# EXCLUDED_RESIDUES HETATM # PDBID_LIST 3bqd # POINT_FILE ../DUDE/pocket_res_ptf_tian/3bqd_DAY_A_301.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_3bqd_0 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 11 102 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 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 -0.0644 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 34 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 1 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 -0.2771 2 1 0 0 1 0 0 0 0 0 0 0 60.031 0 0 0 0 2 4 48 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 1 3 0 1 0 0 0 2 0 0 0 0 0 -1.0091 7 4 1 2 0 0 0 1 0 2 0 5 171.165 0 0 0 0 -1 6 214 0 0 0 0 2 2 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 3 0 4 0 3 4 0 0 0 0 4 0 0 0 3 0 0 0 0 4 3 0 0 0 4 8 5 2 0 0 0 1 0 1 1 0 0 -1.5148 22 17 2 2 1 0 1 2 0 1 6 8 599.298 0 0 0 0 7 36 798 0 0 0 1 3 2 0 0 0 0 0 0 7 0 0 0 2 0 7 0 0 0 7 1 14 0 7 14 0 1 0 0 14 0 0 0 8 0 0 0 0 14 8 0 0 0 3 14 2 5 0 0 0 3 0 1 0 2 0 -3.8853 30 19 5 4 2 0 2 5 0 3 2 16 798.078 0 0 0 0 -3 37 1495 0 0 0 4 6 0 0 0 0 1 1 0 4 0 0 0 5 2 7 0 0 0 6 4 20 0 8 18 0 4 0 0 26 0 0 0 3 0 1 0 0 26 3 1 0 0 # 46.47 27.11 14.16 # GLN Env_3bqd_1 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 11 105 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 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 -0.0644 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 35 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 -0.4186 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 2 4 95 0 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 2 0 1 2 0 0 0 0 2 0 0 0 0 0 1 0 0 2 0 1 0 0 1 4 0 1 1 0 0 3 0 0 0 0 0 -2.2007 10 5 2 3 0 0 0 1.5 0.5 3 0 5 240.598 0.333 0 0.333 0.333 -1 14 270 0 1 0 0 0 3 0 0 0 0 5 0 0 1 0 0 0 0 0 0 0 0 6 1 3 0 6 3 1 0 0 0 7 0 0 1 0 0 2 0 0 7 1 2 0 0 5 9 1 3 1 0 0 3 0 0 1 0 0 -1.6875 23 15 4 3 1 0 0 3.5 0.5 3 0 15 617.562 0.666 0 0.666 0.666 -1 23 932 1 6 0 0 0 0 0 3 0 0 9 0 1 1 0 0 0 0 0 2 0 0 14 6 0 3 14 3 6 0 0 0 16 0 0 1 0 0 6 0 0 16 1 6 0 0 4 13 2 6 4 0 0 3 0 0 0 0 0 -4.2291 32 19 10 3 0 0 0 7 3 3 1 18 826.09 0.999 0 0.999 0.999 -5 44 2061 5 8 0 0 0 0 2 3 0 0 0 0 2 3 0 0 0 0 3 6 0 0 16 10 3 3 16 6 8 2 0 0 16 0 0 6 0 0 10 0 0 16 6 10 0 0 # 33.7333 36.3467 6.97667 # GLN Env_3bqd_2 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 5 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 1 3 0 1 0 0 0 0 0 0 0 0 0 0.0709 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 5 25 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 5 0 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 1 1 0 1 0 0 0 2 0 0 0 0 0 -1.3662 5 2 1 2 0 0 0 1 0 2 0 4 104.145 0 0 0 0 -2 3 73 0 0 0 0 0 0 0 0 0 0 2 0 1 0 0 1 0 1 0 0 0 0 3 0 2 0 4 1 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 2 4 0 1 0 0 0 2 0 0 0 0 0 -0.4865 9 6 1 2 0 0 0 1 0 2 0 8 238.185 0 0 0 0 -2 4 132 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 5 0 2 0 0 0 0 2 0 7 0 4 5 0 0 0 0 9 0 0 0 0 0 0 0 0 9 0 0 0 0 2 14 3 6 0 1 0 2 0 2 1 0 0 -5.1583 31 19 7 4 1 0 2 6 1 2 3 13 817.878 1 0 1 1 4 42 410 4 0 0 0 0 0 0 0 0 0 3 4 8 2 0 5 0 5 0 0 0 0 17 4 10 0 22 5 4 0 0 0 31 0 0 0 0 0 0 0 0 31 0 0 0 0 5 16 7 1 0 0 0 5 0 0 0 0 0 -1.7655 34 28 1 5 0 0 0 1 0 5 7 17 937.196 0 0 0 0 8 45 295 6 0 0 0 0 1 0 0 0 0 10 4 2 4 0 1 0 5 0 1 0 0 23 4 7 0 28 2 4 0 0 0 34 0 0 0 0 0 0 0 0 34 0 0 0 0 # 35.3 29.8 -0.89 # LEU Env_3bqd_3 0 0 0 0 0 0 0 0 0 0 1 0 0 -0.2736 1 0 0 0 1 0 0 0 0 0 0 0 26.521 0 0 0 0 1 3 14 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 -0.0518 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 6 28 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 -1.515 3 1 1 1 0 0 0 1 0 1 0 0 69.433 0 0 0 0 -1 9 82 0 0 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 2 0 1 2 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 2 4 2 1 0 0 0 1 0 0 0 0 0 -0.5034 10 8 1 1 0 0 0 1 0 1 2 4 266.802 0 0 0 0 3 19 367 0 0 0 0 0 1 0 0 0 2 0 0 2 0 0 0 3 2 0 0 0 0 4 0 6 0 6 4 0 0 0 0 8 0 0 0 0 0 2 0 0 8 0 2 0 0 3 10 3 2 0 0 0 3 0 1 1 0 0 -1.785 23 16 2 4 1 0 1 2 0 3 3 10 609.743 0 0 0 0 3 27 1338 0 0 0 0 2 1 0 0 0 3 0 0 3 0 0 0 6 8 0 0 0 0 6 0 17 0 14 9 0 0 0 0 18 0 0 0 3 0 2 0 0 18 3 2 0 0 3 13 4 5 0 0 0 2 0 2 1 1 0 -4.8915 31 20 5 4 2 0 2.5 5 0 2 4 14 814.692 0 0 0 0 0 43 1420 0 2 2 0 3 1 0 0 0 6 1 0 5 0 0 0 5 3 3 0 0 0 12 2 17 0 15 14 2 0 0 0 22 0 0 0 7 1 1 0 0 22 8 1 0 0 # 44.4 26.86 17.17 # MET Env_3bqd_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 21 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 1 3 0 1 0 0 0 0 0 0 0 0 0 0.0709 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 5 105 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 5 0 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 1 1 0 1 0 0 0 2 0 0 0 0 0 -1.3662 5 2 1 2 0 0 0 1 0 2 0 4 104.145 0 0 0 0 -2 3 95 1 0 0 0 0 0 0 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 4 0 0 1 4 1 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 2 3 0 2 0 0 0 2 0 0 0 0 0 -0.7304 9 5 2 2 0 0 0 2 0 2 0 9 218.812 0 0 0 0 -4 0 107 7 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 8 0 0 1 8 1 0 0 0 0 9 0 0 0 0 0 0 0 0 9 0 0 0 0 3 11 4 4 0 0 0 4 0 1 1 0 0 -3.9508 28 18 4 5 1 0 1 4 0 4 4 14 715.484 0 0 0 0 3 31 520 2 2 0 0 2 0 0 2 0 0 1 0 6 9 0 3 0 1 0 0 0 0 18 2 6 2 19 7 2 0 0 0 20 0 0 8 0 0 0 0 0 20 8 0 0 0 6 19 3 3 1 0 0 2 0 0 1 0 0 -0.2707 35 28 4 2 1 0 0 3 1 2 2 17 1023.87 0.333 0 0.333 0.333 8 41 810 0 6 0 0 3 1 0 0 0 0 7 0 5 7 0 1 0 3 0 2 0 0 21 6 8 0 24 5 6 0 0 0 21 0 0 14 0 0 0 0 0 21 14 0 0 0 # 41.26 35.06 4.28 # LEU Env_3bqd_5 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 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 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 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 1 2 0 1 0 0 0 3 1 0 0 0 0 -2.2536 8 3 1 4 0 0 0 1 0 3.5 0 5 163.286 0.333 0.333 0 0.333 -4 5 298 1 0 0 1 0 0 0 0 0 0 2 0 0 2 2 0 0 0 0 0 0 0 7 1 0 0 7 0 0 1 0 0 0 0 0 4 3 0 1 0 0 0 7 1 0 0 6 11 0 4 0 0 0 1 0 0 0 0 0 1.119 22 17 4 1 0 0 0 4 0 1 0 16 624.781 0.333 0.333 0 0.333 0 11 1109 3 0 0 4 0 0 0 0 0 0 7 0 0 2 3 0 0 0 3 0 0 0 15 4 3 0 15 3 0 4 0 0 1 0 0 7 7 0 7 0 0 1 14 7 0 0 2 10 2 4 1 0 0 4 1 0 0 0 0 -6.5576 24 14 5 5 0 0 0 4.5 0.5 4.5 2 10 600.602 0.666 0.333 0.333 0.666 1 35 1251 1 1 0 3 2 1 0 0 0 1 7 0 0 1 2 0 0 0 4 1 0 0 13 4 7 0 13 7 1 3 0 0 4 0 0 6 5 0 9 0 0 4 11 9 0 0 3 9 7 1 1 0 0 3 0 0 0 1 0 -1.5116 25 19 2 3 1 0 0.5 1.5 0.5 3 7 7 649.59 0.666 0 0.666 0.666 4 54 1395 1 3 0 0 3 2 0 1 0 2 2 0 0 3 0 0 0 0 4 4 0 0 12 3 9 1 12 10 3 0 0 0 6 0 0 8 0 0 11 0 0 6 8 11 0 0 # 36.53 41.11 10.86 # ALA Env_3bqd_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 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 1 0 0 0 0 0 0 0 0 1 0 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 46 0 0 0 0 0 0 0 3 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 1 3 2 3 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 -1.7037 3 0 0 3 0 0 0 0 0 3 0 3 34.482 0 0 0 0 -3 0 26 1 0 0 0 0 0 0 0 0 0 1 0 0 1 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 5 13 0 4 0 0 0 3 0 2 0 0 0 -1.8186 27 18 4 5 0 0 2 4 0 3 0 16 728.524 0 0 0 0 -2 18 354 3 1 0 0 0 0 0 0 0 0 5 0 1 2 0 7 0 3 0 5 0 0 16 1 10 0 19 7 1 0 0 0 27 0 0 0 0 0 0 0 0 27 0 0 0 0 4 13 1 4 0 0 0 3 0 0 0 0 0 -2.3007 25 18 4 3 0 0 0 4 0 3 1 17 681.279 0 0 0 0 1 16 514 3 3 0 0 0 0 0 0 0 0 5 0 2 1 0 4 0 2 3 2 0 0 13 3 9 0 15 7 3 0 0 0 24 0 0 1 0 0 0 0 0 24 1 0 0 0 4 10 11 7 0 0 0 5 0 0 0 0 0 -5.2203 37 25 7 5 0 0 0 7 0 5 11 20 899.474 0 0 0 0 4 43 1056 3 2 0 0 1 0 0 0 0 0 10 0 3 5 0 2 0 3 8 0 0 0 21 2 14 0 24 11 2 0 0 0 33 0 0 3 0 0 1 0 0 33 3 1 0 0 # 43.98 36.36 1.02 # GLY Env_3bqd_7 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 93 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 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 -0.204 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 31 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 2 1 0 0 0 2 0 0 0 0 0 -1.8286 6 3 1 2 0 0 0 1 0 2 2 4 123.677 0 0 0 0 -1 9 257 0 0 2 0 0 0 1 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 3 1 2 0 3 2 0 1 0 0 3 0 0 0 0 0 3 0 0 3 0 3 0 0 4 3 4 0 0 0 0 2 0 0 0 0 0 0.4259 13 11 0 2 0 0 0 0 0 2 4 7 357.7 0 0 0 0 4 15 452 0 0 2 0 0 0 1 0 0 1 1 0 1 6 0 0 1 0 0 0 0 0 9 1 3 0 9 3 0 1 0 0 5 0 0 0 0 0 8 0 0 5 0 8 0 0 3 11 0 6 0 0 0 2 0 0 0 0 0 -2.4879 22 14 6 2 0 0 0 6 0 2 0 15 576.95 0 0 0 0 -2 13 829 0 0 0 0 0 0 2 0 0 3 5 0 4 2 2 0 4 0 0 0 0 0 16 2 4 0 16 4 0 2 0 0 13 0 0 0 0 0 9 0 0 13 0 9 0 0 3 21 1 5 0 0 0 4 0 2 1 1 0 -4.2618 38 25 5 6 2 0 2.5 5 0 4 1 17 1034.78 0 0 0 0 3 41 1175 0 0 0 0 4 0 1 3 0 6 5 0 7 2 1 0 9 0 0 0 0 0 21 1 13 3 21 16 0 1 0 0 32 0 0 0 0 0 6 0 0 32 0 6 0 0 # 37.8733 26.9133 14.5533 # ASN Env_3bqd_8 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 60 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 1 0 0 0 0 0 0 0 0 1 0 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 3 180 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 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 -1.0049 2 0 1 1 0 0 0 1 0 1 0 2 25.631 0 0 0 0 -2 0 207 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 4 5 0 2 0 0 0 3 0 0 0 0 0 -0.0068 14 9 2 3 0 0 0 2 0 3 0 12 364.346 0 0 0 0 -4 2 749 0 3 0 0 0 0 0 0 0 4 1 0 0 0 0 0 6 0 0 0 0 0 5 3 6 0 5 6 3 0 0 0 14 0 0 0 0 0 0 0 0 14 0 0 0 0 1 8 0 3 0 0 0 1 0 0 0 0 0 -1.6015 13 9 3 1 0 0 0 3 0 1 0 6 355.495 0 0 0 0 1 14 673 0 3 0 0 0 0 0 0 0 1 2 0 3 0 2 0 2 0 0 0 0 0 8 3 2 0 8 2 3 0 0 0 10 0 0 1 0 0 2 0 0 10 1 2 0 0 2 14 1 4 2 0 0 3 1 1 0 0 0 -4.7431 28 17 6 5 0 0 1 4.5 1.5 3.5 0 12 724.071 0.999 0.333 0.666 0.999 0 41 1707 0 3 1 1 0 0 0 0 0 3 6 0 5 0 2 1 1 2 1 2 0 0 18 4 6 0 20 4 3 1 0 0 20 0 0 1 0 0 7 0 0 20 1 7 0 0 # 38.13 34.44 19.71 # THR Env_3bqd_9 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1102 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 32 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 -0.5263 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 5 128 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 2 1 0 1 0 0 0 3 0 0 0 0 0 -1.3369 7 3 1 3 0 0 0 1 0 3 0 6 149.149 0 0 0 0 -3 3 207 0 0 1 0 0 0 0 0 0 1 3 0 1 0 0 0 1 0 0 0 0 0 5 0 2 0 5 2 0 0 0 0 7 0 0 0 0 0 0 0 0 7 0 0 0 0 2 3 1 1 0 0 0 1 0 0 0 0 0 -0.0077 8 6 1 1 0 0 0 1 0 1 1 7 219.702 0 0 0 0 -1 4 231 0 0 1 0 0 0 0 0 0 1 0 0 3 1 0 0 2 0 0 0 0 0 5 0 3 0 5 3 0 0 0 0 7 0 0 1 0 0 0 0 0 7 1 0 0 0 3 9 5 6 0 0 0 3 0 0 0 0 0 -3.7821 26 17 6 3 0 0 0 6 0 3 5 11 645.448 0 0 0 0 2 34 797 0 0 6 0 0 0 0 1 0 3 2 0 2 5 0 0 7 0 0 0 0 0 12 0 13 1 12 14 0 0 0 0 21 0 0 5 0 0 0 0 0 21 5 0 0 0 3 17 0 1 0 0 0 1 0 1 0 0 0 -0.275 23 20 1 2 0 0 1 1 0 1 0 8 712.988 0 0 0 0 10 35 808 0 2 0 0 0 0 0 1 0 4 7 0 6 1 0 0 2 0 0 0 0 0 18 2 2 1 18 3 2 0 0 0 16 0 0 6 1 0 0 0 0 16 7 0 0 0 # 39.69 32.31 13.73 # LEU Env_3bqd_10 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 53 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 19 212 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 2 0 0 0 0 0 0 0 0 0 0 0 -0.2802 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 4 107 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 1 0 0 0 1 0 0 0 0 0 1 0 0 1 0 1 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 -0.1087 4 4 0 0 0 0 0 0 0 0 0 1 134.04 0 0 0 0 3 4 215 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 3 1 0 0 3 0 1 0 0 0 1 0 0 0 0 0 3 0 0 1 0 3 0 0 5 3 0 4 0 0 0 7 0 0 0 0 0 -3.5459 19 8 4 7 0 0 0 4 0 7 0 15 402.447 0 0 0 0 -10 12 847 4 2 0 0 1 3 2 0 0 0 2 0 0 2 1 0 0 0 0 2 0 0 11 4 4 0 11 4 2 2 0 0 8 0 0 4 0 0 7 0 0 8 4 7 0 0 7 15 1 6 0 0 0 3 1 1 0 1 0 -2.3261 35 23 6 5 1 0 1.5 6 0 3.5 1 21 940.86 0.333 0.333 0 0.333 -4 31 1202 4 2 0 0 3 1 3 0 0 0 10 0 0 2 5 1 0 2 1 1 0 0 22 5 8 0 24 6 2 3 0 0 14 0 0 8 3 1 9 0 0 14 12 9 0 0 # 36.08 40.25 3.81 # ARG Env_3bqd_11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 -0.6869 6 6 0 0 0 0 0 0 0 0 6 0 153.184 0 0 0 0 6 21 306 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.6021 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 1 102 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 2 0 0 0 0 0 0 0 0 2 0 0 0 0 2 7 1 1 0 0 0 1 0 0 0 0 0 -0.4281 12 10 1 1 0 0 0 1 0 1 1 6 347.8 0 0 0 0 4 11 392 4 0 0 0 0 0 0 0 0 3 1 0 0 3 0 0 1 0 0 0 0 0 11 0 1 0 11 1 0 0 0 0 11 0 0 0 0 0 1 0 0 11 0 1 0 0 2 8 5 3 0 0 0 3 0 1 0 0 0 -3.052 22 15 3 4 0 0 1 3 0 3 5 11 561.755 0 0 0 0 2 30 927 1 0 0 0 1 0 0 0 0 3 4 0 0 8 0 0 5 0 0 0 0 0 16 0 6 0 16 6 0 0 0 0 16 0 0 0 0 0 6 0 0 16 0 6 0 0 7 6 1 5 0 0 0 5 0 0 0 1 0 -2.251 25 14 5 5 1 0 0.5 5 0 5 1 20 616.827 0 0 0 0 -7 11 966 0 0 0 1 2 0 3 0 0 4 4 0 0 8 1 0 2 0 0 0 0 0 17 4 4 0 17 4 0 4 0 0 18 0 0 0 0 0 7 0 0 18 0 7 0 0 # 34.7817 18.7883 14.245 # PHE Env_3bqd_12 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1102 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 5 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 4 0 1 0 0 0 0 0 0 0 0 0 -0.9383 5 4 1 0 0 0 0 1 0 0 0 2 148.177 0 0 0 0 2 8 25 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 5 0 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 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 43 1 0 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 1 7 0 2 0 0 0 2 0 0 0 0 0 -1.2735 12 8 2 2 0 0 0 2 0 2 0 8 319.342 0 0 0 0 -1 7 222 1 0 0 0 0 0 0 1 0 1 0 0 3 0 6 0 0 0 0 0 0 0 11 0 0 1 11 1 0 0 0 0 6 0 0 0 0 0 6 0 0 6 0 6 0 0 5 14 5 4 0 0 0 5 0 0 0 0 0 -3.0078 33 24 4 5 0 0 0 4 0 5 5 17 877.371 0 0 0 0 7 39 1062 2 0 1 0 0 0 5 5 0 5 0 0 2 6 1 0 0 3 0 3 0 0 19 5 4 5 22 6 0 5 0 0 26 0 0 0 0 0 7 0 0 26 0 7 0 0 4 12 7 5 0 0 1 3 0 0 1 0 0 -2.9925 33 23 6 3 1 0 0 5 1 3 8 16 849.259 0 0 0 0 4 47 1034 1 1 5 0 0 0 4 2 0 6 0 0 3 5 0 0 0 4 0 2 0 0 17 5 9 2 21 7 1 4 0 0 30 0 0 0 0 0 3 0 0 30 0 3 0 0 # 31.76 25.27 10.65 # LEU Env_3bqd_13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 1 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 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 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 4 2 1 0 0 0 1 0 0 0 0 0 -1.5353 9 7 1 1 0 0 0 1 0 1 2 4 246.223 0 0 0 0 3 14 21 0 0 0 0 0 0 0 0 0 0 2 1 1 3 0 0 0 0 2 0 0 0 6 1 2 0 6 2 1 0 0 0 9 0 0 0 0 0 0 0 0 9 0 0 0 0 4 23 1 2 0 0 0 4 0 0 2 0 0 -3.4149 36 28 2 4 2 0 0 2 0 4 2 13 1039.71 0 0 0 0 16 56 164 4 0 0 0 0 0 0 0 0 0 8 4 9 1 0 1 0 1 6 2 0 0 24 4 8 0 25 7 4 0 0 0 36 0 0 0 0 0 0 0 0 36 0 0 0 0 7 16 5 8 0 0 0 5 0 2 0 0 0 -4.3521 43 28 8 7 0 0 2 8 0 5 5 27 1096.33 0 0 0 0 -3 40 287 3 0 0 0 0 0 1 3 0 0 14 3 2 0 0 2 1 5 4 5 0 0 24 4 12 3 29 10 3 1 0 0 42 0 0 0 0 0 1 0 0 42 0 1 0 0 # 41.6417 33.375 -4.96333 # PHE Env_3bqd_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 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 21 192 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 2 0 0 0 0 0 0 0 0 0 0 0 -0.4462 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 4 64 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 1 0 0 1 0 0 0 0 0 1 1 0 0 0 0 8 0 1 0 0 0 1 0 0 0 0 0 -1.6689 10 8 1 1 0 0 0 1 0 1 0 3 293.711 0 0 0 0 5 16 192 0 0 0 0 0 0 0 0 0 1 7 0 0 2 0 0 0 0 0 0 0 0 10 0 0 0 10 0 0 0 0 0 5 0 0 5 0 0 0 0 0 5 5 0 0 0 3 12 0 3 0 0 0 3 0 0 1 0 0 -2.2007 22 15 3 3 1 0 0 3 0 3 0 12 606.064 0 0 0 0 4 22 254 1 0 0 0 4 0 0 0 0 3 11 0 1 2 0 0 0 0 0 0 0 0 18 0 4 0 18 4 0 0 0 0 4 0 0 18 0 0 0 0 0 4 18 0 0 0 3 16 0 3 0 0 0 3 0 1 0 1 0 -3.7304 27 19 3 4 1 0 1.5 3 0 3 0 14 757.261 0 0 0 0 2 29 513 1 0 0 0 2 0 0 0 0 7 12 0 4 0 0 1 0 0 0 0 0 0 24 0 3 0 24 3 0 0 0 0 13 0 0 13 1 0 0 0 0 13 14 0 0 0 # 41.835 35.4917 10.0767 # PHE Env_3bqd_15 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 10 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 30 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 2 2 0 1 0 0 0 1 0 0 0 0 0 -0.6131 6 4 1 1 0 0 0 1 0 1 0 4 159.671 0 0 0 0 0 6 127 0 0 0 0 0 0 0 1 0 0 4 0 1 0 0 0 0 0 0 0 0 0 5 0 0 1 5 1 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 2 3 0 1 0 0 0 3 0 0 0 0 0 -1.5506 9 5 1 3 0 0 0 1 0 3 0 8 226.461 0 0 0 0 -4 4 408 0 0 0 0 0 1 0 1 0 0 3 0 2 0 0 0 2 0 0 0 0 0 5 0 3 1 5 4 0 0 0 0 9 0 0 0 0 0 0 0 0 9 0 0 0 0 4 13 1 7 2 0 0 4 0 0 0 0 0 -4.0668 31 18 9 4 0 0 0 7.5 1.5 4 0 17 767.261 0.666 0 0.666 0.666 -4 34 1728 5 7 4 0 0 3 0 3 0 0 3 0 2 1 0 0 2 0 1 0 0 0 11 7 10 3 11 13 7 0 0 0 24 0 0 1 0 0 6 0 0 24 1 6 0 0 4 17 3 3 1 0 0 3 0 0 0 0 0 -2.3876 31 24 4 3 0 0 0 3.5 0.5 3 3 13 878.653 0.333 0 0.333 0.333 8 43 1302 2 3 1 0 0 3 0 3 0 0 8 0 1 6 0 0 3 0 1 0 0 0 17 3 8 3 17 11 3 0 0 0 14 0 0 12 0 0 5 0 0 14 12 5 0 0 # 34.74 34.98 12.6 # LEU Env_3bqd_16 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 13 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.123 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 0 1 13 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 2 0 0 0 0 0 1 0 0 0 0 0 -0.0154 4 3 0 1 0 0 0 0 0 1 0 3 112.024 0 0 0 0 0 3 40 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 3 0 1 3 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 0 5 7 2 0 0 0 1 0 0 0 0 0 -3.3024 15 12 2 1 0 0 0 2 0 1 7 4 392.965 0 0 0 0 8 41 278 0 0 0 0 1 0 0 0 0 2 2 0 1 7 0 0 0 2 0 0 0 0 12 0 3 0 14 1 0 0 0 0 12 0 0 0 0 0 3 0 0 12 0 3 0 0 4 7 7 2 0 0 0 3 0 0 1 0 0 -0.5529 24 18 2 3 1 0 0 2 0 3 7 10 619.766 0 0 0 0 7 36 597 0 0 1 0 0 0 0 0 0 2 7 0 1 9 0 0 0 2 2 0 0 0 19 0 5 0 21 3 0 0 0 0 22 0 0 0 0 0 2 0 0 22 0 2 0 0 4 16 8 6 0 0 1 4 0 1 0 0 0 -5.7041 40 28 7 5 0 0 1 6 1 4 9 17 1042.32 0 0 0 0 6 58 1345 0 0 6 0 0 1 0 0 0 3 7 0 2 9 0 0 6 3 3 0 0 0 21 0 19 0 24 16 0 0 0 0 38 0 0 0 0 0 2 0 0 38 0 2 0 0 # 38.77 22.48 9.75 # CYS Env_3bqd_17 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 17 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 1 0 0 0 0 0 0 0 0 1 0 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 34 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 2 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 1 0 0 0 2 0 1 0 0 0 -0.9149 6 2 1 3 0 0 1 1 0 2 0 5 121.302 0 0 0 0 -4 6 65 2 0 0 0 0 0 0 0 0 0 2 0 0 1 0 0 0 0 1 0 0 0 5 0 1 0 5 1 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 3 4 0 0 0 0 0 2 0 0 0 0 0 0.2555 9 7 0 2 0 0 0 0 0 2 1 7 244.627 0 0 0 0 -1 8 147 0 0 0 0 0 0 0 0 0 0 2 1 3 2 0 0 0 0 1 0 0 0 7 1 1 0 7 1 1 0 0 0 9 0 0 0 0 0 0 0 0 9 0 0 0 0 2 10 5 6 2 1 0 1 1 0 0 0 0 -4.4621 28 17 9 2 0 0 0 6.5 2.5 1.5 4 11 711.812 1.999 0.333 1.666 1.999 1 52 510 4 4 0 0 0 0 1 1 0 0 4 3 3 4 0 0 0 2 2 0 0 0 15 8 4 1 17 3 7 1 0 0 27 0 0 0 0 1 0 0 0 27 1 0 0 0 5 14 7 1 1 0 0 3 1 0 1 0 0 -2.2062 33 26 2 4 1 0 0 1.5 0.5 3.5 7 9 898.297 0.999 0.666 0.333 0.999 11 66 757 0 5 0 0 0 3 2 2 0 0 6 1 2 2 1 2 0 4 3 0 0 0 11 8 12 2 15 10 6 2 0 0 30 0 0 0 0 2 1 0 0 30 2 1 0 0 # 37.4 35.38 0.5 # ALA Env_3bqd_18 0 0 0 0 0 0 0 0 0 0 1 0 0 -0.2736 1 0 0 0 1 0 0 0 0 0 0 0 26.521 0 0 0 0 1 3 70 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 -0.0518 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 6 140 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0.0105 2 2 0 0 0 0 0 0 0 0 0 1 67.02 0 0 0 0 1 1 140 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 3 4 0 2 0 0 0 2 1 0 0 0 0 -0.8287 12 7 2 3 0 0 0 2 0 2.5 0 8 299.969 0.333 0.333 0 0.333 -3 8 552 0 0 1 0 0 0 1 0 0 0 0 0 3 1 5 0 1 0 0 0 0 0 9 1 2 0 9 2 0 1 0 0 5 0 0 0 0 0 7 0 0 5 0 7 0 0 4 6 0 2 0 0 0 4 0 0 0 0 0 -0.9283 16 10 2 4 0 0 0 2 0 4 0 12 396.419 0.333 0.333 0 0.333 -3 7 963 0 0 3 0 0 0 5 0 0 0 1 0 0 3 1 0 3 0 0 0 0 0 5 5 6 0 5 6 0 5 0 0 7 0 0 0 0 0 9 0 0 7 0 9 0 0 4 7 0 7 0 0 0 2 1 1 0 0 0 -3.0535 22 11 7 4 0 0 1 7 0 2.5 0 16 508.92 0.333 0.333 0 0.333 -9 12 1058 0 0 2 0 0 0 4 3 0 0 5 0 0 1 1 0 6 0 0 0 0 0 7 4 8 3 7 11 0 4 0 0 17 0 0 0 0 0 5 0 0 17 0 5 0 0 # 31.74 29.84 17.74 # MET Env_3bqd_19 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 8 180 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 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 -0.204 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 60 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 -0.8199 4 2 1 1 0 0 0 1 0 1 1 3 85.662 0 0 0 0 -2 4 268 0 0 2 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 0 0 2 1 1 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 3 1 2 1 0 0 2 2 0 0 0 0 0 -0.8251 11 6 3 2 0 0 0 2 1 2 4 7 252.981 0 0 0 1 -5 12 476 0 0 2 0 0 0 2 0 4 0 1 0 0 0 0 0 0 0 0 2 0 0 3 2 6 0 3 2 4 2 0 0 11 0 0 0 0 0 0 0 0 11 0 0 0 0 2 7 0 4 0 0 0 1 0 0 0 0 0 -1.1579 14 9 4 1 0 0 0 4 0 1 0 8 379.924 0 0 0 0 0 9 926 0 0 1 0 0 0 7 0 1 0 0 0 0 0 0 0 0 0 0 5 0 0 5 7 2 0 5 1 1 7 0 0 14 0 0 0 0 0 0 0 0 14 0 0 0 0 4 11 2 4 0 0 0 3 2 0 0 0 0 -4.0394 26 17 4 5 0 0 0 4 0 4 2 12 649.134 0.999 0.999 0 0.999 -1 37 1292 0 0 3 1 0 0 5 0 4 0 6 1 0 0 0 0 0 0 2 4 0 0 10 7 9 0 10 5 5 6 0 0 26 0 0 0 0 0 0 0 0 26 0 0 0 0 # 50.17 22.6733 3.21333 # ASN Env_3bqd_20 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 1 0 0 0 0 0 0 0 0 1 0 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 71 0 0 0 0 0 0 0 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 4 1 4 0 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 -1.7037 3 0 0 3 0 0 0 0 0 3 0 3 34.482 0 0 0 0 -3 0 73 0 0 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 1 0 2 1 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 4 8 0 3 0 0 0 1 0 0 0 0 0 0.4033 16 12 3 1 0 0 0 3 0 1 0 12 456.025 0 0 0 0 0 7 520 0 1 2 0 0 3 0 2 0 0 6 0 2 0 0 0 0 0 0 0 0 0 8 1 5 2 8 7 1 0 0 0 16 0 0 0 0 0 0 0 0 16 0 0 0 0 3 16 0 4 0 0 0 1 0 0 1 0 0 -2.5423 25 19 4 1 1 0 0 4 0 1 0 10 728.614 0 0 0 0 8 34 999 0 4 2 0 0 4 0 1 0 0 5 0 4 0 1 0 0 0 0 4 0 0 14 4 6 1 14 7 4 0 0 0 24 0 0 0 0 0 1 0 0 24 0 1 0 0 3 9 4 2 0 0 0 5 0 0 0 0 0 -3.4499 23 16 2 5 0 0 0 2 0 5 4 7 581.017 0 0 0 0 5 42 827 0 1 2 0 0 2 0 0 0 1 4 0 3 1 2 0 2 3 0 2 0 0 13 1 9 0 16 6 1 0 0 0 19 0 0 1 0 0 3 0 0 19 1 3 0 0 # 34.4 31.27 10.12 # GLY Env_3bqd_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 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 -1.1414 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 4 24 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 2 0 0 1 0 0 0 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 0 134 0 0 0 0 0 1 0 2 0 1 0 0 0 0 0 0 0 0 0 2 0 0 3 0 1 2 3 3 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 2 4 0 0 0 0 0 1 0 0 1 0 0 -0.1471 8 6 0 1 1 0 0 0 0 1 0 6 239.075 0 0 0 0 1 6 208 0 0 0 0 0 2 0 3 0 1 1 0 1 0 0 0 0 0 0 0 0 0 3 0 2 3 3 5 0 0 0 0 8 0 0 0 0 0 0 0 0 8 0 0 0 0 2 17 4 6 0 0 0 2 0 0 1 0 0 -4.0486 32 23 6 2 1 0 0 6 0 2 4 14 865.221 0 0 0 0 10 44 1099 4 4 0 0 0 2 0 2 0 5 4 0 4 0 0 0 0 5 0 2 0 0 19 4 7 2 24 4 4 0 0 0 32 0 0 0 0 0 0 0 0 32 0 0 0 0 5 13 4 2 0 0 1 2 0 0 0 0 0 -0.1113 27 22 3 2 0 0 0 2 1 2 5 12 775.163 0 0 0 0 7 38 650 4 1 0 0 0 1 0 1 0 3 3 0 4 0 0 0 0 8 0 2 0 0 16 1 9 1 24 2 1 0 0 0 27 0 0 0 0 0 0 0 0 27 0 0 0 0 # 31.06 28.8 6.01 # VAL Env_3bqd_22 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 27 138 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 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 69 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 3 0 0 0 0 0 0 0 0 3 0 0 0 0 1 8 0 1 0 0 0 0 0 0 1 0 0 -0.5454 11 9 1 0 1 0 0 1 0 0 0 4 342.248 0 0 0 0 6 16 210 0 0 0 0 0 0 0 0 0 0 2 0 5 0 0 0 0 3 0 1 0 0 8 0 3 0 11 0 0 0 0 0 11 0 0 0 0 0 0 0 0 11 0 0 0 0 1 12 0 1 0 0 0 2 0 0 0 1 0 -2.4822 17 13 1 2 1 0 0.5 1 0 2 0 4 499.276 0 0 0 0 8 25 226 0 0 0 0 1 0 0 0 0 4 4 0 4 0 0 0 0 2 0 2 0 0 14 0 3 0 16 1 0 0 0 0 17 0 0 0 0 0 0 0 0 17 0 0 0 0 5 13 2 3 0 0 0 6 0 0 1 0 0 -3.099 30 20 3 6 1 0 0 3 0 6 2 19 794.118 0 0 0 0 1 29 365 0 0 0 0 1 2 0 2 0 9 5 0 5 2 0 3 0 0 0 1 0 0 22 0 6 2 22 8 0 0 0 0 29 0 0 0 0 0 1 0 0 29 0 1 0 0 # 35.78 24.91 6.035 # TRP Env_3bqd_23 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 10 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 1 0 0 0 0 0 0 0 0 1 0 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 0 163 0 1 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 4 0 4 1 0 0 0 5 0 0 0 0 0 0 0 0 5 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 -0.5491 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 42 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 1 0 0 3 10 0 3 0 0 0 3 0 0 0 0 0 -1.131 19 13 3 3 0 0 0 3 0 3 0 11 512.523 0 0 0 0 1 12 801 0 4 1 0 0 1 0 2 0 0 5 0 2 0 2 0 0 0 0 2 0 0 11 4 2 2 11 4 4 0 0 0 17 0 0 0 0 0 2 0 0 17 0 2 0 0 3 13 0 5 0 0 0 1 0 0 0 0 0 -1.9916 22 16 5 1 0 0 0 5 0 1 0 15 618.339 0 0 0 0 1 14 741 0 1 1 0 0 3 0 0 0 4 5 0 2 0 2 0 0 0 0 4 0 0 17 1 4 0 17 4 1 0 0 0 20 0 0 0 0 0 2 0 0 20 0 2 0 0 5 12 1 5 1 0 0 4 0 0 3 0 0 -3.0559 31 18 6 4 3 0 0 5 1 4 1 17 812.994 0 0 0 0 2 35 1154 2 2 3 0 0 2 1 0 0 1 5 0 10 1 2 0 0 1 0 1 0 0 22 3 6 0 23 5 2 1 0 0 28 0 0 0 0 0 3 0 0 28 0 3 0 0 # 30.97 29.74 10.59 # GLY Env_3bqd_24 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 3 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 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 3 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 1 1 0 0 0 0 0 2 0 0 0 0 0 -0.5174 4 2 0 2 0 0 0 0 0 2 0 4 90.008 0 0 0 0 -2 0 9 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 3 0 1 3 0 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 2 8 0 5 0 0 0 2 0 0 0 0 0 -2.4298 17 10 5 2 0 0 0 5 0 2 0 8 426.134 0 0 0 0 -2 24 911 3 3 0 0 1 5 0 0 0 2 0 0 0 1 2 0 0 0 0 0 0 0 8 3 6 0 8 6 3 0 0 0 8 0 0 7 2 0 0 0 0 8 9 0 0 0 5 12 0 2 0 0 0 4 0 1 0 0 0 -1.5745 24 17 2 5 0 0 1 2 0 4 0 16 661.077 0 0 0 0 -1 13 973 0 3 0 0 0 1 0 0 0 4 5 0 0 3 5 3 0 0 0 0 0 0 17 3 4 0 17 4 3 0 0 0 7 0 0 11 5 0 1 0 0 7 16 1 0 0 4 11 3 7 2 0 0 4 0 0 0 0 0 -4.6423 31 18 9 4 0 0 0 7.5 1.5 4 2 17 760.272 0.666 0 0.666 0.666 -3 35 1028 1 4 0 1 0 3 0 0 0 2 12 0 0 3 0 4 0 0 0 1 0 0 19 5 7 0 19 7 4 1 0 0 12 0 0 11 1 1 6 0 0 12 13 6 0 0 # 41.34 43.22 7.31 # CYS Env_3bqd_25 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 18 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 0 0 0 1 0 0 0 0 1 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 -0.8386 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 4 72 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 0 0 0 4 0 0 0 0 4 0 0 2 2 0 1 0 0 0 1 0 0 0 0 0 -0.1994 6 4 1 1 0 0 0 1 0 1 0 4 159.671 0 0 0 0 0 5 269 0 0 0 0 0 0 1 0 0 3 0 0 0 0 0 1 1 0 0 0 0 0 3 1 2 0 3 2 0 1 0 0 1 0 0 0 0 0 5 0 0 1 0 5 0 0 0 2 2 2 0 0 0 2 0 1 0 0 0 -3.4275 9 4 2 3 0 0 1 2 0 2 2 5 198.773 0 0 0 0 -3 12 477 0 0 1 0 0 0 1 0 0 0 0 0 0 2 0 3 2 0 0 0 0 0 2 1 6 0 2 6 0 1 0 0 3 0 0 0 0 0 6 0 0 3 0 6 0 0 5 11 3 3 0 0 0 3 0 1 1 0 0 -0.2384 27 19 3 4 1 0 1 3 0 3 3 13 717.421 0 0 0 0 2 28 1527 0 0 1 0 0 0 3 0 0 0 0 0 9 4 0 1 7 2 0 0 0 0 13 3 11 0 15 9 0 3 0 0 15 0 0 0 0 5 7 0 0 15 5 7 0 0 3 11 5 4 0 1 0 3 0 1 1 0 0 -3.9685 29 19 5 4 1 0 1 4 1 3 5 13 758.079 1 0 1 1 6 42 1948 0 0 2 1 0 0 1 0 0 0 0 2 6 7 0 1 3 6 0 0 0 0 13 4 12 0 19 6 2 2 0 0 18 0 0 0 0 4 7 0 0 18 4 7 0 0 # 39.9 23.99 19.26 # ILE Env_3bqd_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 21 168 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 1 0 1 0 0 0 0 0 0 0 0 0 -0.9532 2 1 1 0 0 0 0 1 0 0 0 0 57.939 0 0 0 0 0 4 59 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 1 0 0 2 6 3 2 0 0 0 4 0 0 0 0 0 -2.7292 17 11 2 4 0 0 0 2 0 4 3 8 403.02 0 0 0 0 1 21 756 0 0 3 0 1 0 2 0 0 2 0 0 0 8 0 0 1 0 0 0 0 0 10 2 5 0 10 5 0 2 0 0 12 0 0 0 0 0 5 0 0 12 0 5 0 0 5 12 2 2 0 0 0 3 0 0 0 1 0 0.0361 25 19 2 3 1 0 0.5 2 0 3 2 15 711.989 0 0 0 0 1 22 789 0 0 1 0 3 0 2 0 0 5 2 0 0 6 2 0 4 0 0 0 0 0 15 2 8 0 15 8 0 2 0 0 15 0 0 0 0 0 10 0 0 15 0 10 0 0 3 14 2 7 0 0 0 6 0 1 0 0 0 -6.6415 33 19 7 7 0 0 1 7 0 6 2 19 807.792 0 0 0 0 -2 33 889 3 0 3 0 2 0 1 0 0 5 6 0 3 3 3 0 2 1 1 0 0 0 23 1 9 0 24 8 0 1 0 0 26 0 0 0 0 0 7 0 0 26 0 7 0 0 # 36.8633 23.4733 14.5183 # PHE Env_3bqd_27 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 21 144 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 0 1 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 24 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 9 0 2 0 0 0 1 0 0 0 0 0 -1.332 13 10 2 1 0 0 0 2 0 1 0 6 374.868 0 0 0 0 4 14 289 0 0 0 0 0 0 0 0 0 6 5 0 0 2 0 0 0 0 0 0 0 0 13 0 0 0 13 0 0 0 0 0 13 0 0 0 0 0 0 0 0 13 0 0 0 0 5 11 3 2 0 0 0 6 0 0 0 1 0 -2.8092 28 19 2 6 1 0 0.5 2 0 6 3 17 733.54 0 0 0 0 0 21 843 0 0 3 0 5 4 0 0 0 8 2 0 0 2 0 0 0 0 4 0 0 0 12 0 16 0 12 16 0 0 0 0 28 0 0 0 0 0 0 0 0 28 0 0 0 0 6 10 4 8 0 0 1 3 0 1 0 0 0 -3.7342 33 20 9 4 0 0 1 8 1 3 6 17 801.696 0 0 0 0 -3 45 1611 0 0 4 0 1 4 0 0 0 3 5 0 0 2 2 1 1 2 8 0 0 0 12 0 21 0 14 19 0 0 0 0 33 0 0 0 0 0 0 0 0 33 0 0 0 0 # 39.4617 17.445 7.43 # PHE Env_3bqd_28 0 0 0 0 0 0 0 0 0 0 1 0 0 -0.2736 1 0 0 0 1 0 0 0 0 0 0 0 26.521 0 0 0 0 1 3 36 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 -0.0518 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 6 72 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0.007 3 3 0 0 0 0 0 0 0 0 0 1 100.53 0 0 0 0 2 2 107 0 0 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 1 0 2 1 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 2 5 0 2 0 0 0 4 0 0 0 0 0 -2.084 13 7 2 4 0 0 0 2 0 4 0 10 308.82 0 0 0 0 -3 5 312 0 0 0 0 0 4 0 1 0 0 0 0 3 0 0 0 0 1 0 4 0 0 7 0 5 1 8 5 0 0 0 0 13 0 0 0 0 0 0 0 0 13 0 0 0 0 5 6 2 3 0 0 0 3 0 0 0 0 0 -1.562 19 13 3 3 0 0 0 3 0 3 2 10 495.906 0 0 0 0 0 25 340 2 0 0 0 0 4 0 2 0 0 4 0 1 0 0 0 0 4 0 2 0 0 9 0 8 2 13 6 0 0 0 0 19 0 0 0 0 0 0 0 0 19 0 0 0 0 5 12 3 10 0 0 0 5 0 0 1 0 0 -5.3812 36 20 10 5 1 0 0 10 0 5 3 26 862.71 0 0 0 0 -5 27 842 6 3 0 0 0 0 0 5 0 1 9 0 4 0 0 3 0 4 0 1 0 0 21 3 7 5 25 8 3 0 0 0 36 0 0 0 0 0 0 0 0 36 0 0 0 0 # 35.08 31.19 4.8 # MET Env_3bqd_29 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 6 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 3 0 1 0 0 0 0 0 0 0 0 0 -0.5263 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 5 24 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 2 1 0 1 0 0 0 2 0 0 0 0 0 -0.769 6 3 1 2 0 0 0 1 0 2 0 5 137.655 0 0 0 0 -2 3 124 0 0 1 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 1 0 0 5 0 1 0 5 1 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 2 4 3 2 0 0 0 2 0 0 0 0 0 -1.668 13 9 2 2 0 0 0 2 0 2 3 9 331.885 0 0 0 0 0 14 641 0 0 1 0 0 0 4 0 0 0 3 0 0 3 0 0 0 0 0 2 0 0 8 4 1 0 8 1 0 4 0 0 13 0 0 0 0 0 0 0 0 13 0 0 0 0 4 13 6 5 0 0 0 3 0 0 1 1 0 -3.5482 33 23 5 3 2 0 0.5 5 0 3 7 11 859.551 0 0 0 0 7 51 1547 0 0 10 0 4 0 2 0 0 0 1 0 4 5 0 0 0 0 5 2 0 0 12 2 19 0 12 19 0 2 0 0 33 0 0 0 0 0 0 0 0 33 0 0 0 0 4 9 5 1 0 0 1 2 1 1 0 0 0 -1.9727 24 18 2 4 0 0 1 1 1 2.5 6 9 638.36 0.666 0.666 0 0.666 4 49 899 0 0 1 0 1 0 2 0 1 0 2 0 1 1 0 0 0 4 7 4 0 0 8 2 14 0 12 9 1 2 0 0 24 0 0 0 0 0 0 0 0 24 0 0 0 0 # 42.11 20.51 4.97 # LEU Env_3bqd_30 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1825 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0.2153 3 2 1 0 0 0 0 1 0 0 0 3 81.157 0 0 0 0 -1 0 15 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 1 0 0 1 0 0 0 2 0 0 0 0 0 -0.9542 4 1 1 2 0 0 0 1 0 2 0 4 70.635 0 0 0 0 -3 0 66 1 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 2 6 0 0 0 0 0 2 0 0 0 0 0 -1.0428 10 8 0 2 0 0 0 0 0 2 0 7 291.068 0 0 0 0 1 7 126 0 0 0 0 0 0 0 0 0 0 1 0 3 1 0 3 0 0 0 2 0 0 7 0 3 0 7 3 0 0 0 0 10 0 0 0 0 0 0 0 0 10 0 0 0 0 3 21 0 7 0 0 0 2 0 1 2 0 0 -4.0517 36 24 7 3 2 0 1 7 0 2 0 16 996.386 0 0 0 0 8 36 453 1 0 0 0 0 0 0 1 1 0 9 0 11 2 0 3 0 0 0 8 0 0 31 0 4 1 31 4 1 0 0 0 36 0 0 0 0 0 0 0 0 36 0 0 0 0 7 17 2 3 0 0 0 5 0 0 1 0 0 -1.1034 35 26 3 5 1 0 0 3 0 5 2 21 977.742 0 0 0 0 6 33 491 2 0 0 0 0 0 0 1 2 0 5 0 13 3 0 0 0 2 0 7 0 0 30 0 4 1 32 1 2 0 0 0 35 0 0 0 0 0 0 0 0 35 0 0 0 0 # 42.37 29.87 1.82 # ALA Env_3bqd_31 0 0 0 0 0 0 0 0 0 0 1 0 0 -0.2736 1 0 0 0 1 0 0 0 0 0 0 0 26.521 0 0 0 0 1 3 25 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 -0.0518 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 6 50 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 1 2 0 0 0 0 0 1 0 0 0 0 0 0.0398 4 3 0 1 0 0 0 0 0 1 0 3 112.024 0 0 0 0 0 1 100 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 0 5 3 2 0 0 0 0 0 0 0 0 0 -1.9273 10 8 2 0 0 0 0 2 0 0 3 2 275.387 0 0 0 0 6 25 176 0 0 0 0 0 0 0 0 0 0 4 0 2 0 0 1 0 3 0 0 0 0 6 0 4 0 9 1 0 0 0 0 10 0 0 0 0 0 0 0 0 10 0 0 0 0 3 14 3 4 0 0 0 3 0 0 0 1 0 -3.2014 28 20 4 3 1 0 0.5 4 0 3 3 16 754.9 0 0 0 0 1 28 416 3 0 0 0 2 0 0 0 0 0 9 0 4 0 0 1 0 5 0 4 0 0 20 0 8 0 25 3 0 0 0 0 28 0 0 0 0 0 0 0 0 28 0 0 0 0 7 9 2 4 0 0 1 5 0 0 2 0 0 -1.7996 30 18 5 5 2 0 0 4 1 5 3 18 770.899 0 0 0 0 -1 29 468 1 0 1 0 2 0 0 0 0 0 5 0 5 0 0 4 0 6 0 6 0 0 17 0 13 0 23 7 0 0 0 0 30 0 0 0 0 0 0 0 0 30 0 0 0 0 # 40.2 26.36 5.26 # MET Env_3bqd_32 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 19 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 1 0 0 0 0 0 0 0 0 1 0 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 57 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 3 0 0 0 0 0 0 0 0 3 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 -0.3863 3 1 1 1 0 0 0 1 0 1 0 3 59.141 0 0 0 0 -2 0 105 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 0 3 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 2 3 0 1 0 0 0 2 0 0 0 0 0 -0.4886 8 5 1 2 0 0 0 1 0 2 0 6 204.675 0 0 0 0 -1 5 570 0 0 0 0 0 3 0 0 0 1 0 0 0 1 0 0 1 0 2 0 0 0 2 0 6 0 2 6 0 0 0 0 7 0 0 0 0 0 1 0 0 7 0 1 0 0 4 11 4 5 0 0 0 5 0 0 1 0 0 -3.9354 30 19 5 5 1 0 0 5 0 5 4 12 741.898 0 0 0 0 3 49 1604 0 0 1 0 4 8 0 0 0 3 0 0 4 6 0 0 0 0 4 0 0 0 13 0 17 0 13 17 0 0 0 0 23 0 0 0 0 2 5 0 0 23 2 5 0 0 3 9 6 5 0 0 0 1 1 0 1 1 0 -4.5643 27 18 5 2 2 0 0.5 5 0 1.5 6 9 718.257 0.666 0.666 0 0.666 4 48 1337 0 0 2 5 2 2 0 0 0 3 1 0 3 5 0 0 0 2 2 0 0 0 12 5 10 0 14 8 0 5 0 0 16 0 0 0 0 1 10 0 0 16 1 10 0 0 # 43.42 22.15 15.56 # THR Env_3bqd_33 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 12 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 1 4 0 1 0 0 0 0 0 0 0 0 0 -0.3411 6 5 1 0 0 0 0 1 0 0 0 3 181.687 0 0 0 0 2 8 72 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 0 1 0 0 1 0 0 0 2 0 0 0 0 0 -0.9542 4 1 1 2 0 0 0 1 0 2 0 4 70.635 0 0 0 0 -3 0 83 0 0 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 1 0 0 3 0 1 0 3 1 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 2 5 0 0 0 0 0 2 0 0 1 0 0 -0.3918 10 7 0 2 1 0 0 0 0 2 0 7 284.079 0 0 0 0 1 9 227 0 0 2 0 0 0 0 0 0 0 1 0 3 0 0 0 0 0 0 4 0 0 8 0 2 0 8 2 0 0 0 0 10 0 0 0 0 0 0 0 0 10 0 0 0 0 2 17 3 5 0 0 0 3 0 0 0 0 0 -3.7949 30 22 5 3 0 0 0 5 0 3 3 12 815.478 0 0 0 0 7 32 1140 1 0 3 0 1 1 4 0 3 0 4 0 4 0 0 0 0 0 3 6 0 0 15 4 11 0 15 8 3 4 0 0 30 0 0 0 0 0 0 0 0 30 0 0 0 0 7 14 3 6 0 0 2 3 0 0 1 1 0 -2.8483 37 24 8 3 2 0 0.5 7 1 3 5 22 981.754 0 0 0 1 -3 36 1506 2 0 5 0 3 3 3 0 6 0 2 0 6 0 0 1 0 0 4 2 0 0 12 3 22 0 12 16 6 3 0 0 37 0 0 0 0 0 0 0 0 37 0 0 0 0 # 44.08 25.42 5.54 # LEU Env_3bqd_34 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 33 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 1 0 0 0 0 0 0 0 0 1 0 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 99 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 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 2 0 0 0 1 0 0 0 0 0 -1.4998 3 0 2 1 0 0 0 2 0 1 0 3 39.768 0 0 0 0 -3 0 285 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 2 0 1 1 0 1 0 0 2 0 0 0 0 0 1 0 0 2 0 1 0 0 5 7 0 1 0 0 0 4 0 0 0 0 0 -0.2014 17 12 1 4 0 0 0 1 0 4 0 13 462.233 0 0 0 0 -1 6 1272 0 2 0 0 0 0 5 0 0 4 0 0 2 0 0 0 3 1 0 0 0 0 6 7 4 0 7 3 2 5 0 0 8 0 0 0 0 0 9 0 0 8 0 9 0 0 4 10 0 5 0 0 0 2 2 0 0 0 0 -2.8787 23 14 5 4 0 0 0 5 0 3 0 12 588.448 0.999 0.999 0 0.999 -3 26 1607 0 4 2 0 0 0 3 0 0 6 0 0 3 0 0 2 1 2 0 0 0 0 9 7 7 0 11 5 4 3 0 0 14 0 0 0 0 0 9 0 0 14 0 9 0 0 3 9 3 5 1 0 0 2 0 1 2 0 0 -3.2151 26 15 6 3 2 0 1 5 1 2 3 13 647.261 0 0 0 0 0 34 1366 0 2 3 0 0 0 0 0 0 2 1 0 6 4 0 1 5 2 0 0 0 0 13 2 11 0 15 9 2 0 0 0 21 0 0 0 0 0 5 0 0 21 0 5 0 0 # 38.2 28.2 20.86 # THR Env_3bqd_35 0 0 0 0 0 0 0 0 0 0 1 0 0 -0.2736 1 0 0 0 1 0 0 0 0 0 0 0 26.521 0 0 0 0 1 3 30 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 -0.0518 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 6 60 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 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 30 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 6 2 2 0 0 0 2 0 0 0 0 0 -3.2977 13 9 2 2 0 0 0 2 0 2 2 7 338.874 0 0 0 0 2 21 237 0 0 0 0 3 2 0 0 0 0 4 0 2 2 0 0 0 0 0 0 0 0 8 0 5 0 8 5 0 0 0 0 9 0 0 4 0 0 0 0 0 9 4 0 0 0 3 11 2 1 0 0 0 1 0 0 0 1 0 -0.3262 19 16 1 1 1 0 0.5 1 0 1 2 6 574.334 0 0 0 0 8 28 384 0 0 0 0 3 2 0 0 1 0 9 0 2 2 0 0 0 0 0 0 0 0 13 0 6 0 13 5 1 0 0 0 15 0 0 4 0 0 0 0 0 15 4 0 0 0 1 12 3 4 0 0 0 5 0 0 2 0 0 -4.2947 27 16 4 5 2 0 0 4 0 5 3 14 670.369 0 0 0 0 2 30 726 4 0 0 0 0 3 0 0 5 0 5 3 5 2 0 0 0 0 0 0 0 0 16 3 8 0 16 3 8 0 0 0 22 0 0 3 2 0 0 0 0 22 5 0 0 0 # 44.71 31.63 7.92 # MET Env_3bqd_36 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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