# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3d4q # POINT_FILE ../DUDE/pocket_res_ptf_tian/3d4q_SM5_A_1.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_3d4q_0 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 11 300 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 0 3 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 2 100 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 0 1 0 0 0 0 1 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 -0.2461 3 2 1 0 0 0 0 0 1 0 1 1 87.599 0 0 0 0 0 5 245 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 1 0 1 0 0 2 0 0 0 0 0 0 0 2 1 0 0 0 2 1 0 0 1 0 3 2 0 1 0 1 0 0 0 0 0 -1.6346 8 4 3 1 0 0 0 2 1 1 3 4 180.409 1 0 1 1 -1 17 449 0 0 0 0 1 0 2 1 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 3 4 1 3 2 1 2 0 0 0 0 0 1 0 3 4 0 0 0 4 4 0 0 2 2 3 0 0 0 0 2 0 0 0 0 0 -0.1252 9 7 0 2 0 0 0 0 0 2 3 5 224.707 0 0 0 0 0 15 425 0 0 0 0 1 0 1 3 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 2 4 3 3 4 1 1 0 0 0 0 0 1 0 4 4 0 0 0 5 4 0 0 2 3 2 2 0 0 0 1 2 0 0 0 0 -2.084 12 7 2 3 0 0 0 2 0 2 2 5 275.703 0.999 0.999 0 0.999 -1 23 584 0 0 0 1 2 0 2 0 0 0 0 1 0 0 0 1 0 5 0 0 0 0 0 4 8 0 5 3 1 3 0 0 0 0 0 2 2 0 8 0 0 0 4 8 0 0 # 84.9867 17.5333 -12.9633 # GLU Env_3d4q_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 16 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 16 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 3 0 1 0 0 0 0 0 0 0 0 0 -0.8138 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 4 78 0 0 0 0 2 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 3 0 1 2 1 0 0 0 0 0 0 1 0 0 3 0 0 0 1 3 0 0 3 6 2 3 0 0 0 3 0 0 0 0 0 -1.9564 17 11 3 3 0 0 0 3 0 3 2 7 422.944 0 0 0 0 -1 25 442 0 0 0 0 2 4 1 0 4 0 0 3 0 1 0 0 0 2 0 0 0 0 1 4 12 0 3 6 7 1 0 0 0 0 0 12 0 1 4 0 0 0 13 4 0 0 5 12 4 5 0 1 2 6 0 0 0 0 0 -4.2383 35 21 8 6 0 0 0 6 2 6 6 23 877.687 1 0 1 2 -6 35 1091 0 0 0 0 0 4 3 0 4 0 8 6 0 7 0 0 1 2 0 0 0 0 15 9 11 0 17 5 10 3 0 0 0 0 0 26 1 2 6 0 0 0 29 6 0 0 5 6 8 5 0 0 1 3 0 1 0 0 0 -2.5674 29 19 6 4 0 0 1 5 1 3 9 14 705.855 0 0 0 0 0 40 955 1 0 0 0 0 1 2 1 1 1 4 0 0 3 0 2 3 7 0 3 0 0 12 2 14 1 19 7 1 2 0 0 0 0 0 14 0 3 12 0 0 0 17 12 0 0 # 79.89 14.31 -6.04 # CYS Env_3d4q_2 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 18 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 54 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 1 0 0 0 -1.0624 4 1 1 2 0 0 1 1 0 1 0 3 76.298 0 0 0 0 -3 2 33 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 0 0 3 0 1 0 3 1 0 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 2 5 2 1 0 0 0 4 0 0 0 0 0 -2.0848 14 9 1 4 0 0 0 1 0 4 2 10 347.725 0 0 0 0 -2 12 281 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 4 3 1 4 0 0 4 0 10 0 7 7 0 0 0 0 0 0 0 11 0 0 3 0 0 0 11 3 0 0 4 13 4 8 0 0 0 2 0 0 0 0 0 -3.0921 31 21 8 2 0 0 0 8 0 2 4 17 794.012 0 0 0 0 3 34 776 0 0 0 0 1 2 0 1 0 2 2 3 0 0 0 0 2 7 2 9 0 0 13 3 14 1 20 8 3 0 0 0 0 0 0 21 0 0 10 0 0 0 21 10 0 0 4 20 2 1 0 0 1 6 0 0 0 1 0 -3.7439 35 26 2 6 1 0 0.5 1 1 6 3 17 987.483 0 0 0 0 5 36 937 0 0 0 2 4 2 0 2 0 2 1 5 0 0 0 0 0 4 2 11 0 0 14 7 12 2 18 10 5 2 0 0 0 0 0 26 0 0 9 0 0 0 26 9 0 0 # 79.65 8.5 -10.66 # ALA Env_3d4q_3 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 81 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 27 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 1 0 0 0 0 0 1 0 0 0 -0.2839 5 3 1 1 0 0 1 1 0 0 0 3 131.824 0 0 0 0 -2 3 102 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 2 3 0 0 3 0 2 0 0 0 0 0 0 3 0 2 0 0 0 3 2 0 0 2 4 0 4 0 1 0 3 0 0 0 0 0 -3.1967 14 6 5 3 0 0 0 4 1 3 0 8 322.961 1 0 1 1 -6 20 203 0 0 3 2 0 0 0 3 0 0 0 3 0 1 0 2 0 0 0 0 0 0 1 5 5 3 1 8 3 2 0 3 0 0 0 5 3 0 3 0 0 3 8 3 0 0 5 3 1 2 0 0 0 2 3 0 0 0 0 -1.2798 16 9 2 5 0 0 0 2 0 3.5 1 10 375.343 1.332 1.332 0 1.332 -6 19 179 0 0 1 1 0 0 3 6 1 0 1 0 0 2 0 1 0 0 0 0 0 0 3 4 3 6 3 8 1 4 0 1 3 0 0 2 4 0 6 0 0 4 6 6 0 0 2 14 7 2 0 1 2 4 0 0 0 0 0 -4.3948 32 23 5 4 0 0 0 3 2 4 9 11 845.41 1.333 0.333 1 2.333 8 58 1094 0 0 1 3 0 0 1 3 2 0 4 4 0 11 0 2 0 0 0 1 0 0 16 8 5 3 16 6 6 4 0 1 1 0 0 7 9 2 12 0 0 2 18 12 0 0 # 81.5933 1.90333 -2.71667 # ASP Env_3d4q_4 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 3 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 9 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 3 1 1 0 0 0 2 0 0 0 0 0 -1.1497 9 6 1 2 0 0 0 1 0 2 1 5 225.254 0 0 0 0 1 9 94 0 1 0 0 0 0 1 0 0 0 4 0 0 2 0 0 0 0 0 1 0 0 7 2 0 0 7 0 1 1 0 0 6 0 0 2 1 0 0 0 0 6 3 0 0 0 2 3 4 2 0 0 0 2 0 1 0 0 0 -2.5395 14 9 2 3 0 0 1 2 0 2 4 9 342.053 0 0 0 0 -1 16 105 0 1 0 0 0 0 1 0 0 0 0 0 0 4 0 0 1 0 0 7 0 0 11 2 1 0 11 1 1 1 0 0 8 0 0 4 1 0 1 0 0 8 5 1 0 0 4 16 3 4 1 0 0 1 1 0 0 0 0 -1.8043 30 23 5 2 0 0 0 4.5 0.5 1.5 3 11 837.498 0.999 0.666 0.333 0.999 8 43 446 0 4 0 0 0 0 5 4 0 1 0 1 0 7 0 0 3 0 0 5 0 0 13 10 3 4 13 7 5 5 0 0 14 0 0 5 4 0 7 0 0 14 9 7 0 0 5 11 5 3 3 0 0 8 1 0 0 0 0 -6.3989 36 21 6 9 0 0 0 3.5 2.5 8.5 4 19 876.91 0.999 0.333 0.666 0.999 -4 55 562 0 6 2 0 0 0 2 0 0 4 3 3 1 9 0 0 4 0 0 2 0 0 19 11 6 0 19 6 9 2 0 0 5 0 1 7 6 0 17 0 0 5 14 17 0 0 # 71.29 3.99 -3.12 # LEU Env_3d4q_5 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 4 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 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 -0.8386 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 4 0 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 1 0 1 0 0 0 1 0 0 0 0 0 0.145 5 3 1 1 0 0 0 1 0 1 0 4 126.161 0 0 0 0 -1 3 13 1 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 1 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 0 4 0 1 0 0 0 3 0 0 0 0 0 -2.548 8 4 1 3 0 0 0 1 0 3 0 6 182.659 0 0 0 0 -2 4 56 2 0 0 0 0 0 0 1 0 0 1 3 0 0 0 0 0 0 0 1 0 0 4 3 0 1 4 1 3 0 0 0 1 0 0 7 0 0 0 0 0 1 7 0 0 0 5 15 5 3 0 1 0 1 2 0 0 0 0 -2.4037 32 25 4 3 0 0 0 3 1 2 5 11 905.563 1.999 0.999 1 1.999 10 60 213 2 0 0 0 0 0 4 1 0 0 2 6 0 5 0 0 2 0 3 7 0 0 16 10 5 1 16 6 6 4 0 0 8 0 0 22 0 0 2 0 0 8 22 2 0 0 4 20 7 5 0 0 0 6 0 1 0 0 0 -5.255 43 31 5 7 0 0 1 5 0 6 7 21 1128.87 0 0 0 0 8 45 231 2 0 0 0 0 0 4 2 0 0 7 0 2 9 0 2 3 0 3 9 0 0 29 4 8 2 29 10 0 4 0 0 17 0 0 22 0 0 4 0 0 17 22 4 0 0 # 74.79 1.76 -8.88 # ILE Env_3d4q_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 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 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 72 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 1 2 0 0 0 0 0 1 0 0 0 -0.7092 6 3 2 1 0 0 1 2 0 0 1 3 133.03 0 0 0 0 -2 5 226 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 6 0 0 4 2 0 0 0 2 0 2 0 0 0 2 0 0 2 2 2 0 0 2 3 2 0 0 0 1 3 0 0 0 0 0 -0.981 11 7 1 3 0 0 0 0.5 0.5 3 3 7 269.211 0 0 0 0.5 -4 11 420 0 0 0 0 0 0 0 2 4 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 9 2 0 7 4 0 0 0 4 0 4 0 0 2 1 0 0 4 6 1 0 0 1 1 3 3 0 0 2 0 0 0 0 0 0 -1.7502 10 5 5 0 0 0 0 4 1 0 5 5 230.152 0 0 0 1 -3 18 394 0 0 0 0 0 0 0 1 6 0 1 0 0 2 0 0 0 0 0 0 0 0 3 0 6 1 3 1 6 0 0 0 7 0 0 2 0 1 0 0 0 7 3 0 0 0 3 8 4 3 0 0 1 6 0 0 0 0 0 -3.4479 25 15 4 6 0 0 0 3.5 0.5 6 5 16 588.322 0 0 0 0.5 -4 22 989 0 0 1 0 1 0 1 1 6 2 4 0 0 4 0 0 0 0 5 0 0 0 10 1 13 1 10 8 6 1 0 1 13 0 0 7 0 3 1 0 0 14 10 1 0 0 # 89.15 12.65 -6.51 # SER Env_3d4q_7 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 14 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 42 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 2 0 2 0 0 0 2 0 0 0 0 0 -1.9643 7 3 2 2 0 0 0 2 0 2 0 5 151.792 0 0 0 0 -2 4 88 1 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 2 0 5 0 2 5 0 0 0 0 0 0 0 6 0 0 1 0 0 0 6 1 0 0 3 4 0 1 0 0 0 3 0 0 0 0 0 -0.356 11 7 1 3 0 0 0 1 0 3 0 9 283.189 0 0 0 0 -2 5 138 4 0 0 0 0 2 0 0 0 0 3 0 0 0 0 0 0 0 0 2 0 0 9 0 2 0 9 2 0 0 0 0 0 0 0 8 0 0 3 0 0 0 8 3 0 0 3 12 0 5 0 0 0 2 0 0 0 0 0 -2.0166 22 15 5 2 0 0 0 5 0 2 0 17 596.323 0 0 0 0 -2 7 238 0 0 0 0 0 2 0 0 0 1 7 0 0 2 0 0 0 2 0 8 0 0 18 0 4 0 20 2 0 0 0 0 0 0 0 13 0 0 9 0 0 0 13 9 0 0 5 18 4 5 0 0 0 4 0 0 1 1 0 -3.7743 38 27 5 4 2 0 0.5 5 0 4 4 15 1027.64 0 0 0 0 10 50 499 0 0 0 0 2 2 0 1 0 4 3 2 5 3 0 0 0 6 1 9 0 0 24 2 11 1 30 6 2 0 0 0 1 0 0 26 0 0 11 0 0 1 26 11 0 0 # 76.97 8.64 -8.34 # THR Env_3d4q_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 1 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 -0.6146 3 2 0 1 0 0 0 0 0 0.5 0 1 81.157 0.333 0.333 0 0.333 -1 4 59 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 1 2 0 0 2 0 1 0 0 0 0 0 0 2 0 1 0 0 0 2 1 0 0 2 1 0 2 0 1 0 1 1 0 0 0 0 -1.2145 8 3 3 2 0 0 0 2 1 1.5 0 5 175.014 1.666 0.666 1 1.666 -3 10 127 0 0 0 2 0 0 0 2 0 0 0 1 0 0 0 3 0 0 0 0 0 0 0 3 3 2 0 5 1 2 0 0 0 0 0 1 5 0 2 0 0 0 6 2 0 0 3 6 3 3 0 0 0 2 1 0 0 0 0 -1.4923 18 12 3 3 0 0 0 3 0 2.5 3 9 454.747 0.333 0.333 0 0.333 0 24 622 0 0 0 1 0 0 1 5 0 0 2 2 0 7 0 0 0 0 0 0 0 0 9 4 0 5 9 5 2 2 0 0 1 0 0 5 9 0 3 0 0 1 14 3 0 0 3 8 2 1 0 0 0 2 1 0 0 0 0 -1.6167 17 13 1 3 0 0 0 1 0 2.5 2 9 459.983 0.666 0.666 0 0.666 2 24 659 0 0 0 3 0 0 3 1 0 0 4 0 0 6 0 0 0 0 0 0 0 0 10 6 0 1 10 1 0 6 0 0 3 0 0 1 8 0 5 0 0 3 9 5 0 0 4 10 1 4 0 0 0 4 1 0 0 0 0 -3.5062 24 15 4 5 0 0 0 4 0 4.5 1 9 596.752 0.666 0.666 0 0.666 1 32 571 3 0 3 4 0 0 1 3 0 0 4 2 0 3 0 1 0 0 0 0 0 0 10 7 4 3 10 7 2 5 0 3 3 0 0 6 3 0 9 0 0 6 9 9 0 0 # 80.97 -1.01 -2.81 # SER Env_3d4q_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 2 100 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 1 200 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 2 0 0 1 0 0 0 0 0 0 0 0 0 0.7788 3 2 1 0 0 0 0 1 0 0 0 3 81.157 0 0 0 0 -1 0 215 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 1 0 3 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 1 0 1 1 0 0 3 0 0 0 0 0 -3.0071 6 1 2 3 0 0 0 1.5 0.5 3 0 5 106.558 0.333 0 0.333 0.333 -5 6 298 0 1 0 0 0 0 0 4 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 4 0 5 1 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 3 4 1 3 2 0 0 1 0 1 0 0 0 -1.2261 15 8 5 2 0 0 1 3.5 1.5 1 0 9 371.219 0.666 0 0.666 0.666 -6 20 741 0 3 0 0 0 0 0 5 0 0 0 0 0 0 0 0 6 0 0 1 0 0 1 3 6 5 1 11 3 0 0 0 0 0 0 15 0 0 0 0 0 0 15 0 0 0 1 6 0 2 0 0 0 2 0 0 0 0 0 -1.4156 11 7 2 2 0 0 0 2 0 2 0 7 285.832 0 0 0 0 -1 8 607 0 2 0 0 0 0 0 2 0 2 0 0 0 0 0 1 1 0 0 3 0 0 5 2 2 2 5 4 2 0 0 0 0 0 0 10 1 0 0 0 0 0 11 0 0 0 # 88.89 -0.36 -8.71 # SER Env_3d4q_10 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 17 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 34 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 3 1 0 0 0 -2.8559 6 1 0 5 0 0 1 0 0 2.5 0 1 91.641 1.332 1.332 0 1.332 -5 16 80 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 4 2 0 0 2 0 4 0 0 3 0 0 0 2 0 1 0 0 3 2 1 0 0 3 7 0 2 0 0 0 0 1 0 0 0 0 -0.292 13 10 2 1 0 0 0 2 0 0.5 0 6 364.58 0.666 0.666 0 0.666 1 15 179 0 0 0 2 0 0 0 3 0 0 2 2 0 0 0 4 0 0 0 0 0 0 2 4 4 3 2 7 2 2 0 0 0 0 0 3 6 0 4 0 0 0 9 4 0 0 5 14 2 4 0 0 0 3 0 0 0 0 0 -0.3165 28 21 4 3 0 0 0 4 0 3 2 18 774.82 0 0 0 0 3 18 780 0 0 0 3 0 0 2 6 0 3 1 3 0 10 0 0 0 0 0 0 0 0 14 8 0 6 14 6 3 5 0 0 2 0 0 11 8 0 7 0 0 2 19 7 0 0 4 10 2 7 0 0 0 6 0 0 0 0 0 -5.7232 29 16 7 6 0 0 0 7 0 6 2 21 690.105 0 0 0 0 -5 17 584 3 0 0 2 0 0 1 3 0 3 5 1 3 5 0 1 1 0 0 1 0 0 20 4 2 3 20 5 1 3 0 0 6 0 0 12 4 0 7 0 0 6 16 7 0 0 # 79.45 -0.09 -5.39 # LYS Env_3d4q_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 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 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 27 0 0 0 1 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 3 1 3 0 1 0 0 0 0 0 1 0 0 4 0 0 0 1 4 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 0 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 0 0 0 1 0 0 0 0 0 0 1 0 0 0 3 9 5 1 0 0 0 3 0 0 0 0 0 -1.6007 21 17 1 3 0 0 0 1 0 3 5 9 583.344 0 0 0 0 8 30 346 0 0 3 4 0 0 0 0 0 4 3 2 0 5 0 0 0 0 0 0 0 0 12 6 3 0 12 3 2 4 0 3 0 0 0 8 0 0 10 0 0 3 8 10 0 0 4 8 6 4 0 0 1 2 0 0 0 0 0 -2.3325 25 18 5 2 0 0 0 4.5 0.5 2 7 10 633.907 0.333 0.333 0 0.833 1 42 323 0 0 4 1 0 0 0 0 3 5 5 2 0 5 0 0 0 0 0 0 0 0 15 3 7 0 15 4 5 1 0 4 0 0 2 7 0 0 12 0 0 4 9 12 0 0 2 12 4 5 0 0 1 3 3 1 0 0 0 -7.0977 31 18 6 7 0 0 1 5.5 0.5 4.5 5 13 748.154 0.999 0.999 0 1.499 -1 44 561 0 0 4 2 0 0 1 0 2 9 2 1 0 8 0 0 2 0 0 0 0 0 19 4 8 0 19 6 3 3 0 3 2 0 5 12 1 0 8 0 0 5 18 8 0 0 # 79.44 7.75 -1.38 # GLY Env_3d4q_12 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 21 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 7 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 3 0 1 0 1 0 0 0 0 0 0 0 -0.836 5 3 2 0 0 0 0 1 1 0 0 2 148.177 1 0 1 1 2 9 36 0 0 0 0 0 0 1 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 2 0 2 1 2 1 1 0 0 1 0 0 2 2 0 0 0 0 1 4 0 0 0 3 6 0 1 0 0 0 2 1 1 0 0 0 -1.8173 14 9 1 4 0 0 1 1 0 2.5 0 8 370.009 0.333 0.333 0 0.333 -3 15 120 0 0 0 2 0 0 3 0 0 1 1 1 0 5 0 1 0 0 0 0 0 0 7 6 1 0 7 1 1 5 0 0 4 0 0 2 1 0 7 0 0 4 3 7 0 0 2 11 2 4 0 0 0 5 0 0 0 0 0 -4.4231 24 15 4 5 0 0 0 4 0 5 2 12 583.817 0.333 0.333 0 0.333 1 26 295 1 0 0 5 0 0 1 2 0 2 5 1 0 3 0 2 0 0 0 2 0 0 13 7 2 2 13 4 1 6 0 0 7 0 0 3 5 0 9 0 0 7 8 9 0 0 7 16 6 6 0 0 0 2 1 0 0 0 0 -1.6357 38 29 6 3 0 0 0 6 0 2.5 6 19 1056.15 0.333 0.333 0 0.333 8 40 716 3 0 3 1 0 0 0 1 0 3 5 3 0 11 0 3 1 0 0 4 0 0 26 4 7 1 26 8 3 1 0 0 17 0 0 7 8 0 6 0 0 17 15 6 0 0 # 76.5767 0.583333 -4.09333 # GLU Env_3d4q_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 8 150 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 50 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 2 2 1 0 0 0 0 0 0 0 0 0 -0.6081 5 4 1 0 0 0 0 1 0 0 2 2 128.257 0 0 0 0 2 6 295 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 5 0 0 5 0 0 0 2 3 0 0 0 0 0 0 0 0 5 0 0 0 0 3 3 3 0 0 0 0 1 0 0 0 0 0 0.2472 10 9 0 1 0 0 0 0 0 1 4 3 279.186 0 0 0 0 3 25 453 0 0 2 0 0 0 0 0 0 0 0 3 0 0 0 1 0 0 4 0 0 0 0 3 7 0 0 7 3 0 0 3 4 0 0 0 0 3 0 0 0 7 3 0 0 0 2 5 3 4 0 1 0 3 0 3 0 0 0 -4.5166 21 10 5 6 0 0 3 4 1 3 3 10 490.144 1 0 1 1 -5 37 539 0 0 2 0 0 0 0 0 1 0 0 4 0 0 0 7 0 3 4 0 0 0 0 4 17 0 3 13 5 0 0 7 5 0 2 0 3 4 0 0 0 12 9 0 0 0 4 5 4 4 0 0 1 1 1 1 0 0 0 -2.6864 21 13 5 3 0 0 1 4 1 1.5 5 11 513.066 0.333 0.333 0 0.333 -5 30 395 0 0 5 0 0 0 1 0 2 1 2 2 0 0 0 3 0 4 1 0 0 0 3 3 15 0 7 9 4 1 0 5 6 0 2 1 4 2 1 0 0 11 9 1 0 0 # 90.46 6.15 -0.576667 # ASN Env_3d4q_14 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 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 1 0 0 0 0 0 0 1 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 -0.7258 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 2 4 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 3 0 0 0 0 0 0 3 0 0 0 2 0 0 2 0 0 0 2 0 0 0 0 0 -0.7726 6 2 2 2 0 0 0 2 0 2 0 6 118.282 0 0 0 0 -4 0 18 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 3 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 2 6 0 1 0 0 0 2 0 0 0 0 0 -0.2139 11 8 1 2 0 0 0 1 0 2 0 8 305.205 0 0 0 0 0 5 48 1 0 0 0 0 0 0 3 0 3 0 0 2 0 0 0 1 0 0 1 0 0 7 0 1 3 7 4 0 0 0 0 0 0 0 10 0 0 1 0 0 0 10 1 0 0 4 19 6 5 0 0 0 3 0 0 1 0 0 -3.9639 38 29 5 3 1 0 0 5 0 3 6 16 1049.66 0 0 0 0 13 50 332 4 0 0 0 0 0 0 0 0 7 0 0 5 2 0 0 4 5 3 8 0 0 26 0 12 0 31 7 0 0 0 0 0 0 0 29 0 5 4 0 0 0 34 4 0 0 3 15 6 5 0 0 1 7 0 1 0 0 0 -6.2225 38 24 6 8 0 0 1 5 1 7 7 22 939.301 0 0 0 0 -3 42 359 4 0 0 0 0 2 0 0 0 5 1 2 0 5 0 3 1 9 2 4 0 0 19 2 17 0 28 8 2 0 0 0 0 0 0 24 0 8 6 0 0 0 32 6 0 0 # 73.11 5.93 -12.61 # VAL Env_3d4q_15 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 15 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 0 231 0 0 0 0 0 0 0 3 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 3 1 4 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 -1.4305 2 0 1 1 0 0 0 0.5 0.5 1 0 1 35.923 0.333 0 0.333 0.333 -2 6 218 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 1 7 1 2 1 0 0 2 0 1 0 0 0 -1.5275 15 9 3 3 0 0 1 2.5 0.5 2 0 7 381.507 0.666 0 0.666 0.666 -2 20 1318 0 3 0 0 0 0 0 0 0 4 0 0 0 0 0 5 0 0 0 3 0 0 7 3 5 0 7 5 3 0 0 0 0 0 0 15 0 0 0 0 0 0 15 0 0 0 3 10 0 1 1 0 0 1 0 0 0 0 0 -1.2163 16 13 2 1 0 0 0 1 1 1 0 8 481.84 0 0 0 0 3 19 1202 0 6 0 0 0 0 0 1 0 2 0 0 0 0 0 0 3 0 0 4 0 0 6 6 3 1 6 4 6 0 0 0 0 0 0 16 0 0 0 0 0 0 16 0 0 0 1 3 0 3 0 0 0 3 0 1 0 0 0 -2.6229 11 4 3 4 0 0 1 3 0 3 0 9 228.09 0 0 0 0 -7 3 582 0 1 0 0 0 1 0 3 0 0 0 0 0 0 0 0 4 0 2 0 0 0 0 1 7 3 0 10 1 0 0 0 0 0 0 11 0 0 0 0 0 0 11 0 0 0 # 88.63 3.6 -10.95 # GLY Env_3d4q_16 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 20 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 0 0 0 1 0 0 0 0 1 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 60 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 0 0 0 3 0 0 0 0 3 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 6 101 0 0 0 0 0 0 0 0 0 2 5 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0 7 0 0 0 0 0 0 0 1 1 0 0 5 0 0 0 2 5 0 0 2 5 0 2 0 0 0 3 0 0 0 0 0 -1.6517 12 7 2 3 0 0 0 2 0 3 0 10 297.326 0 0 0 0 -4 5 80 0 0 0 0 0 1 0 2 0 4 1 4 0 0 0 0 0 0 0 0 0 0 5 4 1 2 5 3 4 0 0 0 0 0 2 7 0 0 3 0 0 0 9 3 0 0 3 10 4 3 0 0 0 3 0 1 0 1 0 -3.4851 25 17 3 4 1 0 1.5 3 0 3 4 9 649.354 0 0 0 0 4 38 317 0 0 1 1 1 3 0 1 0 4 4 2 0 5 0 0 3 0 0 0 0 0 13 3 8 1 13 9 2 1 0 0 1 0 3 12 1 0 8 0 0 1 16 8 0 0 4 18 4 4 0 1 0 6 0 1 0 0 0 -4.3668 38 26 5 7 0 0 1 4 1 6 4 19 1023.83 1 0 1 1 3 48 645 0 0 3 1 1 5 0 1 1 5 2 3 0 10 0 0 3 0 0 3 0 0 20 4 13 1 20 13 4 1 0 1 1 0 2 24 3 0 7 0 0 2 29 7 0 0 # 77.01 10.18 -3.32 # LEU Env_3d4q_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 -0.5471 6 6 0 0 0 0 0 0 0 0 6 0 147.242 0 0 0 0 5 27 270 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 0 2 0 0 0 1 0 0 0 0 0 0 -0.647 3 2 1 0 0 0 0 0 1 0 3 0 67.679 0 0 0 0 0 9 135 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 2 8 0 1 0 1 0 2 0 0 0 0 0 -1.1331 14 10 2 2 0 0 0 1 1 2 0 7 405.735 1 0 1 1 2 19 629 0 0 0 0 3 0 0 0 0 1 0 6 0 0 0 0 0 3 0 1 0 0 2 6 6 0 5 3 6 0 0 0 0 0 0 8 0 0 6 0 0 0 8 6 0 0 4 7 0 5 0 0 0 2 1 0 0 0 0 -1.8132 19 11 5 3 0 0 0 5 0 2.5 0 13 463.489 0.666 0.666 0 0.666 -4 13 1035 3 0 0 1 1 0 4 1 0 2 0 2 0 0 0 0 0 2 2 1 0 0 6 7 5 1 8 4 2 5 0 0 0 0 0 12 0 4 3 0 0 0 16 3 0 0 5 9 0 3 0 0 0 5 3 0 0 1 0 -4.1064 26 14 3 8 1 0 0.5 3 0 6.5 0 16 625.022 1.332 1.332 0 1.332 -8 21 1192 1 0 0 6 2 2 4 4 0 1 0 1 0 0 0 0 0 0 1 4 0 0 6 11 5 4 6 9 1 10 0 0 0 0 0 18 0 6 2 0 0 0 24 2 0 0 # 82.8 12.0967 -12.5817 # TRP Env_3d4q_18 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 0 2 0 1 0 1 0 0 0 0 0 0 0 -0.8522 4 2 2 0 0 0 0 1 1 0 0 1 114.667 1 0 1 1 2 9 48 0 0 0 0 0 1 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 1 2 0 0 0 0 0 0 3 0 0 1 0 0 0 3 1 0 0 2 9 0 1 0 0 0 0 0 0 0 1 0 -0.8887 13 11 1 0 1 0 0.5 1 0 0 0 6 409.268 0 0 0 0 2 17 201 0 0 0 0 1 3 0 0 0 0 6 2 0 0 0 0 0 0 0 1 0 0 7 2 4 0 7 4 2 0 0 0 0 0 0 5 1 0 7 0 0 0 6 7 0 0 4 10 3 3 0 0 2 6 0 0 0 0 0 -2.7305 28 17 5 6 0 0 0 4 1 6 5 15 688.852 0 0 0 1 -4 28 658 0 0 0 0 2 1 0 0 6 2 8 1 0 0 0 0 1 4 0 3 0 0 13 1 14 0 17 4 7 0 0 0 0 0 2 9 3 0 14 0 0 0 14 14 0 0 2 12 0 4 0 1 0 2 0 1 1 0 0 -3.9952 23 14 5 3 1 0 1 4 1 2 0 14 625.864 1 0 1 1 0 24 328 0 0 0 0 1 0 0 0 3 2 1 3 3 1 0 0 5 0 0 4 0 0 11 3 9 0 11 6 6 0 0 0 0 0 2 13 4 1 3 0 0 0 20 3 0 0 # 75.2467 14.69 -5.97 # GLN Env_3d4q_19 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 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 0 167 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 3 0 5 0 0 0 0 0 0 0 4 1 0 0 0 0 0 5 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 -1.3942 3 1 0 2 0 0 0 0 0 1.5 0 2 59.141 0.333 0.333 0 0.333 -2 3 227 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 1 2 0 0 2 0 1 0 0 0 0 0 2 0 0 1 0 0 0 2 1 0 0 3 6 0 2 0 0 0 2 0 1 0 0 0 -0.5778 14 9 2 3 0 0 1 2 0 2 0 7 357.078 0.333 0.333 0 0.333 -2 13 424 0 0 0 1 0 0 0 3 0 0 0 2 0 0 0 7 0 0 0 1 0 0 1 3 7 3 1 10 2 1 0 0 0 0 0 8 5 0 1 0 0 0 13 1 0 0 3 7 0 3 0 1 0 2 1 1 0 0 0 -2.2792 18 10 4 4 0 0 1 3 1 2.5 0 10 465.303 1.333 0.333 1 1.333 -4 20 657 0 0 1 2 0 0 0 3 0 0 0 3 0 3 0 1 3 0 0 2 0 0 5 5 5 3 5 8 3 2 0 1 0 0 0 12 3 0 2 0 0 1 15 2 0 0 1 7 0 1 0 0 0 2 0 0 0 0 0 -1.6444 11 8 1 2 0 0 0 1 0 2 0 6 302.566 0 0 0 0 -1 9 357 0 0 2 1 0 0 0 1 0 0 0 1 0 2 0 0 2 0 0 2 0 0 4 2 4 1 4 5 1 1 0 2 0 0 0 6 2 0 1 0 0 2 8 1 0 0 # 84.36 0.99 -5.87 # GLY Env_3d4q_20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 21 366 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 61 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 3 5 0 2 0 0 0 3 0 0 0 0 0 -0.6044 13 8 2 3 0 0 0 2 0 3 0 12 330.836 0 0 0 0 -5 1 273 0 0 5 0 0 0 0 0 0 4 0 0 0 2 0 2 0 0 0 0 0 0 6 0 7 0 6 7 0 0 0 5 0 0 2 6 0 0 0 0 0 5 8 0 0 0 5 6 0 4 0 0 0 4 0 1 0 1 0 -2.9862 21 11 4 5 1 0 1.5 4 0 4 0 14 514.812 0 0 0 0 -7 15 406 0 0 4 0 2 0 0 3 0 0 3 2 0 2 0 5 0 0 0 0 0 0 5 2 11 3 5 14 2 0 0 4 0 0 3 5 0 0 9 0 0 4 8 9 0 0 3 16 0 7 0 0 0 5 0 1 0 0 0 -4.8494 32 19 7 6 0 0 1 7 0 5 0 20 797.345 0 0 0 0 -4 18 487 0 0 3 3 3 0 0 1 0 7 4 4 0 0 0 7 0 0 0 0 0 0 11 7 13 1 11 14 4 3 0 5 1 0 1 12 0 0 13 0 0 6 13 13 0 0 # 83.4883 9.92667 -4 # PHE Env_3d4q_21 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 26 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 4 104 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 0.2109 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 146 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 2 0 0 2 0 2 0 2 2 0 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 2 7 0 2 0 0 0 5 0 0 0 0 0 -2.9153 16 9 2 5 0 0 0 2 0 5 0 14 387.334 0 0 0 0 -5 5 838 0 0 0 0 0 0 0 4 0 2 0 1 0 0 0 4 2 0 2 1 0 0 3 1 8 4 3 12 1 0 0 0 0 0 0 16 0 0 0 0 0 0 16 0 0 0 5 11 2 6 0 0 0 2 0 0 0 0 0 -0.7193 26 18 6 2 0 0 0 6 0 2 2 16 691.07 0 0 0 0 1 17 1005 1 0 0 0 0 0 0 4 0 5 0 6 0 0 0 0 3 0 4 3 0 0 9 6 7 4 9 11 6 0 0 0 0 0 0 26 0 0 0 0 0 0 26 0 0 0 4 9 4 1 1 0 0 4 0 2 0 0 0 -3.787 25 17 2 6 0 0 2 1.5 0.5 4 5 12 647.639 0.333 0 0.333 0.333 -2 41 1462 3 4 0 0 0 1 0 3 0 1 0 3 1 0 0 2 1 1 4 1 0 0 6 7 9 3 7 11 7 0 0 0 0 0 0 24 0 0 1 0 0 0 24 1 0 0 # 83.88 4.21 -10.51 # VAL Env_3d4q_22 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 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 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 -0.5442 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 4 5 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 5 0 0 0 0 0 0 5 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.3186 3 1 1 1 0 0 0 1 0 1 0 3 59.141 0 0 0 0 -2 0 36 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 2 1 0 0 2 0 1 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 3 4 0 1 0 0 0 3 0 0 0 0 0 -0.7315 11 7 1 3 0 0 0 1 0 3 0 9 283.189 0 0 0 0 -2 3 298 2 0 0 0 0 0 0 0 0 2 0 2 0 0 0 0 0 0 4 1 0 0 5 2 4 0 5 4 2 0 0 0 0 0 0 11 0 0 0 0 0 0 11 0 0 0 4 22 2 7 0 0 0 4 0 0 1 0 0 -4.2631 40 28 7 4 1 0 0 7 0 4 2 24 1089.82 0 0 0 0 5 26 936 5 0 0 0 0 0 0 2 0 3 0 6 5 0 0 0 2 0 3 14 0 0 27 6 5 2 27 7 6 0 0 0 0 0 0 39 0 0 1 0 0 0 39 1 0 0 6 11 2 6 0 0 0 6 0 1 0 0 0 -4.4461 32 19 6 7 0 0 1 6 0 6 3 19 780.724 0 0 0 0 -2 33 1004 1 0 0 0 0 0 0 3 0 5 0 2 1 0 0 0 6 0 3 11 0 0 18 2 9 3 18 12 2 0 0 0 0 0 0 28 0 0 4 0 0 0 28 4 0 0 # 78.09 4.4 -14.42 # VAL Env_3d4q_23 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 86 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 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 4 0 1 0 0 0 0 0 0 0 0 0 -0.9045 5 4 1 0 0 0 0 1 0 0 0 2 148.177 0 0 0 0 2 7 430 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 0 0 0 5 0 0 0 0 0 0 5 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 0 319 0 1 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 1 2 1 1 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 1 2 0 2 0 0 0 3 0 0 0 0 0 -2.7053 8 3 2 3 0 0 0 2 0 3 0 7 173.578 0 0 0 0 -5 4 649 0 2 0 0 0 2 0 1 0 0 0 1 0 0 0 0 0 0 0 2 0 0 2 3 2 1 2 3 3 0 0 0 0 0 0 8 0 0 0 0 0 0 8 0 0 0 4 11 3 2 0 0 0 2 0 0 0 0 0 -0.3744 22 18 2 2 0 0 0 2 0 2 3 11 620.544 0 0 0 0 6 29 1624 0 3 0 0 0 5 0 2 0 0 0 2 0 0 0 0 0 3 4 3 0 0 3 5 12 2 6 11 5 0 0 0 0 0 0 19 0 0 3 0 0 0 19 3 0 0 1 5 5 3 1 0 0 2 0 0 0 0 0 -2.3731 17 11 4 2 0 0 0 3.5 0.5 2 4 5 405.667 0.666 0 0.666 0.666 1 39 1301 0 3 0 0 0 2 0 0 0 0 0 4 0 0 0 1 0 2 3 2 0 0 2 7 8 0 4 6 7 0 0 0 0 0 0 15 0 0 2 0 0 0 15 2 0 0 # 87.2 7.58 -13.09 # ILE Env_3d4q_24 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 12 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 1 0 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 24 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 2 0 0 0 0 0 0 0 2 0 0 0 1 2 0 3 0 0 0 1 0 1 0 0 0 -1.8947 8 3 3 2 0 0 1 3 0 1 0 5 171.592 0 0 0 0 -3 4 332 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 4 0 0 2 0 0 0 0 0 8 0 0 6 2 0 0 0 4 0 3 0 0 0 1 0 0 4 3 1 0 0 5 6 3 1 0 0 0 4 0 0 0 0 0 0.3587 19 14 1 4 0 0 0 1 0 4 3 14 496.402 0 0 0 0 -3 11 799 0 0 4 0 0 0 0 0 3 0 3 0 0 0 0 5 0 0 4 0 0 0 3 0 16 0 3 13 3 0 0 5 10 0 0 0 0 0 4 0 0 15 0 4 0 0 3 2 6 4 0 0 1 4 0 0 0 0 0 -3.9321 20 11 5 4 0 0 0 4.5 0.5 4 7 10 430.406 0 0 0 0.5 -2 29 781 0 0 4 0 0 0 0 0 4 2 2 0 0 3 0 2 0 0 3 0 0 0 7 0 13 0 7 9 4 0 0 5 9 0 0 5 0 0 1 0 0 14 5 1 0 0 5 11 7 6 0 0 2 1 0 1 0 0 0 -1.9759 33 23 8 2 0 0 1 7 1 1 10 15 861.915 0 0 0 1 -1 48 1014 0 0 3 0 0 0 0 2 8 4 3 0 0 7 0 4 0 0 2 0 0 0 14 0 17 2 14 11 8 0 0 7 12 0 0 11 1 2 0 0 0 19 14 0 0 0 # 89.42 10.73 -3.38 # SER Env_3d4q_25 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 27 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 9 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 2 0 1 0 0 0 0 0 0 0 0 0 -0.4317 3 2 1 0 0 0 0 1 0 0 0 2 81.157 0 0 0 0 0 1 45 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 2 0 0 0 0 0 0 1 0 0 2 0 1 0 0 4 6 1 0 0 1 1 6 2 0 0 0 0 -3.1652 21 11 2 8 0 0 0 0.5 1.5 7 2 11 500.017 1.999 0.999 1 2.499 -6 31 541 0 0 6 6 0 0 0 2 2 0 0 5 0 0 0 0 0 0 0 0 0 0 0 11 8 2 0 8 7 6 0 6 0 0 0 0 0 5 10 0 0 6 5 10 0 0 6 6 2 6 0 0 1 0 2 0 0 0 0 -1.352 23 14 7 2 0 0 0 6.5 0.5 1 3 14 556.533 0.999 0.999 0 1.499 -5 24 576 0 0 2 8 0 0 0 2 1 1 3 4 0 2 0 0 0 0 0 0 0 0 6 12 3 2 6 4 5 8 0 2 0 0 0 3 0 4 14 0 0 2 7 14 0 0 4 9 4 5 0 0 0 4 0 2 0 0 0 -4.8822 28 17 5 6 0 0 2 5 0 4 4 14 697.039 0 0 0 0 -4 32 471 0 0 2 1 0 0 0 2 2 6 3 0 0 3 0 9 0 0 0 0 0 0 12 1 13 2 12 13 2 1 0 6 0 0 0 11 3 0 8 0 0 6 14 8 0 0 # 84.1 4.74667 -0.04 # ASN Env_3d4q_26 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 6 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 2 0 0 0 0 0 0 0 0 0 0 0 -0.0366 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 1 1 2 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 2 4 1 2 0 0 1 3 0 0 0 0 0 -3.4795 13 7 3 3 0 0 0 2.5 0.5 3 2 7 310.916 0 0 0 0.5 -2 17 92 0 0 0 3 0 0 0 2 2 2 2 0 0 1 0 0 0 0 0 1 0 0 6 3 2 2 6 2 2 3 0 0 3 0 1 1 0 0 8 0 0 3 2 8 0 0 2 17 2 3 0 0 1 1 1 1 0 0 0 -2.8021 28 21 4 3 0 0 1 3.5 0.5 1.5 3 10 783.126 0.333 0.333 0 0.833 6 37 72 1 0 0 1 0 0 1 3 5 6 6 0 0 2 0 0 2 0 0 1 0 0 16 2 7 3 16 5 5 2 0 0 8 0 2 3 1 0 14 0 0 8 6 14 0 0 8 17 0 4 0 0 0 6 1 0 0 0 0 -1.572 36 25 4 7 0 0 0 4 0 6.5 0 22 951.537 0.999 0.999 0 0.999 -1 27 296 2 0 0 3 0 0 3 1 3 10 9 0 0 0 0 0 1 0 0 4 0 0 25 6 4 1 25 2 3 6 0 0 11 0 5 2 1 0 17 0 0 11 8 17 0 0 # 75.74 5.09667 1.11167 # PHE Env_3d4q_27 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 4 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 72 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 0 0 0 0 0 4 0 1 0 0 0 4 1 0 0 1 0 0 0 0 0 0 1 1 1 0 0 0 -1.2358 4 1 0 3 0 0 1 0 0 1.5 0 1 63.367 0.666 0.666 0 0.666 -3 9 31 0 0 0 0 0 0 2 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 2 1 0 1 1 0 2 0 0 2 0 0 0 1 0 1 0 0 2 1 1 0 0 2 9 2 3 0 1 0 0 2 0 0 0 0 -2.4422 19 13 4 2 0 0 0 3 1 1 2 7 536.139 1.666 0.666 1 1.666 3 30 556 1 0 1 2 0 0 4 0 0 0 4 1 0 5 0 1 0 0 0 0 0 0 10 7 2 0 10 2 1 6 0 0 5 0 0 1 7 0 6 0 0 5 8 6 0 0 5 11 3 2 0 0 0 5 1 0 0 0 0 -2.6143 27 19 2 6 0 0 0 2 0 5.5 3 14 677.858 0.666 0.666 0 0.666 0 30 727 7 0 1 5 0 0 2 0 0 0 3 1 0 4 0 4 0 0 0 0 0 0 14 8 5 0 14 5 1 7 0 0 7 0 0 1 10 0 9 0 0 7 11 9 0 0 3 7 4 4 0 0 0 5 0 0 0 0 0 -4.1173 23 14 4 5 0 0 0 4 0 5 4 14 555.202 0 0 0 0 -1 26 639 1 0 5 1 0 0 1 1 1 1 1 1 0 9 0 0 0 0 0 1 0 0 13 3 6 1 13 6 2 2 0 0 10 0 0 3 4 0 6 0 0 10 7 6 0 0 # 78.07 -1.55 -1.44 # GLY