# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2cnk # POINT_FILE ../DUDE/pocket_res_ptf_dude_crys/2cnk_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_2cnk_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 64 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 1 0 0 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 19 256 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 4 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 -0.2259 4 4 0 0 0 0 0 0 0 0 0 1 134.04 0 0 0 0 3 4 134 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 2 0 0 2 0 0 0 2 2 0 0 2 3 1 2 2 0 0 4 0 0 0 0 0 -2.5074 14 6 4 4 0 0 0 2.5 1.5 4 0 9 307.387 0.666 0 0.666 0.666 -7 20 375 0 10 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 10 4 0 0 4 10 0 0 0 0 0 0 2 3 0 9 0 0 0 5 9 0 0 3 4 1 5 1 0 2 1 0 1 0 0 0 -2.2991 18 8 8 2 0 0 1 5.5 0.5 1 0 11 420.119 0.333 0 0.333 0.333 -9.5 10 818 0 3 3 0 0 0 0 1 0 0 0 0 0 0 0 6 2 0 0 0 0 3 0 3 11 4 0 12 3 0 3 0 2 0 0 5 6 0 5 0 0 2 11 5 0 0 7 11 2 2 0 0 0 8 0 2 0 0 0 -2.5597 32 20 2 10 0 0 2 2 0 8 0 22 811.809 0 0 0 0 -9 17 1006 0 0 2 0 0 3 0 5 0 0 0 0 0 0 0 11 6 3 0 0 0 2 0 0 25 7 3 27 0 0 2 0 3 0 0 9 6 2 12 0 0 3 17 12 0 0 # 33.656 30.569 25.782 # ARG 207 Env_2cnk_1 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 5 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 0 0 1 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 15 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 0 0 3 0 0 0 0 3 0 0 0 1 0 0 1 0 0 0 3 0 0 0 0 0 -1.5221 5 1 1 3 0 0 0 1 0 3 0 5 82.129 0 0 0 0 -4 0 48 1 0 0 0 1 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 4 0 1 4 0 0 0 0 0 0 0 2 0 2 1 0 0 0 4 1 0 0 4 6 0 4 0 0 0 3 0 0 0 0 0 -1.4287 17 10 4 3 0 0 0 4 0 3 0 15 426.13 0 0 0 0 -5 5 343 0 0 0 0 3 2 0 3 0 3 0 0 0 0 0 2 0 0 0 0 0 4 3 0 7 7 3 10 0 0 4 0 0 0 0 8 0 2 7 0 0 0 10 7 0 0 5 12 0 2 0 0 0 5 0 2 0 0 0 -1.6389 26 17 2 7 0 0 2 2 0 5 0 13 676.797 0 0 0 0 -3 23 446 0 2 0 0 1 4 2 1 0 8 3 0 0 0 0 5 0 0 0 0 0 0 11 4 10 1 11 11 2 2 0 0 0 0 0 18 0 3 5 0 0 0 21 5 0 0 2 17 4 8 2 0 1 1 0 1 0 1 0 -7.2744 37 23 11 2 1 0 1.5 8.5 1.5 1 2 16 981.526 0.666 0 0.666 0.666 -3 50 726 0 6 0 0 1 1 2 0 0 8 7 0 0 2 0 5 1 0 1 0 0 3 17 8 9 3 17 9 6 2 3 0 2 0 0 19 0 4 12 0 0 2 23 12 0 0 # 30.531 31.092 34.929 # ALA 162 Env_2cnk_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 9 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 -0.3054 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 177 0 0 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 4 0 3 0 1 1 0 0 0 0 4 0 0 1 0 0 0 4 1 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 -1.2613 3 1 0 2 0 0 0 0 0 2 1 2 49.509 0 0 0 0 -1 3 110 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 2 0 0 1 2 0 0 0 1 0 0 0 0 2 0 0 1 0 0 0 2 1 0 0 5 10 2 4 0 0 0 3 0 0 0 0 0 -0.8798 24 17 4 3 0 0 0 4 0 3 2 17 640.78 0 0 0 0 -1.5 11 996 3 0 0 0 5 0 5 0 0 4 0 0 0 3 0 1 0 0 0 0 0 3 10 5 6 3 10 6 0 5 3 0 0 0 0 12 0 4 8 0 0 0 16 8 0 0 2 9 4 3 0 0 0 2 0 1 0 1 0 -2.2487 22 15 3 3 1 0 1.5 3 0 2 3 8 577.829 0.333 0.333 0 0.333 2.5 30 632 1 1 0 0 1 0 2 0 0 8 0 0 0 5 0 3 0 0 0 0 0 1 14 3 4 1 14 4 1 2 1 0 0 0 0 14 1 4 3 0 0 0 19 3 0 0 5 9 1 4 0 0 1 3 2 0 1 0 0 -3.9592 26 15 5 5 1 0 0 4 0 4 0 15 662.612 0.666 0.666 0 0.666 -2.5 23 961 1 3 0 0 0 2 5 3 0 4 0 0 1 2 1 2 0 0 0 0 0 2 9 8 4 5 9 7 3 5 2 0 0 0 0 11 5 3 7 0 0 0 19 7 0 0 # 30.422 35.082 35.182 # GLY 122 Env_2cnk_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 23 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 -0.0679 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 195 0 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 3 0 4 1 0 0 0 0 0 0 0 0 1 4 0 0 0 1 4 0 0 1 0 0 0 0 0 0 2 0 0 0 0 0 -0.56 3 1 0 2 0 0 0 0 0 2 0 3 56.498 0 0 0 0 -2 0 50 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 0 2 1 0 0 0 0 0 0 0 2 0 1 0 0 0 2 1 0 0 3 7 0 6 0 0 0 1 0 1 0 0 0 -2.2877 18 10 6 2 0 0 1 6 0 1 0 14 448.573 0 0 0 0 -6 6 1148 0 3 0 0 1 0 2 2 0 0 0 0 0 0 0 0 5 0 5 0 0 0 0 5 11 2 0 13 3 2 0 0 0 0 5 0 3 5 5 0 0 0 13 5 0 0 2 12 2 0 0 0 0 4 1 0 0 0 0 -1.9483 21 16 0 5 0 0 0 0 0 4.5 2 11 576.353 0.333 0.333 0 0.333 3 18 1552 0 1 0 0 3 0 10 1 0 0 0 0 0 0 1 0 1 0 4 0 0 0 1 11 8 1 1 9 1 10 0 0 0 0 5 4 4 1 7 0 0 0 14 7 0 0 8 6 5 3 0 0 0 4 3 1 0 1 0 -3.0193 31 19 3 8 1 0 1.5 3 0 5.5 6 12 718.555 1.998 1.998 0 1.998 -3 60 2126 1 1 0 0 2 0 12 1 0 0 0 0 0 0 2 1 1 0 10 0 0 0 3 13 14 1 3 15 1 12 0 0 0 0 5 7 5 1 13 0 0 0 18 13 0 0 # 37.568 36.044 39.019 # GLY 165 Env_2cnk_4 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 2 106 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 0 0 1 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 3 318 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 0 0 3 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 0 318 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 0 0 3 0 0 0 0 3 0 0 0 1 2 0 1 0 0 0 1 0 0 0 0 0 -0.4725 5 3 1 1 0 0 0 1 0 1 0 5 126.161 0 0 0 0 -2 0 273 0 0 0 0 0 0 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 3 0 3 0 2 0 0 0 0 2 0 0 0 3 0 0 0 2 3 0 0 2 2 3 0 0 0 0 1 0 1 0 0 0 -0.8556 9 7 0 2 0 0 1 0 0 1 4 2 229.323 0 0 0 0 3 25 636 0 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 3 5 1 0 6 0 3 0 0 0 0 3 0 1 0 5 0 0 0 4 5 0 0 4 2 2 4 0 0 0 2 1 0 0 0 0 -1.1365 15 8 4 3 0 0 0 4 0 2.5 2 11 328.902 0.666 0.666 0 0.666 -5 12 816 0 2 0 0 0 0 3 3 0 0 1 0 0 0 0 0 0 0 6 0 0 0 1 5 6 3 1 9 2 3 0 0 0 0 6 0 2 0 7 0 0 0 8 7 0 0 # 41.082 39.352 38.059 # THR 166 Env_2cnk_5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 -0.5471 6 6 0 0 0 0 0 0 0 0 6 0 147.242 0 0 0 0 5 27 258 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 6 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 6 0 0 0 1 2 0 0 0 1 0 0 0 0 0 0 -0.4353 4 3 1 0 0 0 0 0 1 0 3 0 101.189 0 0 0 0 0 10 134 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 3 0 0 0 0 0 0 4 0 3 1 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 4 0 0 0 0 0 1 0 1 0 0 0 -1.289 6 4 0 2 0 0 1 0 0 1 0 3 162.691 0 0 0 0 0 4 184 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 2 0 2 0 0 0 0 1 1 4 0 3 2 1 0 0 1 0 0 0 0 0 0 5 0 0 1 0 5 0 0 5 6 8 5 0 0 0 2 0 0 0 0 0 -1.3798 26 19 5 2 0 0 0 5 0 2 8 14 656.625 0 0 0 0 4 38 1075 0 1 0 0 0 0 0 0 0 0 1 5 0 7 0 4 0 6 2 0 0 0 8 6 12 0 14 6 6 0 0 6 4 0 0 1 0 0 15 0 0 10 1 15 0 0 7 12 8 6 0 0 1 10 0 1 0 0 0 -6.6112 45 27 7 11 0 0 1 6 1 10 9 28 1080.41 0 0 0 0 -7 53 2539 2 3 0 0 0 1 2 0 0 0 3 6 0 6 0 6 1 4 7 0 0 4 11 11 19 4 15 15 9 2 4 4 3 0 4 3 0 6 25 0 0 7 13 25 0 0 # 42.6442 30.388 29.5775 # TRP 206 Env_2cnk_6 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 0 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 1 0 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0.1868 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 0 1 0 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 2 0 0 0 0 0 0 2 0 0 0 3 4 0 3 0 0 0 1 2 0 0 0 0 -1.8877 13 7 3 3 0 0 0 3 0 2 0 5 301.179 0.999 0.999 0 0.999 -3 20 15 0 0 0 3 0 3 0 0 0 4 0 0 0 0 0 3 0 0 0 0 0 0 4 3 6 0 4 6 0 3 0 0 7 0 0 6 0 0 0 0 0 7 6 0 0 0 4 7 0 3 0 0 0 3 0 0 0 0 0 -1.0864 17 11 3 3 0 0 0 3 0 3 0 11 445.503 0 0 0 0 -1 12 157 0 0 0 1 0 3 0 2 0 3 0 0 0 4 0 0 0 4 0 0 0 0 7 1 7 2 11 5 0 1 0 0 12 0 0 4 0 0 1 0 0 12 4 1 0 0 1 13 2 0 1 0 0 3 0 0 0 0 0 -2.526 20 16 1 3 0 0 0 0.5 0.5 3 2 9 575.151 0.333 0 0.333 0.333 4 25 492 0 5 0 1 0 4 0 1 0 1 1 0 0 3 0 1 0 3 0 0 0 0 5 6 8 1 8 6 5 1 0 0 10 0 0 7 0 1 2 0 0 10 8 2 0 0 7 7 5 10 1 0 0 5 0 3 0 0 0 -6.7932 38 19 11 8 0 0 3 10 1 5 4 22 868.404 0.333 0 0.333 0.333 -12 47 722 1 4 1 5 0 7 0 3 0 0 4 0 0 2 0 4 3 4 0 0 0 0 7 9 19 3 11 18 4 5 0 0 15 0 0 11 4 3 5 0 0 15 18 5 0 0 # 32.894 23.619 29.752 # SER 213 Env_2cnk_7 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 12 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 3 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0644 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 4 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 1 0 0 0 0 0 0 1 0 0 0 1 3 0 0 0 0 0 0 0 2 0 0 0 -0.5069 6 4 0 2 0 0 2 0 0 0 0 2 168.354 0 0 0 0 -1 6 28 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 6 0 0 6 0 0 0 0 0 0 0 5 0 0 1 0 0 0 5 1 0 0 0 5 0 2 0 0 0 2 0 1 0 0 0 -2.2236 10 5 2 3 0 0 1 2 0 2 0 6 235.969 0 0 0 0 -4 5 82 2 0 0 0 0 2 0 0 0 0 0 0 0 1 0 4 0 1 0 0 0 0 3 0 7 0 4 6 0 0 0 0 1 0 0 3 0 4 2 0 0 1 7 2 0 0 7 13 2 8 2 0 0 5 1 0 0 0 0 -5.6186 38 22 10 6 0 0 0 8.5 1.5 5.5 2 23 957.303 0.666 0.333 0.333 0.666 -7 42 640 3 7 0 1 0 2 0 0 0 6 1 0 0 5 0 9 0 4 0 0 0 0 15 8 15 0 19 11 7 1 0 0 11 0 0 12 0 6 9 0 0 11 18 9 0 0 8 12 6 4 2 0 0 6 1 0 0 0 0 -1.121 39 26 6 7 0 0 0 4.5 1.5 6.5 4 21 970.295 1.665 0.666 0.999 1.665 -3 52 414 0 5 0 2 2 1 0 2 0 3 5 0 0 4 0 5 3 6 1 0 0 0 12 7 18 2 18 14 5 2 0 0 13 0 0 11 0 7 8 0 0 13 18 8 0 0 # 33.3973 26.4813 31.9973 # GLN 161 Env_2cnk_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 16 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 32 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 1 0 3 0 0 0 2 0 1 0 0 0 -2.0989 9 3 3 3 0 0 1 3 0 2 0 4 180.447 0 0 0 0 -6 14 105 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 5 0 1 0 0 0 0 0 0 9 0 1 8 0 0 0 0 0 0 0 3 0 2 4 0 0 0 5 4 0 0 6 7 0 4 0 0 0 5 0 0 0 0 0 -1.351 22 13 4 5 0 0 0 4 0 5 0 16 547.009 0 0 0 0 -7 16 340 4 0 0 0 1 6 0 0 0 0 0 0 0 0 0 3 3 3 2 0 0 0 4 0 18 0 7 15 0 0 0 0 0 0 0 3 0 10 9 0 0 0 13 9 0 0 0 9 1 4 0 0 0 2 0 1 0 1 0 -3.8033 18 10 4 3 1 0 1.5 4 0 2 1 9 445.383 0 0 0 0 -2 13 278 1 1 0 0 2 4 0 0 0 1 0 0 0 3 0 2 2 1 1 0 0 0 5 1 12 0 6 11 1 0 0 0 3 0 0 6 0 4 5 0 0 3 10 5 0 0 7 11 9 4 1 0 1 5 0 1 0 0 0 -3.3489 39 27 6 6 0 0 1 4.5 1.5 5 10 20 994.284 0.333 0 0.333 0.333 1 49 922 1 6 0 0 3 1 0 0 0 1 0 0 0 4 0 4 2 11 6 0 0 0 6 6 27 0 17 16 6 0 0 0 11 0 2 8 0 3 15 0 0 11 13 15 0 0 # 35.652 27.795 33.664 # SER 205 Env_2cnk_9 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 20 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 0 1 0 0 0 0 1 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 80 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 0 4 0 0 0 0 4 0 0 0 3 1 0 0 0 0 0 1 0 0 0 0 -0.7884 5 4 0 1 0 0 0 0 0 0.5 1 1 135.246 0.333 0.333 0 0.333 2 10 275 0 1 0 0 0 0 1 0 0 0 0 0 0 0 2 0 0 0 1 0 0 0 2 2 1 0 2 1 1 1 0 0 0 0 0 1 3 0 1 0 0 0 4 1 0 0 3 4 4 1 0 0 0 2 1 0 0 1 0 -1.6484 16 11 1 3 1 0 0.5 1 0 2.5 5 4 392.575 0.666 0.666 0 0.666 2 32 648 2 1 0 0 1 0 2 0 0 0 0 0 0 0 3 0 1 0 6 0 0 0 5 3 8 0 5 8 1 2 0 0 0 0 0 7 5 1 3 0 0 0 13 3 0 0 2 8 0 3 0 0 0 3 0 1 0 0 0 -3.2923 17 10 3 4 0 0 1 3 0 3 0 12 429.15 0 0 0 0 -4 13 485 2 2 0 0 2 0 1 1 0 0 0 0 0 0 2 0 4 0 2 1 0 0 5 3 8 1 5 9 2 1 0 0 0 0 0 5 4 4 4 0 0 0 13 4 0 0 7 9 0 7 0 0 0 5 0 1 0 0 0 -2.0795 29 16 7 6 0 0 1 7 0 5 0 23 709.746 0 0 0 0 -9 9 1038 2 2 0 0 5 0 5 4 0 0 1 0 0 0 0 2 2 0 5 1 0 0 4 7 14 4 4 18 2 5 0 0 1 0 2 8 8 5 5 0 0 1 23 5 0 0 # 34.091 29.295 43.179 # ARG 164 Env_2cnk_10 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 32 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 32 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 2 0 0 0 0 0 0 0 0 0 -0.81 3 1 2 0 0 0 0 2 0 0 0 3 61.784 0 0 0 0 -2 0 80 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 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 4 4 3 1 0 0 0 5 0 0 0 0 0 -1.0538 17 11 1 5 0 0 0 1 0 5 3 12 413.308 0 0 0 0 -2 11 624 1 1 0 0 2 0 0 2 0 0 0 0 0 0 0 4 0 0 7 0 0 0 1 1 13 2 1 15 1 0 0 0 0 0 1 1 0 1 14 0 0 0 3 14 0 0 4 3 1 4 0 0 0 2 0 1 0 0 0 -1.7843 15 8 4 3 0 0 1 4 0 2 2 12 344.853 0 0 0 0 -6 10 475 2 1 0 0 0 0 0 5 0 0 0 0 0 0 0 1 0 1 5 0 0 0 2 1 7 5 3 11 1 0 0 0 0 0 1 3 0 2 9 0 0 0 6 9 0 0 2 14 3 4 0 0 1 2 0 2 0 0 0 -3.619 28 19 5 4 0 0 2 4 0 2 1 13 757.688 0 0 0 0 -0.5 27 1259 2 3 0 0 0 1 3 1 0 0 0 0 0 0 0 2 5 1 3 0 0 7 2 6 12 8 3 12 3 3 7 0 0 0 1 4 0 9 14 0 0 0 14 14 0 0 # 36.074 33.622 33.412 # CYS 163 Env_2cnk_11 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 3 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 0 1 0 0 0 0 1 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 12 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 0 4 0 0 0 0 4 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 -0.4021 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 3 12 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 2 2 0 0 2 2 0 0 0 0 0 0 0 0 2 2 0 0 0 2 2 0 0 2 7 1 1 2 0 0 4 0 1 0 0 0 -2.7973 18 10 3 5 0 0 1 1.5 1.5 4 0 9 444.447 0.666 0 0.666 0.666 -6 25 315 0 5 1 0 0 1 0 0 0 0 4 0 0 0 0 3 3 0 0 0 0 1 4 5 8 1 4 8 5 0 1 0 3 0 0 9 0 3 3 0 0 3 12 3 0 0 4 10 5 5 1 0 2 3 0 1 0 0 0 -4.2122 31 19 8 4 0 0 1 5.5 0.5 3 2 13 784.808 0.333 0 0.333 0.333 -2.5 38 565 0 5 5 0 0 5 0 0 0 0 3 2 0 2 0 1 2 0 0 0 0 6 5 7 13 6 5 13 7 0 6 0 2 0 0 11 0 1 17 0 0 2 12 17 0 0 11 11 2 4 0 0 0 9 1 1 0 0 0 -2.3999 39 24 4 11 0 0 1 4 0 9.5 2 23 953.049 0.666 0.666 0 0.666 -6.5 32 992 3 1 4 4 0 2 0 2 0 1 3 4 0 2 0 7 3 0 0 0 0 3 9 9 16 5 9 18 5 4 3 0 6 0 0 12 5 3 13 0 0 6 20 13 0 0 # 29.605 29.971 28.172 # ARG 64 Env_2cnk_12 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 1 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 1 0 0 0 0 1 0 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 2 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 2 0 0 0 0 2 0 0 0 1 1 0 4 0 0 0 3 0 1 0 0 0 -3.7368 10 2 4 4 0 0 1 4 0 3 0 7 185.499 0 0 0 0 -8 7 60 2 0 0 0 0 1 0 0 0 1 0 0 0 0 0 5 1 0 0 0 0 0 3 0 7 0 3 7 0 0 0 0 0 0 0 2 0 6 2 0 0 0 8 2 0 0 5 8 2 2 0 0 0 2 0 0 0 0 0 0.4883 19 15 2 2 0 0 0 2 0 2 2 10 531.353 0 0 0 0 1 21 138 2 0 0 0 0 7 0 0 0 1 0 0 0 3 0 1 3 0 2 0 0 0 6 0 13 0 6 13 0 0 0 0 3 0 0 9 0 5 2 0 0 3 14 2 0 0 4 12 4 3 0 0 0 4 0 1 0 0 0 -2.7929 28 20 3 5 0 0 1 3 0 4 4 13 734.857 0 0 0 0 3 39 438 1 2 0 0 2 5 0 0 0 3 0 0 0 5 0 2 3 1 4 0 0 0 9 2 17 0 10 16 2 0 0 0 5 0 0 7 0 4 12 0 0 5 11 12 0 0 6 10 2 8 2 0 0 7 0 1 0 1 0 -6.1123 37 18 10 8 1 0 1.5 8.5 1.5 7 2 23 865.5 0.333 0 0.333 0.333 -11 31 745 4 4 0 0 5 1 0 0 0 6 0 0 0 2 5 3 0 3 4 0 0 0 17 4 16 0 20 13 4 0 0 0 5 0 1 9 0 0 22 0 0 5 10 22 0 0 # 34.314 26.722 35.718 # SER 198 Env_2cnk_13 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 1 0 0 0 0 1 0 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 2 0 0 0 0 2 0 0 0 2 1 2 2 0 0 0 2 0 0 0 0 0 -1.254 9 5 2 2 0 0 0 2 0 2 2 6 204.834 0 0 0 0 -1 10 196 0 0 1 0 0 0 0 0 0 0 0 0 0 4 0 2 0 0 0 0 0 2 4 0 3 2 4 3 0 0 2 0 0 0 0 2 0 2 5 0 0 0 4 5 0 0 3 8 2 3 0 0 0 3 0 0 0 0 0 -1.9907 19 13 3 3 0 0 0 3 0 3 2 10 495.906 0 0 0 0 -0.5 21 276 0 1 4 0 0 0 0 1 0 2 2 0 0 5 0 1 0 0 0 0 0 3 9 1 5 4 9 6 1 0 3 0 0 0 0 8 0 1 10 0 0 0 9 10 0 0 3 6 7 4 2 0 1 3 0 0 0 0 0 -2.9812 26 16 7 3 0 0 0 4.5 1.5 3 4 13 633.564 0.666 0 0.666 0.666 -3 31 275 0 4 3 0 0 0 0 5 0 4 2 0 0 4 0 0 1 0 0 0 0 3 10 4 4 8 10 9 4 0 3 0 0 0 0 13 1 0 12 0 0 0 14 12 0 0 4 16 3 2 1 0 1 6 0 0 1 0 0 -4.5521 34 23 4 6 1 0 0 2.5 0.5 6 2 17 919.077 0.333 0 0.333 0.333 3.5 35 510 2 2 3 0 0 1 0 1 0 6 6 3 2 3 0 0 3 0 0 0 0 2 19 5 7 3 19 8 5 0 2 0 1 0 0 17 3 2 11 0 0 1 22 11 0 0 # 26.311 33.552 30.734 # SER 120 Env_2cnk_14 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 11 261 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 0 3 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0136 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 87 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 0 1 0 0 0 0 0 1 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 -1.2964 4 2 2 0 0 0 0 0.5 1.5 0 0 1 112.028 0.333 0 0.333 0.333 -1 11 214 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 2 2 0 0 0 0 0 0 2 0 2 0 0 0 2 2 0 0 3 6 1 3 0 0 0 1 0 0 0 0 0 0.5206 14 10 3 1 0 0 0 3 0 1 0 9 376.074 0.333 0 0.333 0.333 -1 12 566 0 7 0 0 0 0 2 2 0 0 0 0 0 0 3 0 0 0 0 0 0 0 3 9 0 2 3 2 7 2 0 0 0 0 0 0 7 0 7 0 0 0 7 7 0 0 2 4 1 3 1 0 0 4 0 0 0 0 0 -3.3 15 7 4 4 0 0 0 3.5 0.5 4 1 11 340.397 0.333 0 0.333 0.333 -6 13 759 2 2 0 0 0 0 3 3 0 0 0 0 0 0 4 0 0 0 1 0 0 0 6 5 1 3 6 4 2 3 0 0 0 0 0 3 7 0 5 0 0 0 10 5 0 0 4 3 4 2 0 0 0 4 0 1 0 0 0 -2.56 18 11 2 5 0 0 1 2 0 4 5 11 413.188 0 0 0 0 -2 26 614 0 0 0 0 2 0 1 4 0 1 1 0 0 0 0 0 1 0 8 0 0 0 2 1 11 4 2 15 0 1 0 0 1 0 2 8 3 1 3 0 0 1 14 3 0 0 # 33.9923 33.0997 43.858 # GLU 124 Env_2cnk_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 11 333 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 2 111 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 1 0 0 0 0 0 0 0 0 0 0 0 0.056 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 111 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 1 2 1 0 0 0 0 0 0 0 0 0 -0.754 4 3 1 0 0 0 0 1 0 0 2 2 100.689 0 0 0 0 1 9 288 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 2 0 0 2 0 0 2 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 2 4 2 1 0 0 0 2 0 0 0 0 0 -1.1093 11 8 1 2 0 0 0 1 0 2 2 6 291.227 0 0 0 0 2 13 516 0 0 0 0 0 0 3 3 0 3 0 0 0 2 0 0 0 0 0 0 0 0 5 3 0 3 5 3 0 3 0 0 0 0 0 10 1 0 0 0 0 0 11 0 0 0 3 8 2 2 0 0 0 4 0 0 0 0 0 -1.7687 19 13 2 4 0 0 0 2 0 4 2 12 489.96 0 0 0 0 0 12 863 0 1 0 0 2 0 4 5 0 3 0 0 0 2 1 0 1 0 0 0 0 0 6 5 3 5 6 8 1 4 0 0 0 0 0 7 4 1 7 0 0 0 12 7 0 0 # 32.641 40.492 37.2877 # GLU 123