# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2i78 # POINT_FILE ../DUDE/pocket_res_ptf_tian/2i78_KIQ_B_901.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_2i78_0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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_2i78_1 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 5 142 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 19 568 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 1 0 0 0 0 -0.7797 2 1 0 1 0 0 0 0 0 0.5 0 0 47.647 0.333 0.333 0 0.333 0 6 162 0 1 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 1 1 0 0 1 0 0 0 0 1 0 0 0 1 1 0 0 0 1 1 0 1 0 0 0 0 1 0 0 0 0 -0.9329 4 2 1 1 0 0 0 1 0 0.5 0 0 92.655 0.666 0.666 0 0.666 -1 11 186 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 0 0 1 1 2 0 0 2 0 0 0 0 2 0 0 0 2 2 0 0 0 1 2 2 1 0 0 1 0 0 0 0 0 0 -0.2218 7 5 2 0 0 0 0 1.5 0.5 0 3 2 175.357 0 0 0 0.5 -1 15 459 0 2 1 0 0 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 4 0 0 1 5 1 0 0 1 0 0 0 1 5 0 0 0 1 6 0 0 0 4 4 4 2 0 0 3 3 0 2 0 0 0 -2.5083 22 12 5 5 0 0 2 3.5 1.5 3 7 9 508.203 0 0 0 1.5 -7 35 874 0 2 2 0 0 0 4 1 10 0 0 0 0 0 0 1 0 1 1 0 0 0 0 6 15 1 1 5 12 4 0 0 4 0 0 0 8 10 0 0 0 4 18 0 0 0 # -15.04 -1.6 63.34 # ARG Env_2i78_2 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 67 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 1 134 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 0 0 1 0 0 0 0 0 0 0 0 0 0.1816 2 1 1 0 0 0 0 1 0 0 0 2 47.647 0 0 0 0 -1 0 134 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 0 1 0 0 1 5 0 0 0 0 0 -2.3706 10 3 2 5 0 0 0 1.5 0.5 5 1 9 192.716 0 0 0 0.5 -7 4 263 1 0 0 0 0 0 2 0 1 0 0 0 0 3 0 1 0 0 0 2 0 0 6 2 2 0 6 1 1 2 0 0 2 0 0 0 5 3 0 0 0 2 8 0 0 0 3 4 4 3 2 0 1 1 0 0 0 0 0 -1.2923 18 11 6 1 0 0 0 4 2 1 4 11 441.82 0.666 0 0.666 1.166 -7 27 695 1 3 0 0 0 0 7 0 4 0 0 0 0 1 0 0 0 0 0 2 0 0 4 10 4 0 4 0 7 7 0 0 7 0 0 0 3 8 0 0 0 7 11 0 0 0 3 12 2 1 2 0 0 2 3 0 0 0 0 -3.089 25 17 3 5 0 0 0 1.5 1.5 3.5 2 6 655.421 1.665 1.332 0.333 1.665 3 47 1117 3 6 0 0 0 0 9 0 0 0 0 0 0 4 0 0 0 0 2 1 0 0 8 15 2 0 8 2 6 9 0 0 11 0 0 0 3 11 0 0 0 11 14 0 0 0 # -20.79 -6.2 66.3 # SER Env_2i78_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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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_2i78_4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 6 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 6 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 1 2 0 0 0 1 0 0 0 0 0 0 -0.9662 4 3 1 0 0 0 0 0 1 0 3 0 101.189 0 0 0 0 1 11 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 1 0 0 1 0 3 0 4 0 0 0 0 3 0 0 0 0 0 0 1 0 0 3 0 1 0 0 0 6 3 0 0 0 0 0 0 0 0 0 0 -1.3672 9 9 0 0 0 0 0 0 0 0 3 1 280.623 0 0 0 0 8 20 53 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 2 3 2 0 0 3 0 6 0 5 4 0 0 0 2 4 0 0 0 1 0 2 0 0 6 1 2 0 0 5 9 9 1 0 0 0 2 0 4 1 0 0 -3.0889 31 23 1 6 1 0 4 1 0 2 12 7 783.484 0 0 0 0 9 75 179 0 2 0 0 0 0 0 0 0 0 3 0 2 0 0 0 3 3 17 1 0 0 6 2 23 0 9 20 2 0 0 3 19 0 0 0 3 3 3 0 0 22 6 3 0 0 7 10 9 9 0 0 0 7 1 1 0 0 0 -7.8054 44 26 9 9 0 0 1 9 0 7.5 10 25 1038.76 0.333 0.333 0 0.333 -5 58 316 0 2 0 0 0 2 2 1 0 0 4 0 2 0 0 7 3 0 18 3 0 0 9 4 30 1 9 31 2 2 0 1 19 0 0 0 5 10 9 0 0 20 15 9 0 0 # -10.6417 -11.3333 53.585 # TRP Env_2i78_5 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 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 3 0 1 0 0 0 0 0 0 0 0 0 -0.5442 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 4 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 5 0 0 0 5 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 5 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 0 -0.2229 4 2 1 1 0 0 0 1 0 1 1 3 85.662 0 0 0 0 -2 4 24 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 3 0 1 1 2 0 0 0 0 0 0 0 1 2 1 0 0 0 3 1 0 0 3 4 4 2 0 0 3 5 2 0 0 0 0 -5.5666 23 11 5 7 0 0 0 3.5 1.5 6 7 9 501.386 0.999 0.999 0 2.499 -8 42 110 3 0 3 3 0 1 0 0 7 0 0 0 0 0 2 0 0 0 2 2 0 0 7 3 13 0 7 6 7 3 0 0 1 0 0 2 3 8 9 0 0 1 13 9 0 0 4 11 3 3 0 0 1 2 0 2 0 0 0 -2.2701 26 18 4 4 0 0 2 3.5 0.5 2 5 9 651.328 0 0 0 0.5 0 41 198 1 0 3 2 0 4 0 0 6 0 0 0 0 1 2 2 0 0 3 2 0 0 6 2 18 0 6 12 6 2 0 0 4 0 0 2 5 7 8 0 0 4 14 8 0 0 7 11 6 9 0 0 2 6 0 1 0 0 0 -5.5887 42 24 11 7 0 0 1 10 1 6 9 25 995.853 0 0 0 1 -12 47 346 1 0 1 5 0 3 0 0 9 0 0 0 0 1 3 6 0 0 8 5 0 0 10 5 27 0 10 18 9 5 0 1 5 0 0 3 8 9 16 0 0 6 20 16 0 0 # -6.73 -4.49 58.67 # VAL Env_2i78_6 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 12 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 1 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 48 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 4 0 0 0 0 0 0 0 0 4 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 -1.0868 3 1 0 2 0 0 1 0 0 1 0 1 62.161 0 0 0 0 -1 8 88 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 1 1 0 1 1 1 0 0 0 2 0 0 0 0 1 0 0 0 2 1 0 0 0 3 4 3 1 0 0 0 4 0 0 0 0 0 -1.8134 15 10 1 4 0 0 0 1 0 4 4 8 361.315 0 0 0 0 0 21 434 0 1 0 0 0 1 1 0 0 0 0 0 0 4 0 0 0 0 6 2 0 0 6 2 7 0 6 7 1 1 0 0 10 0 0 0 1 4 0 0 0 10 5 0 0 0 6 9 10 4 0 0 1 1 1 0 0 0 0 -1.619 32 25 5 2 0 0 0 4 1 1.5 11 12 837.222 0.666 0.666 0 0.666 7 54 805 0 8 0 0 0 2 5 0 0 0 0 0 0 3 0 0 0 2 9 3 0 0 6 13 13 0 8 11 8 5 0 0 20 0 0 0 2 8 2 0 0 20 10 2 0 0 4 11 8 4 0 0 0 3 2 1 0 0 0 -5.0254 33 23 4 6 0 0 1 4 0 4 9 12 820.522 0.666 0.666 0 0.666 6 64 579 0 3 0 1 0 2 3 1 0 0 1 0 0 3 1 0 3 5 5 5 0 0 10 7 15 1 15 11 3 4 0 0 14 0 1 1 5 7 5 0 0 14 14 5 0 0 # -19.19 -13.03 60.64 # ARG Env_2i78_7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 30 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 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 3 0 0 0 1 1 0 0 0 0 0 -1.4489 5 3 1 1 0 0 0 0 1 1 4 1 105.694 0 0 0 0 0 13 20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 1 0 0 0 0 0 5 0 4 1 0 0 0 0 4 0 0 0 0 0 1 0 0 4 0 1 0 0 2 6 2 1 0 0 0 1 2 0 0 0 0 -1.9079 14 10 1 3 0 0 0 1 0 2 3 6 356.154 0.666 0.666 0 0.666 1 20 79 0 0 1 3 0 0 2 0 0 0 0 0 0 0 0 0 0 3 3 2 0 0 2 5 7 0 5 4 0 5 0 0 7 0 1 0 0 3 3 0 0 7 4 3 0 0 8 9 2 4 0 0 1 3 3 1 0 0 0 -2.6266 31 19 5 7 0 0 1 4.5 0.5 4.5 3 9 739.526 2.331 2.331 0 2.831 -2 58 225 0 0 7 5 0 0 8 0 1 0 0 0 0 0 0 0 0 1 4 5 0 0 5 13 13 0 6 11 1 13 0 0 13 0 2 1 0 10 5 0 0 13 13 5 0 0 6 11 10 8 0 0 1 3 3 1 0 0 0 -6.2451 43 27 9 7 0 0 1 8 1 4.5 12 21 1031.85 0.999 0.999 0 0.999 -5 66 585 0 0 0 8 0 0 10 0 2 0 0 0 0 0 4 0 0 7 9 3 0 0 7 18 18 0 14 9 2 18 0 0 12 0 3 3 0 16 9 0 0 12 22 9 0 0 # -9.80833 -7.88333 66.6633 # TRP Env_2i78_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_2i78_9 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 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 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.3819 2 1 1 0 0 0 0 1 0 0 0 2 47.647 0 0 0 0 -1 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 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 2 0 1 1 0 0 1 2 1 0 0 0 0 -1.3773 8 3 2 3 0 0 0 1.5 0.5 2.5 2 5 158.94 0.333 0.333 0 0.833 -5 10 31 2 0 0 1 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 2 0 0 5 1 2 0 5 0 2 1 0 0 0 0 0 2 2 2 2 0 0 0 6 2 0 0 1 6 5 1 0 0 4 2 0 0 0 0 0 -2.217 19 12 5 2 0 0 0 2.5 2.5 2 9 6 455.359 0.333 0.333 0 1.833 -5 35 184 0 0 0 1 0 0 0 0 9 1 0 0 0 0 2 1 0 2 0 3 0 0 6 1 12 0 8 1 9 1 0 0 0 0 0 11 4 1 3 0 0 0 16 3 0 0 6 16 5 4 0 0 0 3 1 1 0 0 0 -2.1004 36 27 4 5 0 0 1 4 0 3.5 5 17 974.323 0.333 0.333 0 0.333 5 40 581 0 0 0 3 0 0 0 1 8 3 0 0 0 0 4 3 0 7 0 7 0 0 14 3 18 1 21 4 8 3 0 0 0 0 0 14 8 5 9 0 0 0 27 9 0 0 5 11 2 8 0 0 0 7 0 1 0 0 0 -5.7332 34 18 8 8 0 0 1 8 0 7 2 26 799.913 0 0 0 0 -10 19 417 2 0 0 2 0 0 0 7 4 6 0 0 0 0 0 4 0 4 1 4 0 0 12 2 13 7 16 12 4 2 0 0 4 0 0 16 4 1 9 0 0 4 21 9 0 0 # -6.63 0 57.09 # ALA Env_2i78_10 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 54 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 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 0.0136 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 18 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 4 0 0 0 0 0 0 2 0 0 0 0 -1.5087 6 4 0 2 0 0 0 0 0 1 0 1 162.314 0.666 0.666 0 0.666 1 10 77 0 0 0 2 0 0 3 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 5 1 0 0 1 0 5 0 0 4 0 2 0 0 0 0 0 0 4 2 0 0 0 5 3 3 2 0 0 0 2 1 1 0 0 0 -0.8031 17 11 2 4 0 0 1 2 0 2.5 4 8 385.464 0.999 0.999 0 0.999 -2 30 312 0 0 0 1 0 0 9 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0 0 10 7 0 0 7 0 10 0 0 13 0 1 0 0 3 0 0 0 13 4 0 0 0 2 5 7 4 2 0 0 3 1 0 0 0 0 -5.651 24 14 6 4 0 0 0 5 1 3.5 6 9 568.3 1.332 0.333 0.999 1.332 0 55 223 0 3 1 1 0 0 2 0 0 0 0 0 0 0 0 0 1 2 5 9 0 0 9 6 9 0 11 7 3 3 0 0 19 0 1 0 1 3 0 0 0 19 5 0 0 0 6 5 7 3 2 0 0 4 0 2 0 0 0 -4.2932 29 18 5 6 0 0 2 3.5 1.5 4 8 13 688.57 0.333 0 0.333 0.333 -3 56 303 0 2 2 4 0 0 2 0 0 0 0 0 0 0 0 2 1 5 6 5 0 0 5 8 16 0 10 11 2 6 0 0 18 0 4 0 1 5 1 0 0 18 10 1 0 0 # -14.5567 -9.66333 62.8533 # GLU Env_2i78_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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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_2i78_12 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 8 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 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 32 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 4 0 0 0 0 0 4 0 0 0 2 0 0 1 0 0 0 2 0 0 0 0 0 -0.4317 5 2 1 2 0 0 0 1 0 2 0 5 104.145 0 0 0 0 -3 0 72 0 0 0 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 3 2 0 0 3 0 0 2 0 0 2 0 0 0 3 0 0 0 0 2 3 0 0 0 1 3 6 0 0 0 0 2 0 0 0 0 0 -1.2121 12 10 0 2 0 0 0 0 0 2 6 6 304.27 0 0 0 0 4 18 98 0 0 0 0 0 0 1 0 0 0 1 0 0 4 0 0 0 0 6 0 0 0 5 1 6 0 5 6 0 1 0 0 7 0 0 1 4 0 0 0 0 7 5 0 0 0 6 12 7 5 1 0 0 2 0 0 0 0 0 -2.0791 33 25 6 2 0 0 0 5 1 2 8 13 884.206 0 0 0 0 8 49 581 0 4 0 0 5 0 4 0 0 0 1 0 0 5 0 1 0 0 8 5 0 0 11 8 14 0 11 14 4 4 0 0 14 0 0 9 5 5 0 0 0 14 19 0 0 0 3 13 5 3 3 0 0 4 1 2 0 1 0 -8.9611 35 21 6 7 1 0 2.5 4.5 1.5 4.5 5 17 886.538 1.665 0.333 1.332 1.665 -5 68 707 0 5 0 1 1 0 8 0 0 0 3 0 0 3 0 2 1 0 7 4 0 0 10 14 11 0 10 11 5 9 0 0 14 0 0 12 1 7 1 0 0 14 20 1 0 0 # -19.24 -12.98 68.22 # VAL Env_2i78_13 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 12 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 0 0 0 0 0 3 0 0 0 0 3 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 4 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 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 -0.7652 4 2 0 2 0 0 1 0 0 0.5 0 2 98.314 0.333 0.333 0 0.333 -2 10 46 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 3 0 0 3 0 1 0 0 1 0 0 0 0 3 0 0 0 1 3 0 0 0 2 3 5 2 1 0 2 1 1 0 0 0 0 -3.7293 17 10 5 2 0 0 0 3.5 1.5 1.5 8 3 381.401 0.999 0.666 0.333 1.999 -1 50 335 0 1 2 0 0 0 3 0 5 0 0 0 0 0 0 0 0 2 2 2 0 0 2 4 11 0 4 4 6 3 0 0 5 0 0 0 5 7 0 0 0 5 12 0 0 0 4 3 7 0 1 0 1 1 4 1 0 0 0 -1.9814 22 14 2 6 0 0 1 0 2 3 7 4 508.828 2.331 1.998 0.333 2.331 -2 62 432 0 2 0 7 0 0 2 0 1 0 0 0 0 0 0 0 0 3 4 3 0 0 3 11 8 0 6 4 3 9 0 0 5 0 1 0 1 11 4 0 0 5 13 4 0 0 6 10 7 3 1 0 1 3 3 1 0 0 0 -4.9096 35 23 5 7 0 0 1 4 1 4.5 9 12 852.599 1.998 1.665 0.333 2.498 -1 64 725 0 3 0 10 0 0 6 0 6 0 0 0 0 0 0 1 0 3 4 2 0 0 2 19 14 0 5 5 9 16 0 0 9 0 2 0 4 11 9 0 0 9 17 9 0 0 # -10.46 -4.80333 62.6167 # ASN Env_2i78_14 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.2359 2 1 1 0 0 0 0 1 0 0 0 1 47.647 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 1 3 0 0 0 0 0 0 0 0 0 0 0 0.5753 4 4 0 0 0 0 0 0 0 0 0 2 134.04 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 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 1 1 0 1 0 0 0 2 0 0 0 0 0 -0.9274 5 2 1 2 0 0 0 1 0 2 0 5 104.145 0 0 0 0 -3 0 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 5 0 0 0 5 0 0 0 0 0 0 0 0 0 0 3 2 0 0 0 3 2 0 0 4 7 1 3 0 0 1 5 0 1 0 0 0 -3.8951 22 12 4 6 0 0 1 3.5 0.5 5 2 15 532.748 0 0 0 0.5 -6 17 50 5 0 0 0 0 0 0 3 2 1 1 0 0 0 0 2 0 0 1 7 0 0 14 0 5 3 14 6 2 0 0 0 6 0 0 10 1 2 3 0 0 6 13 3 0 0 3 11 2 4 0 0 0 2 0 2 0 0 0 -1.2038 24 16 4 4 0 0 2 4 0 2 2 13 630.09 0 0 0 0 -3 22 169 1 0 0 0 0 2 0 2 2 1 0 0 0 0 0 9 0 1 3 3 0 0 5 0 17 2 6 16 2 0 0 0 10 0 0 7 3 2 2 0 0 10 12 2 0 0 9 24 4 7 0 0 2 8 0 1 0 0 0 -5.826 55 37 9 9 0 0 1 8 1 8 7 29 1416.45 0 0 0 1 -2 59 334 1 0 0 0 0 5 0 3 7 5 5 0 0 0 0 7 0 4 9 9 0 0 20 0 32 3 24 24 7 0 0 0 21 0 0 22 3 3 6 0 0 21 28 6 0 0 # -5.642 -2.43 52.908 # PRO Env_2i78_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 60 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 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 0.0136 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 20 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 1 2 0 0 1 0 0 0 0 0 -2.7973 6 2 3 1 0 0 0 1.5 1.5 1 0 2 147.951 0.333 0 0.333 0.333 -3 14 348 0 2 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 1 0 0 1 2 3 0 0 3 0 0 0 0 3 0 0 0 3 3 0 0 0 2 2 3 1 0 0 0 1 0 0 0 0 0 0.6221 9 7 1 1 0 0 0 1 0 1 2 2 220.361 0.333 0 0.333 0.333 1 25 484 0 3 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 5 4 0 2 2 3 2 0 0 4 0 0 0 0 5 0 0 0 4 5 0 0 0 2 5 3 2 1 0 1 1 2 1 0 0 0 -4.0969 18 10 4 4 0 0 1 3 1 2 4 6 425.467 1.332 0.999 0.333 1.832 -4 44 846 0 4 1 0 0 0 8 0 2 0 0 0 0 0 0 0 0 2 1 0 0 0 0 12 6 0 2 2 6 8 0 0 10 0 0 0 0 8 0 0 0 10 8 0 0 0 8 8 10 2 0 0 2 2 3 1 0 0 0 -1.1039 36 26 4 6 0 0 1 2.5 1.5 3.5 13 12 890.797 1.665 1.665 0 2.165 0 67 786 0 1 3 3 0 0 7 0 7 0 0 0 0 0 0 2 0 9 3 1 0 0 1 11 24 0 10 8 8 10 0 0 15 0 2 0 4 15 0 0 0 15 21 0 0 0 # -13.9967 -5 64.6233 # GLU Env_2i78_16 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 4 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 16 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 0.2033 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 2 0 0 3 0 1 0 3 1 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 1 4 6 1 0 0 0 3 0 0 0 0 0 -3.3834 15 11 1 3 0 0 0 1 0 3 6 4 366.714 0 0 0 0 4 39 42 0 0 0 0 0 3 0 0 0 0 0 0 0 0 2 2 0 4 3 1 0 0 3 0 12 0 7 8 0 0 0 4 6 0 0 0 1 1 3 0 0 10 2 3 0 0 4 11 9 5 0 0 1 4 0 1 0 0 0 -4.0003 35 24 6 5 0 0 1 5 1 4 11 16 859.037 0 0 0 0 3 48 195 1 4 0 0 0 2 0 0 0 0 0 0 0 0 2 5 0 6 13 2 0 0 5 4 26 0 11 20 4 0 0 6 11 0 0 0 1 7 10 0 0 17 8 10 0 0 8 13 9 5 0 0 0 3 0 1 0 0 0 -2.0308 39 30 5 4 0 0 1 5 0 3 11 19 1032.92 0 0 0 0 5 56 315 1 1 0 0 0 1 0 5 0 0 0 0 0 0 2 3 0 4 19 3 0 0 6 1 27 5 10 28 1 0 0 7 18 0 0 0 3 8 3 0 0 25 11 3 0 0 # -7.97 -7.72 54 # VAL Env_2i78_17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 21 450 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 6 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 75 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 1 0 0 0 0 1 0 0 0 1 2 0 1 0 0 0 2 0 1 0 1 0 -1.8408 8 3 1 3 1 0 1.5 1 0 2 0 5 181.333 0 0 0 0 -5 9 219 0 2 0 0 2 0 0 0 0 0 0 0 0 2 1 0 0 0 1 0 0 0 3 2 3 0 3 3 2 0 0 0 1 0 0 0 3 4 0 0 0 1 7 0 0 0 4 3 2 2 1 0 0 2 0 1 0 0 0 -0.8827 15 9 3 3 0 0 1 2.5 0.5 2 2 9 361.587 0.666 0 0.666 0.666 -4 27 430 0 5 0 0 4 0 0 0 0 0 0 0 0 2 1 0 0 0 3 0 0 0 3 5 7 0 3 7 5 0 0 0 4 0 0 0 5 5 1 0 0 4 10 1 0 0 4 7 3 3 2 0 1 1 0 2 1 0 0 -4.0187 24 14 6 3 1 0 2 3.5 2.5 1 7 8 589.707 0.333 0 0.333 0.333 -2 63 449 0 6 0 0 0 0 0 2 0 0 0 0 1 0 4 2 0 1 8 0 0 0 5 6 11 2 6 12 6 0 0 0 8 0 0 0 4 8 4 0 0 8 12 4 0 0 # -22.295 -8.11667 58.7933 # PHE Env_2i78_18 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 0 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 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 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 2 2 0 1 0 0 0 1 1 0 0 0 0 -0.5233 7 4 1 2 0 0 0 1 0 1.5 0 4 160.877 0.666 0.666 0 0.666 -2 9 54 0 0 0 4 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0 0 0 7 0 0 3 0 4 0 0 0 0 0 0 3 4 0 0 0 3 4 6 3 0 0 0 0 1 2 0 0 0 -3.1886 19 13 3 3 0 0 2 3 0 0.5 8 5 452.754 0.333 0.333 0 0.333 3 54 240 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 1 0 2 12 2 0 0 2 2 15 0 4 13 0 2 0 0 10 0 0 0 0 7 2 0 0 10 7 2 0 0 3 13 10 1 0 0 0 6 0 2 0 0 0 -4.5666 35 26 1 8 0 0 2 1 0 6 10 14 912.843 0 0 0 0 7 51 251 0 0 1 0 0 0 3 0 0 0 0 0 0 0 1 5 3 2 12 8 0 0 9 3 23 0 11 21 0 3 0 0 25 0 0 0 0 5 5 0 0 25 5 5 0 0 10 10 5 8 0 0 0 5 1 0 0 0 0 -2.235 39 25 8 6 0 0 0 8 0 5.5 5 25 954.112 0.666 0.666 0 0.666 -6 37 269 1 0 5 0 0 0 8 0 0 0 0 3 0 0 6 0 2 4 6 4 0 0 11 11 17 0 15 13 3 8 0 1 21 0 3 0 1 6 7 0 0 22 10 7 0 0 # -11.4033 -11.3867 62.9 # ASP Env_2i78_19 0 0 1 0 0 0 2 0 0 0 0 0 0 -0.6593 3 1 2 0 0 0 0 1 1 0 3 0 61.237 0 0 0 1 -2 11 45 0 0 0 0 0 0 0 0 3 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 3 0 0 0 0 0 3 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 -0.0338 2 2 0 0 0 0 0 0 0 0 2 0 47.1 0 0 0 0 0 5 30 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 1 0 0 0 -0.9812 3 2 0 1 0 0 1 0 0 0 0 0 84.177 0 0 0 0 1 5 53 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 2 0 1 1 1 0 0 0 0 0 0 0 2 1 0 0 0 0 3 0 0 0 3 7 1 2 0 0 1 2 2 0 0 0 0 -2.5161 18 11 3 4 0 0 0 2 1 3 2 7 446.166 0.999 0.999 0 0.999 -4 24 238 2 0 3 3 0 0 0 0 3 0 0 0 0 0 0 2 0 2 0 3 0 0 5 3 10 0 7 5 3 3 0 0 0 0 0 2 5 8 3 0 0 0 15 3 0 0 6 4 3 5 1 0 0 4 0 0 0 0 0 -1.8706 23 13 6 4 0 0 0 5.5 0.5 4 3 16 543.869 0.333 0 0.333 0.333 -7 22 513 3 1 4 3 0 0 0 1 2 0 0 0 0 0 0 2 0 3 0 4 0 0 7 4 11 1 10 7 3 3 0 0 0 0 0 5 4 11 3 0 0 0 20 3 0 0 5 8 4 4 1 0 2 4 1 1 0 0 0 -4.4072 30 17 7 6 0 0 1 5.5 1.5 4.5 6 17 709.862 0.999 0.333 0.666 1.999 -7 50 786 0 2 1 3 0 0 1 2 3 0 0 0 0 0 4 1 0 5 4 4 0 0 8 6 14 2 13 8 5 4 0 0 2 0 0 9 3 6 10 0 0 2 18 10 0 0 # -9.46 -1.485 59.4 # HIS Env_2i78_20 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 2 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 2 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 2 0 0 0 0 0 1 0 0 1 0 0 -0.1746 5 3 0 1 1 0 0 0 0 1 0 3 138.545 0 0 0 0 0 6 39 0 1 0 0 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 3 0 1 3 1 0 0 0 1 0 0 0 3 1 0 0 0 1 4 0 0 0 4 4 7 4 1 0 0 2 0 1 0 0 0 -3.1729 23 15 5 3 0 0 1 4 1 2 8 11 558.068 0 0 0 0 1 44 722 0 6 0 0 1 0 0 3 0 0 0 0 0 3 2 1 0 0 7 0 0 0 5 6 9 3 5 12 6 0 0 0 0 0 0 0 3 19 1 0 0 0 22 1 0 0 2 6 5 2 0 0 0 3 0 0 0 0 0 -0.8092 18 13 2 3 0 0 0 2 0 3 4 9 445.615 0.333 0 0.333 0.333 3 24 506 0 2 0 0 0 0 0 1 0 0 0 0 3 4 0 5 0 0 3 0 0 0 7 2 8 1 7 9 2 0 0 0 3 0 0 0 0 10 5 0 0 3 10 5 0 0 4 9 4 3 4 0 1 3 1 1 0 0 0 -4.5264 30 17 8 5 0 0 1 4.5 3.5 3.5 4 14 752.462 1.665 0.333 1.332 1.665 -8 63 392 0 6 0 0 0 3 1 6 0 0 0 0 1 2 3 2 0 4 2 0 0 0 6 7 11 6 10 13 6 1 0 0 2 0 0 4 5 8 11 0 0 2 17 11 0 0 # -25.85 -8.4 55.31 # CYS Env_2i78_21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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_2i78_22 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 36 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 1 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 -0.0927 3 2 1 0 0 0 0 0.5 0.5 0 1 1 87.599 0 0 0 0.5 -1 5 87 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 3 0 0 2 1 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0.1244 4 3 1 0 0 0 0 1 0 0 2 2 100.689 0 0 0 0 -1 7 102 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 4 0 0 2 2 0 0 0 0 0 0 0 4 0 0 0 0 0 4 0 0 0 1 1 2 1 0 0 2 3 0 0 0 0 0 -2.7033 10 4 3 3 0 0 0 1.5 1.5 3 4 5 197.455 0 0 0 0.5 -5 14 279 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 1 0 4 1 1 0 0 2 0 8 0 6 2 2 0 0 0 1 0 0 4 3 2 0 0 0 1 9 0 0 0 2 7 3 1 1 0 0 2 0 0 0 0 0 -1.039 16 12 2 2 0 0 0 1.5 0.5 2 3 7 424.881 0.333 0 0.333 0.333 3 20 457 2 1 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 5 3 2 0 0 4 1 10 1 9 4 3 0 0 0 4 0 0 6 2 4 0 0 0 4 12 0 0 0 8 9 6 7 1 0 0 2 2 1 0 0 0 -4.2599 36 23 8 5 0 0 1 7.5 0.5 3 7 18 880.218 1.332 0.666 0.666 1.332 -5 65 784 2 2 4 1 0 0 1 5 2 0 0 0 0 0 3 0 0 2 8 6 0 0 11 4 16 5 13 17 4 2 0 0 7 0 0 4 2 14 9 0 0 7 20 9 0 0 # -11.85 -1.86 57.17 # SER