# EXCLUDED_RESIDUES HETATM # PDBID_LIST 1s3b # POINT_FILE ../DUDE/pocket_res_ptf_dude_crys/1s3b_POC.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_1s3b_0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 21 138 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 6 0 0 0 0 0 0 6 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0342 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 23 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 1 0 0 0 0 0 0 1 0 0 0 2 4 1 1 0 0 0 1 0 1 1 0 0 -1.4857 11 7 1 2 1 0 1 1 0 1 2 4 283.959 0 0 0 0 2 26 203 0 0 0 0 0 0 0 2 0 0 0 1 2 2 0 0 0 0 3 1 0 0 5 1 3 2 5 5 1 0 0 0 0 0 0 8 0 3 0 0 0 0 11 0 0 0 1 9 4 3 0 1 0 3 0 0 0 0 5 -4.3801 26 18 5 3 0 0 0 3 1 3 4 9 699.764 1 0 1 1 5 36 276 0 0 0 0 0 0 0 2 0 2 2 6 1 2 0 0 0 0 5 1 0 5 8 6 5 7 8 7 6 0 5 0 1 0 0 18 0 2 5 0 0 1 20 5 0 0 7 16 5 4 0 0 0 5 0 1 0 0 5 -3.0303 43 32 4 7 0 0 1 4 0 5 6 22 1155.23 0 0 0 0 5 44 468 0 0 0 0 2 0 0 1 0 6 8 1 4 0 0 0 3 0 11 2 0 5 20 1 16 6 20 17 1 0 5 0 5 0 0 29 0 4 5 0 0 5 33 5 0 0 # 51.7917 155.614 20.0812 # PHE 341 Env_1s3b_1 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 32 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 -0.1143 3 2 1 0 0 0 0 1 0 0 0 2 81.157 0 0 0 0 0 2 96 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 2 2 0 1 0 0 0 2 0 0 0 0 0 -1.181 7 4 1 2 0 0 0 1 0 2 0 5 171.165 0 0 0 0 -1 6 178 0 0 1 0 1 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 5 0 2 0 5 2 0 0 0 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 2 5 0 2 0 0 0 2 0 0 0 0 0 -1.5636 11 7 2 2 0 0 0 2 0 2 0 9 285.832 0 0 0 0 -2 6 164 0 0 3 0 1 0 0 0 0 0 3 0 0 4 0 0 0 0 0 0 0 0 7 0 4 0 7 4 0 0 0 0 10 0 0 1 0 0 0 0 0 10 1 0 0 0 3 12 4 2 0 0 0 1 0 1 0 1 0 -1.8836 24 19 2 2 1 0 1.5 2 0 1 5 7 673.307 0 0 0 0 8 38 324 1 0 1 0 3 0 0 0 0 0 6 0 0 2 0 0 0 0 6 5 0 0 14 0 10 0 14 10 0 0 0 0 14 0 0 7 0 3 0 0 0 14 10 0 0 0 6 8 10 4 0 0 0 4 0 0 0 0 0 -3.0275 32 24 4 4 0 0 0 4 0 4 11 14 809.42 0 0 0 0 6 54 559 3 0 3 0 1 0 0 0 0 0 2 0 0 7 0 0 5 0 8 3 0 0 15 0 17 0 15 17 0 0 0 0 14 0 0 10 0 8 0 0 0 14 18 0 0 0 # 47.114 156.117 25.96 # LEU 169 Env_1s3b_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 0 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 1 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 24 0 0 0 0 0 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 0 5 0 0 0 0 0 0 0 0 4 1 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 -1.1765 2 0 0 2 0 0 0 0 0 2 0 1 22.988 0 0 0 0 -2 4 24 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 2 0 0 0 0 0 0 0 0 1 1 0 0 0 0 2 0 0 0 4 5 3 5 0 0 0 4 0 0 0 0 0 -3.6291 21 12 5 4 0 0 0 5 0 4 3 12 492.536 0 0 0 0 -4 33 193 0 1 0 0 0 8 1 4 0 1 0 0 0 0 0 1 0 3 0 2 0 0 3 2 12 4 6 13 1 1 0 0 2 0 0 2 6 6 5 0 0 2 14 5 0 0 7 11 5 5 0 0 0 6 0 1 0 0 0 -2.3764 35 23 5 7 0 0 1 5 0 6 6 21 867.776 0 0 0 0 -4 43 446 0 3 1 0 0 3 2 2 0 4 0 0 0 0 3 3 2 3 7 2 0 0 9 5 19 2 12 18 3 2 0 0 7 0 0 5 5 11 7 0 0 7 21 7 0 0 4 14 6 3 0 0 1 5 0 2 0 0 1 -3.5178 36 24 5 7 0 0 2 3 1 5 7 17 913.391 0 0 0 0 1 36 577 0 4 3 0 1 1 2 0 0 5 0 0 0 0 3 1 6 2 6 1 0 1 9 6 20 1 11 18 4 2 1 0 8 0 0 7 8 10 3 0 0 8 25 3 0 0 # 58.184 152.957 30.13 # GLY 203 Env_1s3b_3 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 28 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 -0.2047 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 96 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 4 0 5 0 0 0 0 0 0 0 0 0 1 4 0 0 0 1 4 0 0 0 0 0 0 0 0 0 1 0 0 0 0 7 -0.5679 8 4 2 2 0 0 0 0 0 1 0 1 185.302 0 0 0 0 -2 0 8 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0 8 0 1 0 0 7 0 0 0 0 0 0 1 7 0 0 0 1 7 0 0 2 8 0 1 0 0 0 1 0 1 1 0 11 -0.4093 25 18 3 3 1 0 1 1 0 1 0 7 712.257 0 0 0 0 2 15 190 0 2 0 0 0 0 0 2 0 0 0 0 3 0 0 4 3 0 0 0 0 11 3 2 7 13 3 9 2 0 11 0 3 0 0 0 3 2 17 0 0 3 5 17 0 0 3 4 0 3 0 1 0 1 0 1 0 0 6 -0.9438 19 11 4 4 0 0 1 3 1 1 0 7 483.239 1.333 0.333 1 1.333 -2 12 217 0 2 0 2 0 0 0 0 0 0 1 1 0 0 0 3 2 0 2 0 0 6 1 5 7 6 1 7 3 2 6 0 0 0 0 4 3 1 11 0 0 0 8 11 0 0 4 13 10 4 0 0 1 6 2 1 0 1 1 -6.9407 43 27 5 10 1 0 1.5 4 1 7 11 21 1046.59 0.666 0.666 0 0.666 -3 65 752 0 1 0 5 1 0 0 1 0 1 3 2 3 2 0 3 2 4 14 0 0 1 9 8 24 2 13 21 3 5 1 4 4 0 0 16 5 9 5 0 0 8 30 5 0 0 # 57.464 149.331 19.116 # GLY 56 Env_1s3b_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 5 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 10 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 2 0 0 0 0 0 -0.9381 3 1 0 2 0 0 0 0 0 2 0 2 56.498 0 0 0 0 -2 1 13 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 2 0 1 0 0 0 0 0 1 0 1 1 0 0 0 2 1 0 0 4 8 0 3 0 1 0 1 0 1 0 0 0 -0.6096 18 12 4 2 0 0 1 3 1 1 0 12 506.692 1 0 1 1 0 13 110 0 0 0 3 0 0 0 4 0 0 4 3 1 0 0 3 0 0 0 0 0 0 5 6 3 4 5 7 3 3 0 0 0 0 0 7 0 7 4 0 0 0 14 4 0 0 3 8 5 3 0 0 0 1 4 1 1 0 6 -5.7026 32 20 4 7 1 0 1 3 0 3 6 6 789.155 1.665 1.665 0 1.665 2 65 284 0 0 0 6 0 0 0 3 0 2 1 1 3 3 0 1 0 0 5 1 0 6 10 7 6 9 10 9 1 6 6 0 0 0 0 19 0 1 12 0 0 0 20 12 0 0 3 12 6 2 0 0 1 6 0 1 0 0 5 -3.78 36 26 3 7 0 0 1 2 1 6 7 14 939.485 0.333 0.333 0 0.333 6.5 39 308 0 0 0 2 2 0 0 1 0 1 2 6 1 3 0 2 0 1 6 4 0 5 11 8 11 6 12 11 6 2 5 1 0 0 0 23 1 2 9 0 0 1 26 9 0 0 # 57.116 154.505 17.41 # LYS 294 Env_1s3b_5 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.8541 3 1 1 1 0 0 0 1 0 1 0 0 56.502 0 0 0 0 -2 11 72 0 0 0 0 0 3 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 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0644 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 24 0 0 0 0 0 1 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 2 0 1 0 0 0 1 0 0 0 0 0 -0.3929 5 3 1 1 0 0 0 1 0 1 0 4 126.161 0 0 0 0 -1 1 78 0 0 0 0 0 3 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 3 1 1 4 0 0 0 0 1 0 0 0 4 0 0 0 0 1 4 0 0 0 4 1 0 1 0 0 0 3 0 0 0 0 0 0.2443 9 5 1 3 0 0 0 1 0 3 0 9 216.169 0 0 0 0 -4 0 108 0 0 0 0 0 1 0 3 0 3 0 0 0 0 0 2 0 0 0 0 0 0 3 0 3 3 3 6 0 0 0 0 3 0 0 0 4 0 2 0 0 3 4 2 0 0 2 8 6 4 0 0 0 3 0 3 0 0 0 -6.1228 26 16 4 6 0 0 3 4 0 3 7 13 617.854 0 0 0 0 -1 45 427 0 1 0 0 0 1 1 3 0 4 1 0 0 0 0 2 3 0 10 0 0 0 5 2 16 3 5 19 1 1 0 0 5 0 0 8 1 10 2 0 0 5 19 2 0 0 6 13 7 5 0 0 0 3 0 0 0 0 3 -3.0745 37 27 6 4 0 0 0 5 0 3 9 13 971.075 0 0 0 0 6.5 64 445 0 1 0 0 0 1 1 1 0 6 3 0 0 0 0 1 4 2 11 3 0 3 12 2 19 4 14 18 1 1 3 0 8 0 0 14 0 10 5 0 0 8 24 5 0 0 # 55.6117 154.974 28.1917 # GLN 204 Env_1s3b_6 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 2 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 1 0 0 0 0 0 0 0 0 1 0 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 8 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 4 0 0 0 0 0 0 0 0 4 0 0 0 0 2 0 0 1 0 0 0 2 0 0 0 0 0 -0.357 5 2 1 2 0 0 0 1 0 2 0 5 104.145 0 0 0 0 -3 0 27 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 0 0 2 0 3 0 2 3 0 0 0 0 4 0 0 0 0 1 0 0 0 4 1 0 0 0 0 4 5 1 0 0 0 1 0 0 0 0 0 -2.173 11 9 1 1 0 0 0 1 0 1 5 4 292.276 0 0 0 0 4 25 32 2 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 1 3 0 1 0 0 5 0 6 0 8 3 0 0 0 0 8 0 0 0 0 3 0 0 0 8 3 0 0 0 6 12 13 2 0 0 0 4 0 2 0 0 0 -3.2421 39 31 2 6 0 0 2 2 0 4 14 14 1013.88 0 0 0 0 12 70 302 3 0 3 0 1 0 0 0 0 0 2 0 0 2 0 0 6 3 13 6 0 0 13 0 26 0 16 23 0 0 0 0 22 0 0 0 0 13 4 0 0 22 13 4 0 0 5 9 5 9 0 0 1 5 0 0 0 1 0 -5.1082 35 19 10 5 1 0 0.5 9 1 5 7 23 814.675 0 0 0 0 -8 31 363 0 0 1 0 1 0 2 2 0 0 2 0 0 9 0 0 7 1 7 3 0 0 14 2 17 2 15 18 0 2 0 0 16 0 2 0 0 3 14 0 0 16 5 14 0 0 # 45.118 148.199 26.248 # VAL 171 Env_1s3b_7 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 11 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 1 0 0 0 0 0 0 0 0 1 0 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 11 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 3 1 0 0 0 1 0 0 0 0 0 -1.3652 6 4 1 1 0 0 0 1 0 1 3 3 138.704 0 0 0 0 1 12 62 0 0 0 0 2 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 2 0 4 2 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 3 4 5 1 0 0 0 1 0 0 0 0 0 -0.5017 14 12 1 1 0 0 0 1 0 1 5 5 386.864 0 0 0 0 7 27 117 0 0 0 0 2 0 0 0 0 3 1 0 0 6 0 0 0 0 0 2 0 0 12 0 2 0 12 2 0 0 0 0 14 0 0 0 0 0 0 0 0 14 0 0 0 0 2 12 4 2 0 0 0 3 0 1 0 0 0 -3.2617 24 18 2 4 0 0 1 2 0 3 4 11 655.137 0 0 0 0 6 33 318 0 0 0 0 0 0 0 0 0 4 6 0 0 4 0 0 0 0 3 7 0 0 21 0 3 0 21 3 0 0 0 0 23 0 0 0 0 1 0 0 0 23 1 0 0 0 6 14 6 6 0 0 0 5 0 1 0 0 0 -4.7626 38 26 6 6 0 0 1 6 0 5 8 20 951.029 0 0 0 0 3 56 478 1 0 4 0 0 0 0 0 0 5 3 0 1 4 0 0 3 2 6 9 0 0 23 0 15 0 25 13 0 0 0 0 35 0 0 0 0 3 0 0 0 35 3 0 0 0 # 47.976 152.487 29.993 # CYS 170 Env_1s3b_8 0 0 0 0 0 0 0 0 0 1 0 0 0 -0.6546 1 0 0 1 0 0 1 0 0 0 0 0 17.157 0 0 0 0 -1 2 4 0 0 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 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0.1868 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 0 1 8 0 0 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 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 2 4 0 1 0 1 0 1 1 0 0 0 0 -0.8474 10 6 2 2 0 0 0 1 1 1.5 0 3 261.407 1.666 0.666 1 1.666 0 20 35 0 0 0 3 0 0 0 0 0 0 0 4 0 0 0 3 0 0 0 0 0 0 0 7 3 0 0 3 4 3 0 0 0 0 0 7 0 0 3 0 0 0 7 3 0 0 1 3 1 1 0 1 0 2 1 0 0 0 0 -2.1144 10 5 2 3 0 0 0 1 1 2.5 1 6 239.391 1.333 0.333 1 1.333 -1 11 139 0 0 0 2 0 0 0 3 0 0 0 2 0 0 0 0 0 0 3 0 0 0 0 4 3 3 0 6 2 2 0 0 0 0 0 7 0 1 2 0 0 0 8 2 0 0 5 5 4 4 0 0 0 2 1 2 0 0 2 -3.0248 25 15 4 6 0 0 2 4 0 2.5 5 12 601.244 0.333 0.333 0 0.333 -5.5 36 261 0 1 0 4 0 0 0 2 0 0 0 4 0 1 0 3 0 0 8 0 0 2 1 9 11 4 1 13 5 4 2 0 0 0 0 17 3 1 4 0 0 0 21 4 0 0 7 12 2 5 0 0 0 4 1 2 1 0 3 -3.7839 37 22 7 7 1 0 2 5 0 4.5 3 20 917.287 0.666 0.666 0 0.666 -4.5 42 260 0 1 0 2 0 0 0 6 0 0 3 2 3 5 0 1 1 0 4 6 0 3 17 5 6 9 17 12 3 2 3 0 2 0 0 19 1 5 10 0 0 2 25 10 0 0 # 60.666 154.152 19.307 # SER 57 Env_1s3b_9 0 0 0 0 0 0 0 0 0 1 0 0 0 -0.6546 1 0 0 1 0 0 1 0 0 0 0 0 17.157 0 0 0 0 -1 2 3 0 0 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 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0.1868 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 0 1 6 0 0 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 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 -0.3933 4 2 1 1 0 0 0 1 0 1 0 3 92.651 0 0 0 0 -1 1 125 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 0 0 0 0 0 1 0 3 0 1 3 0 0 0 0 2 0 0 0 0 1 1 0 0 2 1 1 0 0 2 10 0 2 0 0 0 3 0 0 0 0 0 -1.6552 17 12 2 3 0 0 0 2 0 3 0 12 464.876 0 0 0 0 -1 10 526 0 2 0 0 0 0 0 1 0 5 0 0 0 0 2 2 5 0 0 0 0 0 7 2 7 1 7 8 2 0 0 0 10 0 0 0 1 4 2 0 0 10 5 2 0 0 8 7 1 7 0 0 0 5 0 1 0 0 0 -1.7395 29 16 7 6 0 0 1 7 0 5 1 23 702.757 0 0 0 0 -9 12 937 0 2 5 0 0 0 0 2 0 5 0 0 0 1 4 0 10 0 0 0 0 0 10 2 15 2 10 17 2 0 0 0 10 0 0 0 8 10 1 0 0 10 18 1 0 0 2 8 4 4 1 0 0 3 2 1 0 0 0 -6.2571 25 14 5 6 0 0 1 4.5 0.5 4 4 7 603.785 0.999 0.666 0.333 0.999 -3 51 808 0 4 2 0 0 1 2 4 0 4 0 0 0 5 0 0 3 0 0 0 0 0 9 6 6 4 9 10 4 2 0 0 7 0 0 0 5 10 3 0 0 7 15 3 0 0 # 55.906 158.166 35.437 # SER 198 Env_1s3b_10 0 1 0 0 0 0 0 0 0 0 0 0 0 0.1303 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 6 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 -0.8386 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 4 24 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 2 1 0 1 0 0 0 2 0 0 0 0 0 -0.2861 6 3 1 2 0 0 0 1 0 2 0 5 137.655 0 0 0 0 -2 3 81 0 1 0 0 0 0 0 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 4 1 0 1 4 1 1 0 0 0 5 0 0 0 0 0 1 0 0 5 0 1 0 0 2 5 2 0 0 0 0 2 0 1 0 0 0 -1.6367 12 9 0 3 0 0 1 0 0 2 2 7 327.757 0 0 0 0 0 20 166 0 2 0 0 1 0 0 1 0 2 0 0 0 0 0 0 3 2 1 0 0 0 2 2 7 1 4 6 2 0 0 0 7 0 0 0 1 3 1 0 0 7 4 1 0 0 5 11 4 6 0 0 0 3 0 0 0 2 0 -3.1624 31 20 6 3 2 0 1 6 0 3 5 17 801.659 0 0 0 0 0 38 456 0 3 0 0 5 0 0 3 0 3 0 0 0 2 0 1 5 2 1 6 0 0 11 3 14 3 13 15 3 0 0 0 20 0 0 0 5 3 3 0 0 20 8 3 0 0 4 10 8 5 0 0 0 5 0 1 0 0 0 -4.6291 33 22 5 6 0 0 1 5 0 5 8 16 812.097 0 0 0 0 -2 52 498 0 1 0 0 3 3 0 7 0 2 0 1 0 2 0 2 3 2 6 1 0 0 5 2 19 7 7 24 2 0 0 0 16 0 0 0 9 6 2 0 0 16 15 2 0 0 # 52.34 151.709 32.773 # ILE 196 Env_1s3b_11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 60 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 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 -0.5432 3 2 0 0 1 0 0.5 0 0 0 1 0 86.552 0 0 0 0 1 8 49 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 2 0 2 1 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 1 4 4 1 0 0 0 1 0 0 0 0 0 -1.7806 11 9 1 1 0 0 0 1 0 1 4 4 299.265 0 0 0 0 4 24 136 0 0 0 0 1 0 0 0 0 1 0 0 0 5 0 0 0 2 0 2 0 0 8 0 3 0 10 1 0 0 0 0 11 0 0 0 0 0 0 0 0 11 0 0 0 0 0 13 7 2 0 0 0 2 0 0 0 0 0 -2.7727 24 20 2 2 0 0 0 2 0 2 7 8 660.655 0 0 0 0 10 44 189 2 0 0 0 2 0 0 0 0 2 0 0 1 5 0 0 4 3 0 5 0 0 15 0 9 0 18 6 0 0 0 0 24 0 0 0 0 0 0 0 0 24 0 0 0 0 8 16 6 6 0 0 0 6 0 1 1 0 0 -3.7753 44 30 6 7 1 0 1 6 0 6 6 24 1148.95 0 0 0 0 6 46 677 3 0 1 0 1 0 0 1 0 10 10 0 3 5 0 0 5 1 0 4 0 0 35 0 8 1 36 8 0 0 0 0 42 0 0 0 0 1 1 0 0 42 1 1 0 0 # 46.421 154.245 32.6245 # PHE 166 Env_1s3b_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 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 -0.1143 3 2 1 0 0 0 0 1 0 0 0 2 81.157 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 3 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 2 2 0 1 0 0 0 2 0 1 0 0 0 -1.8396 8 4 1 3 0 0 1 1 0 2 0 5 188.322 0 0 0 0 -2 12 26 0 0 0 1 0 0 0 0 0 0 4 0 0 0 0 0 2 0 1 0 0 0 4 1 3 0 4 3 0 1 0 0 0 0 0 8 0 0 0 0 0 0 8 0 0 0 2 4 2 0 0 0 0 2 0 1 0 0 0 -1.8082 11 8 0 3 0 0 1 0 0 2 3 5 281.316 0 0 0 0 1 21 87 0 0 0 3 0 0 0 0 0 0 0 0 2 0 0 0 2 0 3 1 0 0 3 3 5 0 3 5 0 3 0 0 0 0 0 10 0 0 1 0 0 0 10 1 0 0 3 12 3 4 0 0 0 1 0 3 1 0 0 -3.1956 27 18 4 4 1 0 3 4 0 1 4 10 715.316 0 0 0 0 3 40 138 0 0 0 4 0 0 0 2 0 0 0 0 6 0 0 0 8 0 5 2 0 0 8 4 13 2 8 15 0 4 0 0 0 0 0 21 0 1 5 0 0 0 22 5 0 0 8 12 7 4 0 0 0 5 2 0 0 0 0 -2.7179 38 27 4 7 0 0 0 4 0 6 7 19 960.393 1.332 1.332 0 1.332 3 47 371 1 0 3 5 1 3 0 4 0 4 0 1 1 2 0 0 4 0 7 2 0 0 10 6 18 4 10 22 1 5 0 0 0 0 0 25 3 2 8 0 0 0 30 8 0 0 # 56.653 161.352 22.862 # LEU 326 Env_1s3b_13 0 1 0 0 0 0 0 0 0 0 0 0 0 0.1303 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 36 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 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 -0.2414 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 4 180 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 5 0 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 1 1 0 1 0 0 0 2 0 0 0 0 0 -1.0201 5 2 1 2 0 0 0 1 0 2 0 4 104.145 0 0 0 0 -2 3 83 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 1 0 0 0 0 0 3 0 2 0 3 2 0 0 0 0 4 0 0 0 0 0 1 0 0 4 0 1 0 0 1 3 2 0 0 0 0 2 0 0 0 0 0 -1.2393 8 6 0 2 0 0 0 0 0 2 2 5 210.07 0 0 0 0 1 9 77 0 0 0 0 0 0 0 0 0 3 0 0 0 2 0 1 2 0 0 0 0 0 5 0 3 0 5 3 0 0 0 0 7 0 0 0 0 0 1 0 0 7 0 1 0 0 3 7 6 4 0 0 0 3 0 1 0 0 0 -2.6814 24 16 4 4 0 0 1 4 0 3 6 11 606.763 0 0 0 0 1 39 524 0 3 0 0 0 1 0 0 0 3 0 0 0 4 2 4 5 2 0 0 0 0 9 3 12 0 11 10 3 0 0 0 15 0 0 0 1 4 4 0 0 15 5 4 0 0 4 11 11 3 0 0 0 2 0 3 0 1 0 -4.527 35 26 3 5 1 0 3.5 3 0 2 12 10 894.084 0 0 0 0 7 77 970 0 1 0 0 1 2 0 2 0 1 1 0 0 10 3 0 7 4 3 0 0 0 15 1 17 2 19 15 1 0 0 0 18 0 0 3 2 10 2 0 0 18 15 2 0 0 # 51.49 157.001 32.932 # ILE 197 Env_1s3b_14 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 8 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 1 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 59 0 0 0 0 0 0 0 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 4 1 4 0 0 0 0 0 0 0 0 0 4 1 0 0 0 4 1 0 0 0 0 1 0 0 0 1 2 0 0 0 0 0 -1.7591 4 1 1 2 0 0 0 0 1 2 2 2 70.088 0 0 0 0 -2 9 60 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 1 1 2 0 3 0 1 0 0 2 0 0 0 0 1 1 0 0 0 2 2 0 0 0 4 5 3 3 0 1 0 2 0 0 0 0 8 -0.716 26 20 4 2 0 0 0 3 1 2 3 12 742.2 1 0 1 1 3 22 334 0 1 0 1 0 0 0 3 0 0 3 2 0 0 0 0 3 3 2 0 0 8 3 4 8 11 6 8 3 1 8 3 0 0 0 3 1 3 16 0 0 3 7 16 0 0 1 15 4 1 0 0 0 2 0 1 0 1 3 -2.0518 28 20 3 4 1 0 1.5 1 0 2 4 8 750.931 0 0 0 0 3 37 412 0 2 0 3 1 0 0 0 0 0 1 4 0 0 0 4 3 4 3 0 0 3 1 9 15 3 5 11 6 3 3 4 0 0 0 7 3 2 12 0 0 4 12 12 0 0 2 11 5 3 0 0 0 3 2 2 0 0 8 -6.1861 36 23 4 9 0 0 2 3 0 4 5 9 893.518 0.999 0.999 0 0.999 -0.5 47 528 0 2 0 4 1 0 0 2 0 0 2 5 0 2 0 2 3 1 3 1 0 8 5 11 10 10 6 11 7 4 8 1 0 0 0 14 5 4 12 0 0 1 23 12 0 0 # 56.165 150.092 15.622 # GLY 55