 15 0 0 2 0 0 3 15 2 0 0 # 2.99 28.15 8.84 # LEU Env_3krj_13 0 1 0 0 0 0 0 0 0 0 0 0 0 0.2985 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 -1.1414 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 4 44 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 2 0 0 1 0 0 0 1 0 0 0 0 0 0.2109 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 38 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 0 3 0 1 0 3 1 0 0 0 0 0 0 1 0 0 0 3 0 0 0 1 3 0 0 1 4 2 1 0 0 0 2 1 0 0 0 0 -2.1303 11 7 1 3 0 0 0 1 0 2.5 2 7 271.854 0.333 0.333 0 0.333 -1 14 146 0 0 1 0 0 0 1 2 0 4 0 1 0 2 0 0 0 0 0 0 0 0 6 2 1 2 6 3 1 1 0 0 0 0 2 4 0 0 5 0 0 0 6 5 0 0 5 16 2 4 0 0 0 3 0 1 0 1 0 -2.0535 32 23 4 4 1 0 1.5 4 0 3 2 14 878.529 0.333 0.333 0 0.333 5 39 658 0 0 3 1 1 0 7 1 0 5 3 5 1 2 0 0 3 0 0 0 0 0 11 13 7 1 11 8 5 8 0 0 1 0 3 20 0 0 8 0 0 1 23 8 0 0 4 11 5 5 0 1 0 6 1 0 1 0 0 -6.9081 34 20 6 7 1 0 0 5 1 6.5 5 16 840.491 1.333 0.333 1 1.333 -1 57 537 0 0 6 3 1 0 1 1 0 4 5 3 1 2 0 0 3 3 1 0 0 0 12 7 14 1 15 12 3 4 0 1 1 0 2 14 2 0 14 0 0 2 18 14 0 0 # 14.75 25.26 6.86 # VAL Env_3krj_14 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1102 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 26 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 -0.5263 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 5 104 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 2 2 0 1 0 0 0 1 0 0 0 0 0 -0.3241 6 4 1 1 0 0 0 1 0 1 0 4 159.671 0 0 0 0 -1 4 87 0 0 0 0 1 0 0 0 0 0 4 0 0 0 0 0 0 0 0 1 0 0 5 0 1 0 5 1 0 0 0 0 0 0 0 5 0 0 1 0 0 0 5 1 0 0 3 5 2 0 0 0 0 4 0 0 0 1 0 -1.3834 15 10 0 4 1 0 0.5 0 0 4 2 10 393.619 0 0 0 0 -1 14 202 0 0 0 1 1 0 0 2 0 0 3 3 0 2 0 0 0 0 0 3 0 0 8 4 1 2 8 3 3 1 0 0 0 0 1 8 0 0 6 0 0 0 9 6 0 0 4 11 2 8 0 0 0 3 0 0 0 0 0 -2.8119 28 17 8 3 0 0 0 8 0 3 2 18 703.27 0 0 0 0 -1 20 336 1 0 2 3 4 0 0 2 0 1 3 4 0 2 0 0 1 0 0 5 0 0 12 7 7 2 12 9 4 3 0 2 1 0 3 13 0 0 9 0 0 3 16 9 0 0 5 17 2 5 0 0 0 8 0 1 0 0 0 -6.1363 38 24 5 9 0 0 1 5 0 8 2 25 951.183 0.333 0.333 0 0.333 -6 28 956 5 1 1 2 1 0 1 2 0 3 4 1 0 2 0 0 4 0 6 5 0 0 19 5 12 2 19 14 2 3 0 3 2 0 2 17 5 0 9 0 0 5 24 9 0 0 # 13.25 30.99 8.04 # LEU Env_3krj_15 1 0 0 0 0 0 0 0 2 0 0 0 0 -0.832 3 1 0 2 0 0 0 0 0 1 0 0 48.853 0.999 0.999 0 0.999 -2 11 99 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0136 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 33 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 -0.4133 4 3 0 1 0 0 1 0 0 0 2 0 97.767 0 0 0 0 1 16 255 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 1 3 0 0 3 0 1 0 0 0 0 0 1 0 0 3 0 0 0 1 3 0 0 1 5 2 1 0 1 0 0 0 0 0 0 0 -1.1046 10 8 2 0 0 0 0 1 1 0 2 3 301.749 1 0 1 1 4 24 637 1 0 0 0 0 0 2 0 0 0 1 4 0 0 0 0 0 0 2 0 0 0 2 6 2 0 2 2 4 2 0 0 0 0 0 8 0 0 2 0 0 0 8 2 0 0 1 6 2 2 0 0 0 4 0 0 0 0 0 -3.0492 15 9 2 4 0 0 0 2 0 4 2 9 355.92 0 0 0 0 0 12 1051 3 0 0 0 0 0 2 0 0 0 2 5 0 0 0 0 0 0 2 1 0 0 6 7 2 0 6 2 5 2 0 0 0 0 0 13 0 0 2 0 0 0 13 2 0 0 5 9 0 4 0 0 0 1 0 1 0 0 0 -0.27 20 14 4 2 0 0 1 4 0 1 0 14 554.339 0 0 0 0 -1 10 1273 1 0 0 0 0 0 0 3 0 0 1 6 0 0 0 0 2 0 2 5 0 0 7 6 4 3 7 7 6 0 0 0 0 0 0 18 0 0 2 0 0 0 18 2 0 0 # 3.75667 27.7233 16.1767 # GLU Env_3krj_16 1 0 0 0 0 0 0 0 2 0 0 0 0 -0.832 3 1 0 2 0 0 0 0 0 1 0 0 48.853 0.999 0.999 0 0.999 -2 11 138 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0136 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 46 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 2 0 2 0 1 0 0 0 0 0 0 0 -1.8679 5 2 3 0 0 0 0 2 1 0 0 1 139.096 1 0 1 1 1 10 90 0 0 3 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 3 0 0 3 1 1 0 0 0 0 0 2 0 0 3 0 0 0 2 3 0 0 3 5 0 1 0 0 0 2 0 0 0 0 0 0.1597 11 8 1 2 0 0 0 1 0 2 0 8 292.274 0 0 0 0 -3 9 188 0 0 4 0 0 0 2 0 0 1 0 2 0 0 0 0 0 0 0 2 0 0 3 4 4 0 3 4 2 2 0 0 0 0 1 4 0 0 6 0 0 0 5 6 0 0 3 6 0 3 0 0 0 6 0 0 0 1 0 -3.7613 19 9 3 6 1 0 0.5 3 0 6 0 11 439.486 0 0 0 0 -4 18 657 0 0 1 0 1 0 3 0 1 1 4 1 0 0 0 0 1 0 2 4 0 0 9 4 6 0 9 5 2 3 0 0 0 0 1 8 1 0 9 0 0 0 10 9 0 0 4 16 0 6 0 0 0 3 0 1 0 0 0 -2.854 30 20 6 4 0 0 1 6 0 3 0 17 806.661 0 0 0 0 -2 21 1159 0 0 1 0 2 3 3 0 2 4 5 1 0 0 0 0 6 0 2 1 0 0 10 4 16 0 10 14 3 3 0 0 0 0 4 12 4 0 10 0 0 0 20 10 0 0 # 16.9933 23.8133 12.06 # GLU Env_3krj_17 0 0 0 0 0 0 0 0 0 1 0 0 0 -0.6761 1 0 0 1 0 0 1 0 0 0 0 0 17.157 0 0 0 0 -1 2 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0.0828 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 1 3 30 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 1 0 0 2 0 0 0 2 0 0 0 0 0 -1.4705 5 1 2 2 0 0 0 2 0 2 0 5 84.772 0 0 0 0 -4 0 84 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 1 3 0 1 3 0 1 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 3 6 0 1 0 0 0 4 0 0 0 0 0 -1.4278 14 9 1 4 0 0 0 1 0 4 0 10 361.703 0 0 0 0 -1 8 217 4 0 1 0 0 0 3 0 0 2 0 2 0 0 0 0 0 0 0 2 0 0 8 5 1 0 8 1 2 3 0 0 0 0 0 12 0 0 2 0 0 0 12 2 0 0 5 9 0 4 0 0 0 1 0 0 0 0 0 0.2778 19 14 4 1 0 0 0 4 0 1 0 13 537.182 0 0 0 0 1 11 224 0 0 1 0 0 0 1 0 0 2 1 2 1 0 0 0 0 0 1 10 0 0 14 3 2 0 14 2 2 1 0 0 1 0 0 13 0 0 5 0 0 1 13 5 0 0 2 24 2 3 0 1 0 3 2 0 1 0 0 -5.6479 38 28 4 5 1 0 0 3 1 4 2 14 1089.5 1.666 0.666 1 1.666 12 56 775 0 0 2 1 0 0 3 0 0 3 9 3 1 2 0 0 0 0 3 11 0 0 26 7 5 0 26 5 3 4 0 0 2 0 0 26 0 0 10 0 0 2 26 10 0 0 # 10.35 22.23 8.24 # THR Env_3krj_18 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0252 1 1 0 0 0 0 0 0 0 0 0 1 33.51 0 0 0 0 0 0 17 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 2 0 0 2 0 0 0 1 0 0 0 0 0 -0.2047 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 86 0 0 0 0 0 0 0 3 0 0 1 0 0 1 0 0 0 0 0 0 0 0 2 0 0 3 2 3 0 0 0 4 0 0 0 0 0 0 1 0 0 4 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 -0.5679 1 0 0 1 0 0 0 0 0 1 0 1 11.494 0 0 0 0 -1 0 30 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 2 7 0 3 0 0 0 0 1 0 0 0 0 -1.0729 13 9 3 1 0 0 0 3 0 0.5 0 7 358.138 0.333 0.333 0 0.333 1 11 401 1 3 0 2 0 0 0 0 0 1 3 0 0 3 0 0 0 0 0 0 0 0 8 5 0 0 8 0 3 2 0 5 0 0 0 0 0 3 5 0 0 5 3 5 0 0 3 8 2 0 2 0 0 4 2 1 0 0 0 -4.0228 22 13 2 7 0 0 1 0.5 1.5 5 2 8 539.194 1.332 0.999 0.333 1.332 -3 42 585 3 6 1 6 0 0 0 0 0 1 2 0 0 1 0 0 0 0 2 0 0 0 7 12 3 0 7 3 6 6 0 7 0 0 0 0 0 5 10 0 0 7 5 10 0 0 4 8 7 4 1 1 0 2 0 1 0 0 0 -3.7902 28 19 6 3 0 0 1 4 2 2 8 6 691.175 1.666 0.333 1.333 1.666 3 75 637 1 4 2 3 0 2 0 0 0 3 2 2 0 3 0 0 0 0 6 0 0 0 9 9 10 0 9 10 6 3 0 8 0 0 0 2 0 5 13 0 0 8 7 13 0 0 # 6.89 26.77 -1.86 # GLY Env_3krj_19 0 1 0 0 0 0 0 0 0 0 0 0 0 0.2985 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 -1.1414 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 4 64 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 2 0 0 1 0 0 0 1 0 0 0 0 0 0.3477 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 105 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 3 0 0 3 1 0 0 3 0 1 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 1 8 0 2 0 0 0 3 0 0 0 0 0 -3.111 14 9 2 3 0 0 0 2 0 3 0 10 364.346 0 0 0 0 -1 7 411 2 0 0 0 0 0 0 2 0 0 2 5 0 0 0 0 0 0 0 3 0 0 7 5 0 2 7 2 5 0 0 2 0 0 0 12 0 0 0 0 0 2 12 0 0 0 7 14 0 6 0 0 0 2 0 0 0 0 0 0.104 29 21 6 2 0 0 0 6 0 2 0 19 811.52 0 0 0 0 2 17 739 5 0 0 0 0 0 1 2 0 0 8 6 1 0 0 0 0 0 0 6 0 0 20 7 0 2 20 2 6 1 0 6 0 0 0 23 0 0 0 0 0 6 23 0 0 0 3 18 0 4 0 1 0 9 0 1 0 0 0 -7.2642 36 21 5 10 0 0 1 4 1 9 0 22 914.371 1 0 1 1 -3 36 1130 5 1 0 0 0 0 1 2 0 0 6 5 4 4 0 0 4 0 0 4 0 0 23 7 4 2 23 6 6 1 0 5 0 0 0 26 0 1 4 0 0 5 27 4 0 0 # 3.98 24.56 6.13 # VAL Env_3krj_20 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1102 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 5 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 3 0 1 0 0 0 0 0 0 0 0 0 0.0709 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 5 25 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 5 0 0 0 0 5 0 0 0 0 0 0 0 0 0 5 0 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 -0.7983 4 2 1 1 0 0 0 1 0 1 0 3 92.651 0 0 0 0 -1 3 49 1 0 0 0 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 3 0 0 1 3 1 0 0 0 4 0 0 0 0 0 0 0 0 0 4 0 0 0 0 1 3 0 2 0 1 0 3 0 0 0 0 0 -2.2824 10 4 3 3 0 0 0 2 1 3 0 8 230.306 1 0 1 1 -5 9 301 1 0 0 0 0 0 0 3 0 0 0 4 0 2 0 0 0 0 0 0 0 0 3 4 0 3 3 3 4 0 0 4 0 0 0 4 0 0 2 0 0 4 4 2 0 0 4 11 2 4 0 0 0 3 0 1 0 0 0 -2.8803 25 17 4 4 0 0 1 4 0 3 3 15 650.948 0 0 0 0 0 28 541 2 1 0 1 0 0 0 4 0 0 0 6 2 1 0 0 0 0 4 4 0 0 9 8 4 4 9 8 7 1 0 2 0 0 0 16 0 1 6 0 0 2 17 6 0 0 8 14 5 6 0 0 0 4 2 0 0 0 0 -3.1951 39 27 6 6 0 0 0 6 0 5 5 23 1004.08 0.999 0.999 0 0.999 1 38 1220 4 5 0 2 0 0 2 4 0 0 4 3 2 9 0 0 0 0 3 1 0 0 20 12 3 4 20 7 8 4 0 1 3 0 0 14 0 12 9 0 0 4 26 9 0 0 # 4.72 23.33 0.74 # LEU Env_3krj_21 0 0 0 0 0 0 0 0 0 0 0 1 0 -0.3118 1 0 0 0 1 0 0.5 0 0 0 0 0 26.521 0 0 0 0 -1 2 9 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.123 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 0 1 9 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0.2028 3 2 1 0 0 0 0 1 0 0 0 3 81.157 0 0 0 0 -1 0 92 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 3 13 0 2 0 0 0 4 0 1 0 0 0 -2.4655 23 16 2 5 0 0 1 2 0 4 0 11 627.567 0 0 0 0 1 24 613 0 0 0 0 2 0 3 0 0 0 5 4 0 0 0 0 5 0 3 1 0 0 6 7 10 0 6 10 4 3 0 0 0 0 0 17 0 0 6 0 0 0 17 6 0 0 3 10 0 5 0 1 0 3 1 0 0 0 0 -3.8658 23 13 6 4 0 0 0 5 1 3.5 0 15 575.513 1.666 0.666 1 1.666 -3 21 629 0 0 0 0 1 0 5 0 0 0 7 4 0 0 0 0 1 0 1 4 0 0 11 9 3 0 11 3 4 5 0 0 0 0 0 18 1 0 4 0 0 0 19 4 0 0 9 4 6 5 0 0 0 4 1 0 0 0 0 -0.7236 29 19 5 5 0 0 0 5 0 4.5 6 20 719.612 0.333 0.333 0 0.333 -3 27 990 1 0 2 0 3 0 1 4 0 2 1 1 0 3 0 0 3 0 4 4 0 0 11 2 12 4 11 16 1 1 0 1 0 0 2 9 4 0 13 0 0 1 15 13 0 0 # 13.72 28.51 10.94 # CYS Env_3krj_22 1 0 0 0 0 0 0 0 2 0 0 0 0 -0.8035 3 1 0 2 0 0 0 0 0 1 0 0 48.853 0.999 0.999 0 0.999 -2 8 69 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0303 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 23 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0.6136 3 3 0 0 0 0 0 0 0 0 0 2 100.53 0 0 0 0 1 2 63 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 1 2 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 1 4 1 4 1 0 1 2 0 0 0 0 0 -3.8339 14 6 6 2 0 0 0 4 2 2 2 8 325.057 0 0 0 0 -7 18 236 0 3 1 2 0 0 0 4 0 0 0 0 0 2 0 0 0 2 0 0 0 0 2 5 3 4 4 5 3 2 0 3 0 0 0 0 0 0 11 0 0 3 0 11 0 0 6 3 6 3 0 1 2 4 2 0 0 0 0 -1.9465 27 15 6 6 0 0 0 4 2 5 7 11 595.973 2.332 0.999 1.333 3.332 -5 51 365 0 4 3 4 0 1 1 1 4 0 1 1 0 1 0 0 0 5 0 1 0 0 3 10 13 1 8 5 9 5 0 5 1 0 0 1 0 0 20 0 0 6 1 20 0 0 5 11 9 3 2 0 0 4 2 2 0 0 0 -5.7978 38 25 5 8 0 0 2 4 1 5 9 17 949.867 1.665 0.999 0.666 1.665 -1 72 797 0 4 1 4 0 2 3 3 4 0 0 0 0 6 0 0 0 4 3 4 0 0 10 11 14 3 14 9 8 7 0 2 3 0 0 0 0 2 31 0 0 5 2 31 0 0 # 11.5 25.3367 -2.42667 # ASP Env_3krj_23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 # 0 0 0 # TYR Env_3krj_24 0 0 1 0 0 0 0 0 0 0 0 0 0 0.8076 1 1 0 0 0 0 0 0 0 0 0 0 20.579 0.333 0 0.333 0.333 0 5 70 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 -2.2062 4 1 3 0 0 0 0 1 2 0 0 0 102.947 0.666 0 0.666 0.666 -3 19 280 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.039 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 70 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 2 4 0 0 0 0 0 1 1 0 0 0 0 -0.1526 8 6 0 2 0 0 0 0 0 1.5 0 3 213.76 0.666 0.666 0 0.666 1 8 158 0 5 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 0 0 0 0 5 3 0 4 0 0 3 0 0 1 0 0 0 4 4 0 0 0 1 5 2 3 0 0 0 3 1 0 0 0 0 -4.1222 15 8 3 4 0 0 0 3 0 3.5 2 6 349.482 0.333 0.333 0 0.333 -2 21 449 3 4 3 1 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 7 5 3 0 7 3 4 1 0 7 1 0 1 0 0 2 4 0 0 8 3 4 0 0 6 8 1 6 1 0 0 3 1 0 0 0 0 -3.0213 26 15 7 4 0 0 0 6 1 3.5 1 16 623.819 0.333 0.333 0 0.333 -6 26 689 4 3 5 5 0 0 0 1 0 0 3 0 0 4 0 0 0 0 0 1 0 0 12 8 5 1 12 6 3 5 0 10 4 0 3 2 0 1 6 0 0 14 6 6 0 0 # 6.61 33.23 2.01 # ARG Env_3krj_25 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1825 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0.2153 3 2 1 0 0 0 0 1 0 0 0 3 81.157 0 0 0 0 -1 0 24 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.3863 3 1 1 1 0 0 0 1 0 1 0 3 59.141 0 0 0 0 -2 0 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 2 6 1 1 0 0 0 4 0 1 0 0 0 -3.3566 15 9 1 5 0 0 1 1 0 4 1 10 371.871 0 0 0 0 -2 11 515 0 0 0 0 0 0 2 0 0 0 1 0 0 0 0 0 3 0 4 5 0 0 6 2 7 0 6 7 0 2 0 0 0 0 0 11 0 0 4 0 0 0 11 4 0 0 4 17 2 8 0 0 0 2 0 0 0 0 0 -2.1977 33 23 8 2 0 0 0 8 0 2 2 19 886.894 0 0 0 0 3 24 716 1 0 0 0 1 0 5 0 0 0 2 2 0 0 0 0 4 0 3 15 0 0 18 7 8 0 18 8 2 5 0 0 0 0 0 29 0 0 4 0 0 0 29 4 0 0 5 16 1 1 0 0 0 6 0 0 0 0 0 -3.3704 29 22 1 6 0 0 0 1 0 6 2 14 800.401 0 0 0 0 7 32 712 3 0 0 0 0 0 4 0 0 6 2 5 0 0 0 0 0 0 3 6 0 0 17 9 3 0 17 3 5 4 0 0 0 0 0 25 0 0 4 0 0 0 25 4 0 0 # 7.49 24.05 10.23 # ALA