# EXCLUDED_RESIDUES HETATM # PDBID_LIST 1sqt # POINT_FILE ../DUDE/pocket_res_ptf_tian/1sqt_UI3_A_1001.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_1sqt_0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 27 120 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 6 0 0 0 0 0 0 6 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 61 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 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 4 8 5 2 0 0 0 2 0 0 0 0 0 -1.0666 21 17 2 2 0 0 0 2 0 2 6 10 567.114 0 0 0 0 6 27 309 4 0 0 0 0 0 0 1 0 0 4 0 0 0 0 0 0 4 6 2 0 0 10 0 10 1 14 7 0 0 0 0 0 0 0 7 6 4 4 0 0 0 17 4 0 0 3 11 1 6 0 0 0 3 1 1 1 0 0 -4.9878 27 15 6 5 1 0 1 6 0 3.5 1 15 672.78 0.333 0.333 0 0.333 -2 33 904 1 1 0 0 0 0 4 3 2 0 4 0 2 0 0 0 0 1 2 7 0 0 14 5 5 3 15 5 3 4 0 4 0 0 0 12 2 8 1 0 0 4 22 1 0 0 7 11 1 1 0 0 1 7 0 1 1 0 0 -1.2215 30 19 2 8 1 0 1.5 1.5 0.5 7 2 18 769.68 0.333 0.333 0 0.833 -5 23 1149 0 2 0 0 1 0 3 2 6 0 0 0 2 0 2 4 2 0 3 3 0 0 7 5 16 2 7 12 8 3 0 3 0 0 0 21 2 4 0 0 0 3 27 0 0 0 # 21.1533 22.2517 26.19 # TRP Env_1sqt_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 20 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 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 40 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 2 0 0 0 0 0 0 2 0 0 0 2 0 0 1 0 0 0 3 0 0 0 0 0 -0.9249 6 2 1 3 0 0 0 1 0 3 0 6 115.639 0 0 0 0 -4 0 194 2 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 3 0 3 0 4 2 0 0 0 0 0 0 0 5 0 1 0 0 0 0 6 0 0 0 4 9 0 3 0 0 0 2 1 0 0 0 0 -1.1407 19 13 3 3 0 0 0 3 0 2.5 0 12 502.235 0.666 0.666 0 0.666 -2 12 898 0 0 0 4 2 0 0 0 0 3 1 4 0 0 0 0 4 1 0 0 0 0 4 8 7 0 5 6 4 4 0 0 0 0 7 3 0 1 8 0 0 0 11 8 0 0 3 9 0 1 0 0 0 4 1 0 0 0 0 -2.0577 18 12 1 5 0 0 0 1 0 4.5 0 11 476.37 0.333 0.333 0 0.333 -1 13 670 0 0 0 4 1 0 0 0 0 4 4 1 0 0 0 1 1 2 0 0 0 0 8 5 5 0 10 3 1 4 0 0 0 0 8 5 0 2 3 0 0 0 15 3 0 0 3 7 3 5 0 0 0 3 1 2 1 0 0 -4.483 25 13 5 6 1 0 2.5 5 0 3.5 3 11 582.918 0.333 0.333 0 0.333 -5 33 1507 0 0 0 2 2 2 0 3 0 1 1 5 0 0 0 3 2 4 0 0 0 0 2 7 13 3 6 12 5 2 0 0 0 0 1 5 4 5 10 0 0 0 15 10 0 0 # 16.39 23.69 40.44 # ALA Env_1sqt_2 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 2 137 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 1 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 3 411 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 3 0 0 0 0 0 3 0 0 0 1 0 0 2 0 0 0 1 0 0 0 0 0 -0.9026 4 1 2 1 0 0 0 2 0 1 0 4 73.278 0 0 0 0 -3 0 466 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 1 3 0 0 3 0 1 0 0 0 0 0 0 3 0 1 0 0 0 3 1 0 0 1 2 0 1 0 0 0 0 1 0 0 0 0 -0.7857 5 3 1 1 0 0 0 1 0 0.5 0 3 128.804 0.333 0.333 0 0.333 -1 4 316 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 2 3 0 0 3 0 2 0 0 0 0 0 0 2 1 2 0 0 0 3 2 0 0 4 4 0 1 0 0 0 3 0 0 0 0 0 0.1687 12 8 1 3 0 0 0 1 0 3 0 6 301.129 0.333 0.333 0 0.333 -3 12 852 0 0 6 3 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 3 9 0 0 9 0 3 0 0 0 0 0 0 3 6 3 0 0 0 9 3 0 0 0 0 0 2 0 0 0 1 1 1 0 0 0 -2.8691 5 0 2 3 0 0 1 2 0 1.5 0 3 71.062 0.333 0.333 0 0.333 -5 5 453 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 2 3 0 0 3 0 2 0 0 0 0 0 0 1 2 2 0 0 0 3 2 0 0 # 24.6 19.93 47.76 # THR Env_1sqt_3 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 1 0 0 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 2 0 0 0 0 0 0 2 0 0 0 2 0 0 1 0 0 0 3 0 0 0 0 0 -0.9463 6 2 1 3 0 0 0 1 0 3 0 6 115.639 0 0 0 0 -4 0 96 3 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 3 1 2 0 3 2 1 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 2 8 2 2 0 0 0 1 0 1 0 0 0 -2.4892 16 12 2 2 0 0 1 2 0 1 3 7 432.136 0 0 0 0 3 30 204 1 0 0 0 1 0 0 1 0 0 5 2 0 0 0 0 0 0 4 2 0 0 8 2 5 1 8 6 2 0 0 0 0 0 0 16 0 0 0 0 0 0 16 0 0 0 5 15 3 3 0 0 0 4 0 0 0 0 0 -1.3749 30 23 3 4 0 0 0 3 0 4 3 15 832.208 0 0 0 0 6 27 320 3 0 0 0 3 0 0 3 0 4 7 1 0 0 1 0 0 0 4 4 0 0 19 1 7 3 19 10 1 0 0 0 0 0 0 30 0 0 0 0 0 0 30 0 0 0 4 17 0 5 0 0 0 3 1 0 3 0 0 -4.1802 33 21 5 4 3 0 1.5 5 0 3.5 0 18 902.577 0.333 0.333 0 0.333 -1 31 498 0 0 0 2 7 0 0 0 0 6 6 2 0 0 3 0 1 0 2 4 0 0 19 4 10 0 19 10 2 2 0 0 0 0 1 30 0 0 2 0 0 0 31 2 0 0 # 9.95 21.75 30.25 # ALA Env_1sqt_4 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 8 252 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 84 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 1 0 0 0 1 0 0 0 0 0 -0.4468 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 284 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 0 0 2 0 2 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 2 2 0 1 0 0 0 1 2 0 0 0 0 -1.0941 8 4 1 3 0 0 0 1 0 2 0 4 175.014 0.999 0.999 0 0.999 -3 9 510 0 0 2 3 0 0 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 5 3 0 0 3 0 5 0 0 0 0 0 0 1 4 3 0 0 0 5 3 0 0 0 4 0 3 0 0 0 0 0 1 0 0 0 -2.5657 8 4 3 1 0 0 1 3 0 0 0 4 193.608 0 0 0 0 -1 8 543 0 0 0 2 0 0 1 0 0 2 0 0 0 0 0 1 2 0 0 0 0 0 2 3 3 0 2 3 0 3 0 0 0 0 2 0 3 1 2 0 0 0 6 2 0 0 5 10 0 1 0 0 0 4 2 1 0 0 0 -1.3051 23 15 1 7 0 0 1 1 0 5 0 12 595.263 0.999 0.999 0 0.999 -3 23 1412 0 0 0 1 0 0 4 1 0 5 0 3 0 0 0 4 5 0 0 0 0 0 5 8 9 1 5 10 3 5 0 0 0 0 4 0 9 5 5 0 0 0 18 5 0 0 # 19.4133 19.0167 47.82 # ASN Env_1sqt_5 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 6 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 12 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 2 1 2 0 0 0 1 1 0 0 0 0 -1.0055 9 5 2 2 0 0 0 2 0 1.5 1 4 201.535 0.666 0.666 0 0.666 -2 10 101 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 3 0 2 0 0 0 0 0 3 6 0 2 3 1 3 0 0 0 0 0 6 0 0 3 0 0 0 6 3 0 0 2 3 2 2 0 0 2 4 1 1 0 0 0 -4.3299 17 7 4 6 0 0 1 2.5 1.5 4.5 4 10 348.968 0.333 0.333 0 0.833 -8 17 362 0 0 0 2 0 0 0 0 6 0 0 0 0 0 0 0 2 4 0 3 0 0 3 2 12 0 7 2 6 2 0 1 0 0 0 14 0 0 2 0 0 1 14 2 0 0 5 8 6 3 0 0 2 3 0 0 0 0 0 -0.3207 27 19 5 3 0 0 0 4 1 3 8 15 688.539 0 0 0 1 -4 32 402 1 0 0 3 0 0 0 0 7 2 0 0 0 0 0 0 2 4 4 4 0 0 7 3 17 0 11 6 7 3 0 2 0 0 0 21 0 0 4 0 0 2 21 4 0 0 4 17 6 8 0 0 1 3 0 1 1 0 0 -5.7322 41 27 9 4 1 0 1 8.5 0.5 3 7 20 1068.73 0 0 0 0.5 4 50 724 4 0 2 0 0 0 0 2 7 4 1 0 4 0 0 2 3 2 4 6 0 0 19 0 20 2 21 13 7 0 0 5 0 0 0 23 3 3 7 0 0 5 29 7 0 0 # 19.38 15.73 25.36 # SER Env_1sqt_6 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 33 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 -0.137 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 245 0 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 3 1 3 1 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 -1.1258 2 0 0 2 0 0 1 0 0 1 0 1 28.651 0 0 0 0 -2 6 27 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 2 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 2 0 0 0 2 6 4 2 0 0 0 3 0 0 0 0 0 -2.6006 17 12 2 3 0 0 0 2 0 3 5 9 412.105 0 0 0 0 2 23 676 0 4 0 0 0 0 0 2 0 0 0 0 0 0 1 0 0 7 1 2 0 0 3 4 8 2 10 3 4 0 0 0 0 0 0 16 1 0 0 0 0 0 17 0 0 0 5 5 5 2 0 0 0 2 0 0 0 0 0 0.3325 19 15 2 2 0 0 0 2 0 2 5 11 513.025 0 0 0 0 2 27 417 0 1 0 0 0 0 0 5 0 0 1 2 0 0 1 1 0 3 2 3 0 0 5 3 6 5 8 8 3 0 0 0 0 0 0 16 2 1 0 0 0 0 19 0 0 0 3 12 5 2 2 0 1 4 2 1 1 0 0 -5.6384 33 20 5 7 1 0 1.5 2.5 2.5 5 5 13 822.229 1.665 0.999 0.666 1.665 -3 57 1004 0 4 0 3 3 0 0 1 0 0 6 2 0 0 3 4 0 2 3 2 0 0 11 9 12 1 13 11 6 3 0 0 0 0 3 19 3 6 2 0 0 0 31 2 0 0 # 20.7 21.33 31.15 # GLY Env_1sqt_7 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 5 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 -0.3054 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 136 0 0 0 1 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 0 4 0 1 0 0 0 0 0 0 4 0 1 0 0 0 4 1 0 0 1 0 1 0 0 0 0 1 0 1 0 0 0 -1.0372 4 2 0 2 0 0 1 0 0 1 2 1 75.751 0 0 0 0 -1 15 311 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 1 0 3 0 0 0 1 3 0 0 3 6 2 4 0 0 0 2 0 0 0 0 0 -1.5125 17 11 4 2 0 0 0 4 0 2 2 12 434.168 0 0 0 0 -1 11 706 0 0 0 3 2 4 0 3 0 0 0 1 0 0 0 1 0 0 2 1 0 0 1 4 9 3 1 12 1 3 0 0 0 0 0 1 5 0 11 0 0 0 6 11 0 0 4 4 4 2 0 0 0 4 2 1 1 0 0 -3.1612 22 12 2 7 1 0 1.5 2 0 5 4 10 488.562 0.999 0.999 0 0.999 -5 30 457 0 0 0 4 3 1 0 1 0 0 0 1 0 3 0 4 0 0 4 1 0 0 4 5 12 1 4 13 1 4 0 0 0 0 0 6 5 3 8 0 0 0 14 8 0 0 6 13 2 5 0 0 0 3 0 1 1 0 0 -2.4303 31 21 5 4 1 0 1.5 5 0 3 3 16 829.996 0 0 0 0 -4 40 779 0 0 0 0 6 2 0 3 0 1 0 6 0 2 0 1 0 0 8 2 0 0 5 6 17 3 5 20 6 0 0 0 0 0 0 14 3 2 12 0 0 0 19 12 0 0 # 20.38 10.57 36.89 # GLY Env_1sqt_8 0 0 0 0 0 0 0 0 0 0 1 0 0 -0.108 1 0 0 0 1 0 0.5 0 0 0 0 0 26.521 0 0 0 0 -1 2 19 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 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 -0.187 2 1 0 0 1 0 0.5 0 0 0 0 0 60.031 0 0 0 0 -1 3 31 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 3 0 1 0 0 0 1 0 0 0 0 0 -0.3797 6 4 1 1 0 0 0 1 0 1 0 5 159.671 0 0 0 0 -2 1 102 0 0 0 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 2 0 6 0 0 0 0 0 0 0 4 0 0 2 0 0 0 4 2 0 0 3 2 0 2 0 0 0 2 0 1 0 0 0 -0.9211 10 5 2 3 0 0 1 2 0 2 0 8 235.969 0 0 0 0 -4 5 304 0 0 0 0 4 1 0 1 0 1 0 0 0 0 0 3 0 0 0 0 0 0 1 0 8 1 1 9 0 0 0 0 0 0 1 3 2 0 4 0 0 0 6 4 0 0 1 7 0 3 0 0 0 1 1 0 0 0 0 -1.7523 13 8 3 2 0 0 0 3 0 1.5 0 7 323.191 0.666 0.666 0 0.666 -2 12 545 1 0 0 2 1 2 0 1 0 1 0 1 0 0 0 4 0 0 0 0 0 0 2 3 7 1 2 8 1 2 0 0 0 0 3 2 5 0 3 0 0 0 10 3 0 0 9 17 0 6 1 1 0 8 2 1 0 0 0 -5.5807 45 26 8 11 0 0 1 6.5 1.5 9 0 27 1138.47 1.999 0.666 1.333 1.999 -9 46 2392 3 5 4 6 0 5 0 3 0 3 3 8 0 0 0 5 0 0 0 0 0 0 9 19 14 3 9 17 13 6 0 0 0 0 8 14 7 4 12 0 0 0 33 12 0 0 # 20.85 19.27 38.11 # CYS Env_1sqt_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 20 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 1 0 0 0 0 0 0 0 0 0 0 0 0.2117 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 0 1 20 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 1 1 1 0 0 1 0 0 0 0 0 0 -0.5566 4 2 2 0 0 0 0 1.5 0.5 0 2 2 94.747 0 0 0 0.5 -2 8 134 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 2 0 0 0 0 2 0 0 0 0 2 2 0 0 0 2 1 1 3 0 0 1 3 0 0 1 0 0 -3.1085 12 4 4 3 1 0 0.5 3.5 0.5 3 2 8 244.602 0 0 0 0.5 -7 10 173 0 0 0 2 1 0 0 2 2 0 0 0 0 0 0 3 0 0 0 2 0 0 2 2 6 2 2 6 2 2 0 2 0 0 0 4 4 0 2 0 0 2 8 2 0 0 5 9 1 3 0 0 0 3 0 0 1 0 0 0.1618 22 15 3 3 1 0 0.5 3 0 3 1 17 593.133 0 0 0 0 -5 7 535 0 0 0 3 4 3 0 4 1 0 0 0 0 0 0 3 0 1 0 3 0 0 3 3 12 4 4 14 1 3 0 2 0 0 0 8 7 0 5 0 0 2 15 5 0 0 5 12 0 5 0 0 0 3 1 2 0 0 0 -2.9557 28 17 5 6 0 0 2 5 0 3.5 0 16 710.357 0.666 0.666 0 0.666 -5 23 780 1 0 0 2 6 3 0 3 3 0 0 0 0 0 0 2 0 3 1 4 0 0 5 2 18 3 8 15 3 2 0 6 0 0 0 11 4 0 7 0 0 6 15 7 0 0 # 20.62 12.51 31.86 # SER Env_1sqt_10 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 11 357 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 2 119 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 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0035 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 119 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 3 0 0 0 1 0 0 0 1 0 0 0 -0.4111 6 4 1 1 0 0 1 0 1 0 0 2 184.707 1 0 1 1 0 18 383 0 0 0 0 0 2 0 0 0 0 0 3 0 0 0 0 0 0 1 0 0 0 0 3 3 0 0 3 3 0 0 0 0 0 0 0 2 0 4 0 0 0 2 4 0 0 1 1 1 2 0 0 0 1 0 0 0 0 0 -1.2919 6 3 2 1 0 0 0 2 0 1 2 3 120.378 0 0 0 0 -1 11 398 0 0 0 0 0 2 0 1 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 1 4 1 0 5 1 0 0 0 0 0 0 0 3 0 3 0 0 0 3 3 0 0 1 2 2 0 0 0 0 4 0 0 1 0 0 -2.2554 10 5 0 4 1 0 0.5 0 0 4 2 6 226.069 0 0 0 0 -2 10 510 0 0 0 1 3 0 0 1 0 0 0 1 0 0 0 1 0 0 3 0 0 0 0 2 7 1 0 8 1 1 0 0 0 0 0 0 2 1 7 0 0 0 3 7 0 0 # 25.9567 13.7267 37.5867 # GLN Env_1sqt_11 0 0 0 0 0 0 0 0 0 0 1 0 0 -0.108 1 0 0 0 1 0 0.5 0 0 0 0 0 26.521 0 0 0 0 -1 2 12 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 1 0 0 -0.187 2 1 0 0 1 0 0.5 0 0 0 0 0 60.031 0 0 0 0 -1 3 31 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0.1454 4 3 1 0 0 0 0 1 0 0 0 3 114.667 0 0 0 0 -1 1 162 0 0 0 0 3 1 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 0 0 0 0 1 1 0 2 0 0 0 2 2 0 0 1 9 0 3 0 0 0 4 0 1 0 0 0 -3.7333 18 10 3 5 0 0 1 3 0 4 0 11 440.644 0 0 0 0 -2 14 772 0 0 0 0 4 3 0 0 0 2 0 4 0 0 0 5 0 0 0 0 0 0 2 4 12 0 2 12 4 0 0 0 0 0 2 2 6 0 8 0 0 0 10 8 0 0 6 6 0 3 0 1 0 5 1 0 0 0 0 -1.7442 22 12 4 6 0 0 0 3 1 5.5 0 16 549.648 1.333 0.333 1 1.333 -8 19 1160 0 0 4 1 2 3 1 2 0 0 0 5 0 0 0 4 0 0 0 0 0 0 0 7 13 2 0 15 5 2 0 0 0 0 0 4 6 5 7 0 0 0 15 7 0 0 7 12 0 8 0 0 0 4 1 0 0 0 0 -2.3636 32 19 8 5 0 0 0 8 0 4.5 0 22 771.106 0.999 0.999 0 0.999 -8 17 731 1 0 1 8 0 1 3 7 0 8 0 0 0 0 0 2 1 0 0 0 0 0 9 11 5 7 9 12 0 11 0 0 0 0 9 3 4 4 12 0 0 0 20 12 0 0 # 20.7 17.64 39.3 # CYS Env_1sqt_12 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 8 165 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 55 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 0 2 0 1 0 0 0 1 0 0 0 0 0 -1.2753 4 2 1 1 0 0 0 1 0 1 0 2 92.651 0 0 0 0 -1 4 278 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 0 0 2 0 2 0 0 0 0 0 0 0 2 2 0 0 0 2 2 0 0 5 2 0 3 0 0 0 2 0 0 0 0 0 0.5672 12 7 3 2 0 0 0 3 0 2 0 10 287.038 0 0 0 0 -4 3 1095 0 0 5 1 0 0 3 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 1 4 7 0 1 7 0 4 0 0 0 0 0 0 1 10 1 0 0 0 11 1 0 0 3 8 0 4 0 0 0 3 1 1 0 0 0 -3.316 20 11 4 5 0 0 1 4 0 3.5 0 13 501.226 0.333 0.333 0 0.333 -6 15 1706 0 0 1 1 0 0 4 0 0 0 2 4 0 0 0 2 5 0 1 0 0 0 2 9 9 0 2 9 4 5 0 0 0 0 0 0 7 8 5 0 0 0 15 5 0 0 3 9 3 3 0 0 0 3 1 0 0 0 0 -1.8808 22 15 3 4 0 0 0 3 0 3.5 3 11 553.84 0.666 0.666 0 0.666 -1 28 2079 0 0 0 0 0 0 2 0 0 0 3 4 0 0 2 2 0 0 9 0 0 0 5 6 11 0 5 11 4 2 0 0 0 0 0 0 2 11 9 0 0 0 13 9 0 0 # 21.7667 15.2767 47.8433 # ASP Env_1sqt_13 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 27 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 0 0 0 1 0 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.062 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 0 7 54 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 0 0 0 2 0 0 0 0 2 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 -1.7398 4 1 0 3 0 0 0 0 0 3 0 2 67.992 0 0 0 0 -2 6 262 0 0 0 1 0 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 2 2 0 0 2 1 1 0 0 0 0 0 0 2 0 2 0 0 0 2 2 0 0 3 4 0 2 0 0 0 0 0 0 0 0 0 0.3941 9 7 2 0 0 0 0 2 0 0 0 4 260.205 0 0 0 0 1 11 1015 0 0 0 1 0 4 0 0 0 0 0 1 0 0 0 1 0 0 2 0 0 0 0 2 7 0 0 7 1 1 0 0 0 0 0 0 5 2 2 0 0 0 7 2 0 0 3 7 1 2 0 0 0 4 0 0 1 0 0 -2.068 18 11 2 4 1 0 0.5 2 0 4 1 14 462.392 0 0 0 0 -4 8 1877 0 0 2 3 1 2 0 0 0 0 0 1 0 0 0 1 4 0 4 0 0 0 0 4 14 0 0 14 1 3 0 0 0 0 0 0 7 5 6 0 0 0 12 6 0 0 6 5 2 6 0 0 0 1 0 2 1 0 0 -0.3979 23 13 6 3 1 0 2.5 6 0 1 3 13 546.999 0.333 0.333 0 0.333 -8 25 1717 0 0 2 1 3 2 0 1 0 0 4 2 0 0 0 3 1 0 4 0 0 0 4 3 15 1 4 16 2 1 0 0 0 0 0 1 7 7 8 0 0 0 15 8 0 0 # 25.58 14.91 41.39 # LYS Env_1sqt_14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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_1sqt_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 20 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 -0.0679 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 205 0 1 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 0 4 1 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 -1.4519 2 0 1 1 0 0 0 0.5 0.5 1 0 1 35.923 0.333 0 0.333 0.333 -2 6 252 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 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 2 8 1 1 2 0 0 1 0 0 1 0 0 -1.1463 16 11 3 1 1 0 0.5 1.5 1.5 1 0 6 452.839 0.666 0 0.666 0.666 0 29 1228 0 7 0 0 4 0 0 2 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 7 4 2 3 6 7 0 0 0 0 0 0 16 0 0 0 0 0 0 16 0 0 0 0 5 0 2 0 0 0 1 0 1 0 0 0 -2.2017 9 5 2 2 0 0 1 2 0 1 0 5 224.475 0 0 0 0 -2 7 516 1 1 0 0 1 0 0 1 0 0 3 1 0 0 0 1 0 0 0 0 0 0 4 2 2 1 4 3 2 0 0 0 0 0 0 8 1 0 0 0 0 0 9 0 0 0 3 5 0 1 0 0 0 4 1 1 1 0 0 -2.2483 16 8 1 6 1 0 1.5 1 0 4.5 0 11 386.008 0.333 0.333 0 0.333 -7 14 600 3 0 0 1 1 0 0 1 0 0 2 4 0 0 0 3 0 0 1 0 0 0 5 5 5 1 5 6 4 1 0 0 0 0 1 10 3 0 2 0 0 0 14 2 0 0 # 22.95 23.08 36.5 # GLY Env_1sqt_16 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 5 126 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 0 0 0 3 0 0 0 0 0 0 0 0 -2.2547 3 0 3 0 0 0 0 1 2 0 0 0 69.437 0.666 0 0.666 0.666 -3 16 378 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 0 0 3 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0.4059 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 0 5 398 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 1 0 1 3 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 -0.8788 4 3 0 1 0 0 0 0 0 1 0 3 112.024 0 0 0 0 0 1 398 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 1 0 1 3 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 2 3 0 2 0 0 0 2 0 0 0 0 0 -1.1758 9 5 2 2 0 0 0 2 0 2 0 6 218.812 0 0 0 0 -1 8 423 0 1 0 0 1 0 0 4 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 1 1 4 3 5 1 0 0 0 0 0 0 8 0 1 0 0 0 0 9 0 0 0 0 7 0 0 0 0 0 0 0 0 0 0 0 -0.597 7 7 0 0 0 0 0 0 0 0 0 1 234.57 0 0 0 0 6 12 347 0 0 0 0 0 0 0 1 0 0 4 2 0 0 0 0 0 0 0 0 0 0 4 2 0 1 4 1 2 0 0 0 0 0 0 5 0 2 0 0 0 0 7 0 0 0 # 26.27 24.12 34.88 # ARG Env_1sqt_17 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 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 4 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 1 1 0 0 1 2 0 0 0 0 0 -0.5609 7 3 2 2 0 0 0 1 1 2 2 5 145.303 0 0 0 0 -4 8 65 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 3 1 2 0 0 2 0 4 1 5 2 0 0 0 0 0 0 0 7 0 0 0 0 0 0 7 0 0 0 1 3 8 1 0 0 0 3 0 0 1 0 0 -2.9151 17 12 1 3 1 0 0.5 1 0 3 8 8 409.464 0 0 0 0 2 34 243 0 0 0 0 1 0 0 2 0 0 1 0 0 0 1 0 0 10 2 0 0 0 2 0 13 2 12 5 0 0 0 0 0 0 0 16 1 0 0 0 0 0 17 0 0 0 5 12 4 5 0 0 0 1 0 2 1 0 0 -1.9755 30 21 5 3 1 0 2 5 0 1 5 14 799.895 0 0 0 0 3 38 292 0 0 0 0 3 0 0 3 0 0 3 0 3 0 1 5 0 1 9 2 0 0 9 0 18 3 10 20 0 0 0 0 0 0 0 25 3 2 0 0 0 0 30 0 0 0 5 13 5 5 0 0 0 7 0 0 1 0 0 -4.8636 36 23 5 7 1 0 0.5 5 0 7 6 21 894.576 0 0 0 0 -1 36 454 4 1 0 0 3 0 0 1 2 1 2 0 4 0 5 1 2 0 7 3 0 0 19 1 15 1 19 14 3 0 0 0 1 0 0 26 4 3 2 0 0 1 33 2 0 0 # 17.37 21.16 26.92 # VAL Env_1sqt_18 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 61 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 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 1 122 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 2 0 0 0 0 0 2 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.4946 2 1 1 0 0 0 0 1 0 0 0 1 47.647 0 0 0 0 -1 1 80 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 2 0 0 0 3 2 0 2 0 0 0 3 0 0 2 0 0 -0.9824 12 5 2 3 2 0 1 2 0 3 0 9 283.348 0 0 0 0 -6 7 554 0 0 2 0 6 0 0 0 0 1 0 0 0 0 0 2 1 0 0 0 0 0 1 0 11 0 1 11 0 0 0 0 0 0 1 5 3 2 1 0 0 0 11 1 0 0 1 9 0 2 0 0 0 1 0 0 0 0 0 -1.4803 13 10 2 1 0 0 0 2 0 1 0 7 374.868 0 0 0 0 2 11 774 1 0 3 0 1 0 0 3 0 1 2 0 0 0 0 0 2 0 0 0 0 0 4 0 6 3 4 9 0 0 0 0 0 0 1 6 2 3 1 0 0 0 12 1 0 0 4 10 0 4 0 1 0 3 0 1 0 0 0 -3.1118 23 14 5 4 0 0 1 4 1 3 0 11 608.198 1 0 1 1 0 25 1198 4 0 2 1 1 0 2 1 0 2 3 3 0 0 0 1 3 0 0 0 0 0 9 6 7 1 9 8 3 3 0 0 0 0 2 8 3 4 6 0 0 0 17 6 0 0 # 22.35 21.29 41.51 # SER Env_1sqt_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 11 141 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 3 0 0 0 0 0 0 0 0 0 3 0 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 94 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 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5753 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 1 53 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 2 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 1 1 0 0 0 3 4 1 2 0 0 1 1 2 1 1 0 0 -2.2044 16 8 3 4 1 0 1.5 2.5 0.5 2 2 7 374.017 0.999 0.999 0 1.499 -7 21 353 1 0 0 3 2 0 0 0 6 0 0 0 0 0 0 4 0 0 0 0 0 0 1 3 12 0 1 6 6 3 0 6 0 0 0 4 2 0 4 0 0 6 6 4 0 0 4 7 2 3 0 0 1 2 0 2 1 0 0 -1.481 22 13 4 4 1 0 2.5 3.5 0.5 2 3 12 562.523 0 0 0 0.5 -7 23 336 3 0 0 1 3 0 0 1 4 0 0 0 0 0 0 5 1 1 1 2 0 0 5 1 15 1 6 11 4 1 0 3 0 0 0 11 3 0 5 0 0 3 14 5 0 0 3 8 1 4 0 0 0 4 0 0 0 0 0 -3.2695 20 12 4 4 0 0 0 4 0 4 2 15 484.724 0 0 0 0 -5 13 223 1 0 0 3 3 0 0 1 0 0 0 0 0 1 0 2 3 2 2 2 0 0 4 3 12 1 6 11 0 3 0 5 0 0 0 5 4 0 6 0 0 5 9 6 0 0 # 22.31 12.14 28.48 # HIS Env_1sqt_20 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 9 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 27 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 1 0 0 2 0 0 0 2 0 0 0 0 0 -1.3838 5 1 2 2 0 0 0 2 0 2 0 5 84.772 0 0 0 0 -4 0 35 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 3 0 0 3 1 1 0 3 1 0 1 0 0 0 0 0 4 0 0 1 0 0 0 4 1 0 0 5 7 2 3 0 0 0 2 0 0 0 0 0 0.1397 19 14 3 2 0 0 0 3 0 2 2 15 520.561 0 0 0 0 -2 9 90 0 0 0 2 0 0 0 7 0 3 0 0 0 0 0 5 0 0 2 0 0 0 3 2 7 7 3 14 0 2 0 0 0 0 0 6 7 0 6 0 0 0 13 6 0 0 3 5 2 3 0 0 0 5 0 3 0 0 0 -4.2535 21 10 3 8 0 0 3 3 0 5 3 11 453.601 0 0 0 0 -7 26 106 0 0 0 1 0 0 0 1 0 3 0 0 0 0 3 7 0 1 4 1 0 0 7 1 12 1 8 12 0 1 0 0 0 0 0 15 3 0 3 0 0 0 18 3 0 0 6 13 2 7 0 0 0 4 2 1 0 0 0 -4.5002 35 21 7 7 0 0 1 7 0 5 2 21 867.167 0.999 0.999 0 0.999 -6 29 180 1 0 0 4 2 0 0 3 1 4 3 0 0 0 2 4 2 2 5 2 0 0 12 4 16 3 14 16 1 4 0 1 0 0 0 23 1 0 10 0 0 1 24 10 0 0 # 15.37 13.67 30.92 # VAL Env_1sqt_21 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 21 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 7 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 1 1 0 1 0 0 0 1 0 0 0 0 0 -0.4089 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 36 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 2 2 0 0 2 0 2 0 0 0 0 2 0 0 0 2 0 0 0 2 2 0 0 4 5 0 3 0 0 0 2 0 1 0 0 0 -0.5326 15 9 3 3 0 0 1 3 0 2 0 13 384.146 0 0 0 0 -6 3 172 2 0 0 2 2 0 0 2 0 0 0 0 0 0 1 4 2 0 0 0 0 0 3 2 8 2 3 10 0 2 0 0 0 0 2 7 0 0 6 0 0 0 9 6 0 0 4 10 0 3 0 0 0 5 0 1 1 0 0 -3.1158 24 14 3 6 1 0 1.5 3 0 5 0 16 612.699 0 0 0 0 -5 18 403 5 0 0 0 6 0 0 3 0 2 1 2 0 0 2 0 1 0 1 1 0 0 11 2 8 3 11 11 2 0 0 0 0 0 1 20 0 0 3 0 0 0 21 3 0 0 5 13 3 6 0 0 0 6 0 2 1 0 0 -5.1956 36 21 6 8 1 0 2.5 6 0 6 4 19 884.433 0 0 0 0 -4 43 804 4 1 0 3 3 0 0 2 0 5 3 0 0 0 2 0 4 3 3 3 0 0 17 4 13 2 20 12 1 3 0 0 0 0 4 19 1 2 10 0 0 0 26 10 0 0 # 15.52 21.4567 35.8067 # ASP Env_1sqt_22 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 53 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 7 106 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 -1.1172 3 1 0 2 0 0 0 0 0 2 0 2 56.498 0 0 0 0 -1 2 233 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 2 0 0 1 2 0 0 0 0 0 0 1 2 0 0 0 0 0 3 0 0 0 2 3 2 1 0 0 0 1 0 0 0 0 0 -0.2963 9 7 1 1 0 0 0 1 0 1 2 6 246.223 0 0 0 0 1 8 498 0 0 0 1 0 0 0 0 2 0 0 1 0 0 0 0 0 0 5 0 0 0 0 2 7 0 0 5 3 1 0 0 0 0 0 1 8 0 0 0 0 0 9 0 0 0 3 9 1 3 0 0 0 2 0 0 0 0 0 -1.0646 18 13 3 2 0 0 0 3 0 2 2 10 475.167 0 0 0 0 1 16 1304 0 3 0 3 0 0 0 0 2 0 0 3 0 0 2 0 0 0 5 0 0 0 2 9 7 0 2 5 8 3 0 0 0 0 0 5 13 0 0 0 0 0 18 0 0 0 4 6 7 4 0 0 0 3 2 1 0 0 0 -4.5236 27 17 4 6 0 0 1 4 0 4 7 12 632.393 0.999 0.999 0 0.999 -2 43 1509 0 3 0 3 0 1 1 1 2 0 2 2 0 0 3 0 0 0 9 0 0 0 5 9 12 1 5 11 7 4 0 2 0 0 0 7 16 2 0 0 0 2 25 0 0 0 # 22.49 30.59 30.8 # LYS Env_1sqt_23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 # 0 0 0 # TYR Env_1sqt_24 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 3 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 -0.2123 5 2 2 1 0 0 0 2 0 1 0 5 106.788 0 0 0 0 -3 0 10 0 0 0 0 0 0 0 3 0 0 0 0 0 0 1 0 0 0 0 1 0 0 2 0 0 3 2 3 0 0 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 -1.1427 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 4 5 2 2 0 0 0 2 2 2 0 0 0 -2.8712 19 11 2 6 0 0 2 2 0 3 3 8 442.62 0.999 0.999 0 0.999 -3 32 57 2 0 0 3 0 0 0 0 0 0 0 0 0 0 3 1 0 1 4 5 0 0 10 3 6 0 11 5 0 3 0 0 0 0 3 15 0 0 1 0 0 0 18 1 0 0 4 11 4 3 0 0 0 2 0 1 0 0 0 -1.7989 25 19 3 3 0 0 1 3 0 2 5 12 672.417 0 0 0 0 2 33 277 5 0 0 0 3 0 0 2 0 0 1 2 0 0 2 1 0 1 7 1 0 0 9 2 12 2 10 13 2 0 0 0 0 0 0 21 3 0 1 0 0 0 24 1 0 0 5 13 5 5 0 0 0 4 0 0 1 0 0 -3.4835 33 23 5 4 1 0 0.5 5 0 4 5 19 867.083 0 0 0 0 3 31 583 0 1 0 3 3 0 0 3 0 1 1 2 0 0 0 6 0 6 4 3 0 0 5 6 19 3 11 16 3 3 0 0 0 0 3 24 2 0 4 0 0 0 29 4 0 0 # 15.71 21.48 31.36 # GLY Env_1sqt_25 0 2 0 1 0 0 0 0 0 0 0 0 0 -0.2429 3 2 1 0 0 0 0 1 0 0 0 1 81.157 0 0 0 0 1 3 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 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.0073 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 2 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 2 1 0 1 0 0 0 2 0 0 0 0 0 -0.496 6 3 1 2 0 0 0 1 0 2 0 6 137.655 0 0 0 0 -3 0 162 0 0 0 0 0 0 0 1 0 0 0 3 0 0 2 0 0 0 0 0 0 0 2 3 0 1 2 1 3 0 0 0 0 0 0 6 0 0 0 0 0 0 6 0 0 0 2 4 6 1 0 0 0 3 0 1 1 0 0 -3.3148 18 12 1 4 1 0 1.5 1 0 3 7 6 439.552 0 0 0 0 3 43 411 2 0 0 2 1 0 0 2 0 1 0 2 0 0 0 0 0 2 6 0 0 0 3 4 9 2 5 9 2 2 0 0 1 0 0 7 8 2 0 0 0 1 17 0 0 0 4 10 5 4 0 0 0 1 0 0 1 0 0 -1.5239 25 19 4 1 1 0 0.5 4 0 1 6 12 671.493 0 0 0 0 4 34 490 5 0 0 2 4 0 0 1 0 3 1 1 0 0 0 0 0 2 4 2 0 0 11 3 10 1 13 9 1 2 0 0 0 0 0 17 6 2 0 0 0 0 25 0 0 0 6 11 5 4 0 0 0 6 2 1 0 0 0 -3.8796 35 22 4 9 0 0 1 4 0 7 5 19 848.403 0.999 0.999 0 0.999 -3 40 1208 2 2 0 5 6 0 0 1 0 0 1 3 0 0 0 0 0 3 10 2 0 0 5 10 19 1 8 17 5 5 0 0 4 0 3 12 13 2 1 0 0 4 30 1 0 0 # 15.526 26.346 31.062 # PRO Env_1sqt_26 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 11 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 1 0 0 0 0 0 0 0 0 0 0 0 0.2117 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 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 1 1 0 1 0 0 0 0 1 1 0 0 0 -1.2026 5 2 1 2 0 0 1 1 0 0.5 0 3 112.451 0.333 0.333 0 0.333 -3 9 40 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 3 0 0 1 0 0 0 0 1 4 0 0 4 0 1 0 0 0 0 1 1 0 0 3 0 0 0 2 3 0 0 3 6 2 1 0 0 0 2 0 0 0 0 0 -0.7679 14 11 1 2 0 0 0 1 0 2 3 6 365.895 0.333 0.333 0 0.333 3 23 82 0 0 0 4 1 0 0 1 0 1 0 0 0 0 0 1 0 0 3 3 0 0 4 4 5 1 4 6 0 4 0 0 0 0 4 8 0 0 2 0 0 0 12 2 0 0 3 8 2 2 0 0 0 2 2 0 0 0 0 -2.3612 19 13 2 4 0 0 0 2 0 3 2 8 488.257 0.999 0.999 0 0.999 2 24 77 0 0 0 5 3 0 0 2 0 4 0 0 0 0 0 0 0 0 2 3 0 0 7 5 5 2 7 7 0 5 0 0 0 0 2 10 0 0 7 0 0 0 12 7 0 0 7 14 1 9 0 0 0 6 1 0 1 0 0 -5.5322 39 22 9 7 1 0 0.5 9 0 6.5 1 29 961.144 0.333 0.333 0 0.333 -10 20 432 2 0 0 6 2 1 0 3 0 4 1 0 0 0 2 3 3 4 1 7 0 0 16 6 14 3 20 13 0 6 0 0 0 0 1 24 3 0 11 0 0 0 28 11 0 0 # 15.04 17.58 34.01 # SER