# EXCLUDED_RESIDUES HETATM # PDBID_LIST 2nnq # POINT_FILE ../DUDE/pocket_res_ptf_tian/2nnq_T4B_A_293.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_2nnq_0 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 41 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 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 82 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 2 0 0 1 0 0 0 1 0 0 0 0 0 0.1102 4 2 1 1 0 0 0 1 0 1 0 4 92.651 0 0 0 0 -2 0 128 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 1 1 0 2 1 0 1 0 0 0 0 0 0 3 0 1 0 0 0 3 1 0 0 0 6 3 0 0 1 0 1 0 1 0 0 0 -2.0856 12 9 1 2 0 0 1 0 1 1 3 3 342.784 1 0 1 1 4 29 575 0 0 0 1 0 0 0 0 0 0 0 5 0 3 0 0 3 0 0 0 0 0 3 6 3 0 3 3 5 1 0 0 0 0 0 1 1 3 7 0 0 0 5 7 0 0 3 5 2 2 0 0 0 2 1 1 0 0 0 -1.4386 16 10 2 4 0 0 1 2 0 2.5 2 7 384.805 0.666 0.666 0 0.666 -2 18 769 0 0 0 5 0 0 0 0 0 0 0 3 0 2 0 0 5 0 0 1 0 0 3 8 5 0 3 5 3 5 0 0 0 0 0 3 4 2 7 0 0 0 9 7 0 0 4 7 1 3 1 0 0 3 1 1 0 0 0 -3.6427 21 12 4 5 0 0 1 3.5 0.5 3.5 1 13 527.747 0.666 0.333 0.333 0.666 -4 20 1317 1 1 4 3 0 0 0 0 0 0 0 1 0 4 0 1 5 0 0 1 0 0 6 5 10 0 6 10 2 3 0 0 2 0 0 4 2 4 9 0 0 2 10 9 0 0 # 1.04 9.36 20.8 # ALA Env_2nnq_1 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 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 45 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 2 0 0 0 0 0 -1.0763 4 1 1 2 0 0 0 1 0 2 0 4 70.635 0 0 0 0 -3 0 96 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 2 0 0 2 0 1 1 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 1 8 2 1 1 0 0 2 0 0 0 0 0 -2.6914 15 11 2 2 0 0 0 1 1 2 2 7 412.336 0 0 0 0 3 21 362 0 7 0 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 2 2 0 0 4 9 2 0 4 2 8 1 0 0 0 0 0 15 0 0 0 0 0 0 15 0 0 0 5 11 2 5 1 0 0 3 0 0 0 1 0 -1.5387 28 18 6 3 1 0 0.5 5.5 0.5 3 2 15 720.504 0.666 0 0.666 0.666 -3 37 859 0 7 0 0 2 0 4 0 0 0 2 2 1 0 0 1 2 0 2 5 0 0 8 13 7 0 8 7 9 4 0 0 0 0 0 28 0 0 0 0 0 0 28 0 0 0 5 17 2 3 2 0 0 4 0 1 1 0 0 -3.9596 35 24 5 5 1 0 1 3.5 1.5 4 2 16 954.404 0.666 0.333 0.333 0.666 3 49 832 0 3 0 0 2 0 1 0 0 5 5 4 1 0 0 1 4 0 6 3 0 0 14 8 13 0 14 13 7 1 0 0 0 0 0 35 0 0 0 0 0 0 35 0 0 0 # 10.64 5.42 12.62 # VAL Env_2nnq_2 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 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 -0.0338 2 2 0 0 0 0 0 0 0 0 2 0 47.1 0 0 0 0 0 5 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0074 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 1 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 1 0 0 0 0 0 0 1 0 0 0 3 7 1 2 2 0 0 1 2 1 0 0 0 -3.1875 19 11 4 4 0 0 1 3 1 2 0 4 474.166 1.998 0.999 0.999 1.998 -3 51 265 0 3 0 0 0 3 3 0 3 4 0 0 0 0 0 2 0 0 0 1 0 0 5 6 8 0 5 5 6 3 0 0 0 0 0 19 0 0 0 0 0 0 19 0 0 0 3 12 3 4 0 0 0 4 0 0 0 0 0 -3.2618 26 18 4 4 0 0 0 4 0 4 3 14 684.737 0 0 0 0 3 30 481 0 0 0 0 0 4 1 0 1 9 0 0 0 3 0 1 3 0 0 4 0 0 16 1 9 0 16 8 1 1 0 0 0 0 0 26 0 0 0 0 0 0 26 0 0 0 3 12 6 2 1 0 0 3 0 0 0 0 0 -2.7603 27 21 3 3 0 0 0 2 1 3 6 11 739.169 0 0 0 0 8 41 434 0 2 0 0 0 0 1 0 0 6 0 0 0 6 0 3 5 0 0 4 0 0 16 3 8 0 16 8 2 1 0 0 0 0 0 26 0 0 1 0 0 0 26 1 0 0 # 9.53 14.77 16.18 # HIS Env_2nnq_3 0 1 0 0 0 0 0 0 0 0 0 0 0 0.2985 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 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 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 1 0 0 1 0 0 0 3 0 0 0 0 0 -1.5221 5 1 1 3 0 0 0 1 0 3 0 5 82.129 0 0 0 0 -4 0 86 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 1 2 0 0 3 0 1 1 3 2 0 0 0 0 4 0 0 0 1 0 0 0 0 4 1 0 0 0 4 4 4 3 3 0 0 1 0 0 1 0 0 -2.5324 20 12 6 1 1 0 0 4 2 1 4 10 505.154 0.999 0 0.999 0.999 -2 46 599 0 4 0 0 0 0 4 1 0 0 0 0 4 0 0 0 0 2 3 2 0 0 6 8 5 1 8 4 4 4 0 0 10 0 0 3 1 0 6 0 0 10 4 6 0 0 3 13 6 1 0 0 0 2 1 2 0 0 0 -1.871 28 22 1 5 0 0 2 1 0 2.5 6 8 756.047 0.666 0.666 0 0.666 7 52 900 0 1 0 2 0 0 1 2 0 0 0 4 5 0 0 0 3 2 6 2 0 0 7 8 11 2 9 11 5 3 0 0 13 0 0 8 4 0 3 0 0 13 12 3 0 0 2 8 2 1 0 1 1 3 1 0 1 0 0 -3.3497 20 12 3 4 1 0 0 1 2 3.5 3 6 525.566 1.333 0.333 1 1.333 5 38 814 0 1 0 4 0 1 1 0 0 0 0 3 2 0 0 0 0 3 2 3 0 0 5 9 6 0 8 3 4 5 0 0 7 0 0 6 3 0 4 0 0 7 9 4 0 0 # 10.19 8.11 26.58 # VAL Env_2nnq_4 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 13 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 1 3 0 1 0 0 0 0 0 0 0 0 0 -0.2414 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 4 65 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 1 1 0 1 0 0 0 1 0 0 0 0 0 -0.3845 4 2 1 1 0 0 0 1 0 1 0 3 92.651 0 0 0 0 -1 3 158 0 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 1 0 0 0 0 0 2 1 1 0 2 1 1 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 0 5 1 0 0 0 0 3 0 0 0 0 0 -2.3046 9 6 0 3 0 0 0 0 0 3 1 5 228.553 0 0 0 0 1 11 291 0 0 0 0 0 0 0 0 0 5 0 1 0 1 0 0 2 0 0 0 0 0 6 1 2 0 6 2 1 0 0 0 0 0 0 9 0 0 0 0 0 0 9 0 0 0 5 14 3 4 1 0 0 2 0 0 1 0 0 -0.6833 30 22 5 2 1 0 0 4 1 2 2 14 836.947 0.333 0 0.333 0.333 6 38 955 0 2 0 0 0 0 2 0 0 14 0 3 3 2 0 1 3 0 0 0 0 0 19 7 4 0 19 4 5 2 0 0 0 0 0 30 0 0 0 0 0 0 30 0 0 0 3 14 3 4 2 0 1 3 0 1 0 0 0 -4.8744 31 20 7 4 0 0 1 5.5 1.5 3 4 15 814.473 0.666 0 0.666 1.166 -2 47 1186 0 3 0 0 0 0 4 0 2 6 1 1 3 2 0 6 3 0 0 0 0 0 12 8 11 0 12 9 6 4 0 0 0 0 0 31 0 0 0 0 0 0 31 0 0 0 # 4.17 13.38 10.48 # ILE Env_2nnq_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 7 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 1 3 0 1 0 0 0 0 0 0 0 0 0 -0.2414 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 4 35 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 1 1 0 1 0 0 0 1 0 0 0 0 0 -0.3845 4 2 1 1 0 0 0 1 0 1 0 3 92.651 0 0 0 0 -1 3 145 0 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 1 0 0 0 0 0 2 1 1 0 2 1 1 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 2 5 2 0 2 0 1 3 0 0 0 1 0 -2.4928 16 9 3 3 1 0 0.5 1.5 1.5 3 2 9 399.726 0.999 0 0.999 1.499 -6 25 417 0 3 0 0 2 0 2 0 6 0 0 1 0 0 0 0 2 0 0 0 0 0 0 6 10 0 0 4 10 2 0 0 0 0 0 16 0 0 0 0 0 0 16 0 0 0 3 9 2 7 1 0 1 2 0 2 0 0 0 -4.4553 27 14 9 4 0 0 2 7.5 1.5 2 3 13 652.581 0 0 0 0.5 -8 37 889 0 4 0 0 3 0 2 0 4 0 0 4 0 0 0 0 6 0 1 3 0 0 3 10 14 0 3 10 12 2 0 0 1 0 0 26 0 0 0 0 0 1 26 0 0 0 7 16 2 3 0 0 0 6 0 1 0 0 0 -3.291 35 25 3 7 0 0 1 3 0 6 3 18 936.734 0 0 0 0 1 42 763 0 2 0 0 1 6 1 0 0 0 2 1 0 0 0 0 4 0 3 15 0 0 17 4 14 0 17 14 3 1 0 0 3 0 0 32 0 0 0 0 0 3 32 0 0 0 # 12.38 10.44 16.33 # ILE Env_2nnq_6 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 8 153 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 3 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.204 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 51 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 1 0 0 0 0 0 0 1 0 0 0 1 1 0 3 0 0 0 2 0 0 0 0 0 -1.8859 7 2 3 2 0 0 0 3 0 2 0 7 132.419 0 0 0 0 -5 0 268 0 0 4 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 2 4 0 1 4 0 2 0 0 0 0 0 5 0 0 2 0 0 0 5 2 0 0 4 5 0 0 0 0 0 1 0 0 0 0 0 1.6348 10 9 0 1 0 0 0 0 0 1 0 8 313.084 0 0 0 0 1 5 243 0 0 0 0 0 0 2 0 0 2 0 0 2 0 1 2 0 1 0 0 0 0 5 2 3 0 6 2 0 2 0 0 0 0 0 7 0 0 3 0 0 0 7 3 0 0 2 7 0 4 0 0 0 4 0 1 0 0 0 -3.2464 18 9 4 5 0 0 1 4 0 4 0 12 421.271 0 0 0 0 -5 8 626 0 0 0 0 0 0 0 0 0 3 0 2 2 0 3 5 1 2 0 0 0 0 8 2 8 0 10 6 2 0 0 0 0 0 0 14 0 0 4 0 0 0 14 4 0 0 3 15 1 3 0 0 0 1 0 1 0 0 0 -1.439 24 19 3 2 0 0 1 3 0 1 1 11 711.055 0 0 0 0 4 25 1602 0 0 1 0 0 0 0 0 0 2 0 9 1 0 2 2 4 2 1 0 0 0 5 9 10 0 7 8 9 0 0 0 0 0 0 17 0 0 7 0 0 0 17 7 0 0 # -2.58 5.57333 9.46667 # ASN Env_2nnq_7 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 18 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 -2.2062 4 1 3 0 0 0 0 1 2 0 0 0 102.947 0.666 0 0.666 0.666 -3 19 72 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.373 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 5 38 0 1 0 0 0 0 0 0 0 0 1 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 0 6 6 0 0 0 0 0 0 2 0 0 0 -1.7626 14 12 0 2 0 0 2 0 0 0 6 0 388.558 0 0 0 0 9 39 446 0 1 0 0 0 0 0 0 0 0 2 0 0 7 1 2 0 0 1 0 0 0 10 1 3 0 10 3 1 0 0 0 7 0 0 6 0 0 1 0 0 7 6 1 0 0 2 5 1 2 0 0 0 4 0 1 0 0 0 -3.3859 15 8 2 5 0 0 1 2 0 4 2 10 339.567 0 0 0 0 -5 13 398 2 2 0 0 0 0 0 1 0 0 1 0 0 1 1 5 0 0 2 0 0 0 5 2 7 1 5 8 2 0 0 0 3 0 0 10 0 0 2 0 0 3 10 2 0 0 8 11 2 7 0 0 0 6 0 0 0 1 0 -2.3158 35 21 7 6 1 0 0.5 7 0 6 2 27 884.176 0 0 0 0 -8 19 1415 5 2 0 0 1 0 1 3 0 0 1 4 1 3 4 4 2 0 2 2 0 0 16 7 9 3 16 12 6 1 0 0 8 0 0 15 0 0 12 0 0 8 15 12 0 0 # 5.81 1.18 16.86 # ARG Env_2nnq_8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 21 354 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 6 0 0 0 6 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 6 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.0342 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 59 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 6 0 2 0 0 0 3 0 0 0 0 0 -2.5934 12 7 2 3 0 0 0 2 0 3 0 8 297.326 0 0 0 0 -1 6 554 4 0 0 0 0 0 0 0 0 0 0 2 0 3 0 0 2 0 0 1 0 0 8 2 2 0 8 2 2 0 0 0 6 0 0 0 1 3 2 0 0 6 4 2 0 0 5 11 0 2 0 0 0 2 0 1 0 0 0 0.239 21 16 2 3 0 0 1 2 0 2 0 14 604.579 0 0 0 0 0 11 1107 6 0 0 2 0 0 0 0 0 0 0 3 0 1 0 1 4 0 0 4 0 0 11 5 5 0 11 5 3 2 0 0 9 0 0 0 5 2 5 0 0 9 7 5 0 0 2 6 0 6 0 1 0 3 0 2 1 0 0 -5.2736 21 8 7 5 1 0 2 6 1 3 0 13 481.729 1 0 1 1 -8 20 1128 3 2 1 2 0 0 0 1 0 0 0 4 1 0 0 1 4 0 0 2 0 0 6 8 6 1 6 7 6 2 0 0 9 0 0 1 3 1 7 0 0 9 5 7 0 0 # -1.43 5.25833 22.7617 # PHE Env_2nnq_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 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 1 0 0 0 0 0 0 1 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 8 120 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 0 0 0 6 0 0 0 0 0 0 6 0 0 0 1 0 0 1 0 0 0 2 0 0 0 0 0 -0.8243 4 1 1 2 0 0 0 1 0 2 0 4 70.635 0 0 0 0 -3 0 190 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 1 0 0 3 1 0 0 3 0 1 0 0 0 0 0 0 3 0 0 1 0 0 0 3 1 0 0 3 6 4 1 0 0 0 3 0 1 0 0 0 -2.1494 18 13 1 4 0 0 1 1 0 3 5 9 454.577 0 0 0 0 1 30 1021 0 0 0 0 0 0 0 0 0 0 0 6 0 0 4 0 0 0 6 2 0 0 6 6 6 0 6 6 6 0 0 0 0 0 0 10 0 0 8 0 0 0 10 8 0 0 3 13 2 6 3 0 0 3 0 0 0 0 0 -4.3227 30 18 9 3 0 0 0 7 2 3 1 16 772.001 0.999 0 0.999 0.999 -4 39 1625 1 4 2 0 0 0 0 0 0 0 0 6 0 0 2 4 0 0 4 7 0 0 10 10 10 0 10 10 10 0 0 0 0 0 0 23 0 0 7 0 0 0 23 7 0 0 5 12 0 3 0 1 0 3 0 0 0 0 0 -0.1355 24 17 4 3 0 0 0 3 1 3 0 14 680.073 1 0 1 1 1 20 951 1 6 3 0 0 0 1 0 0 0 0 3 1 0 0 4 0 2 1 2 0 0 4 10 10 0 6 8 9 1 0 0 0 0 0 22 0 0 2 0 0 0 22 2 0 0 # 3.5 -0.19 11.95 # LEU Env_2nnq_10 0 1 0 1 0 0 0 0 0 0 0 0 0 -0.2359 2 1 1 0 0 0 0 1 0 0 0 1 47.647 0 0 0 0 0 2 26 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0.5753 4 4 0 0 0 0 0 0 0 0 0 2 134.04 0 0 0 0 1 2 52 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 1 1 0 1 0 0 0 2 0 0 0 0 0 -1.0856 5 2 1 2 0 0 0 1 0 2 0 5 104.145 0 0 0 0 -3 0 508 0 0 1 0 0 0 0 0 0 0 0 3 0 0 1 0 0 0 0 0 0 0 1 3 1 0 1 1 3 0 0 0 0 0 0 1 0 0 4 0 0 0 1 4 0 0 1 6 0 1 1 0 0 3 0 3 0 0 0 -4.6862 15 7 2 6 0 0 3 1.5 0.5 3 0 6 359.089 0.333 0 0.333 0.333 -4 23 594 3 1 2 0 0 0 1 0 0 0 2 2 0 0 0 3 0 0 1 0 0 0 5 4 6 0 5 6 3 1 0 0 0 0 0 7 0 0 8 0 0 0 7 8 0 0 3 9 2 2 0 0 0 1 0 0 0 0 0 0.4822 17 14 2 1 0 0 0 2 0 1 2 7 476.057 0.333 0 0.333 0.333 3 29 692 1 1 3 0 0 0 1 0 0 0 4 2 0 0 0 3 0 0 2 0 0 0 5 4 8 0 5 8 3 1 0 0 0 0 0 11 0 0 6 0 0 0 11 6 0 0 6 6 2 6 2 0 0 6 0 1 0 0 0 -5.4648 29 14 8 7 0 0 1 6.5 1.5 6 2 20 668.474 0.333 0 0.333 0.333 -11 27 1346 2 2 2 0 0 0 2 0 0 0 2 3 5 2 0 4 2 1 2 0 0 0 11 7 11 0 12 10 5 2 0 0 3 0 0 16 0 4 6 0 0 3 20 6 0 0 # 0.542 2.57 14.474 # PRO Env_2nnq_11 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 26 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 52 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 0 4 0 0 0 2 0 0 0 0 0 -2.1889 8 2 4 2 0 0 0 4 0 2 0 7 146.556 0 0 0 0 -5 1 453 0 0 0 0 0 0 0 0 0 0 0 2 0 2 0 3 1 0 0 0 0 0 2 2 4 0 2 4 2 0 0 0 0 0 0 0 0 3 5 0 0 0 3 5 0 0 4 7 2 0 0 0 0 1 0 0 0 0 0 1.2629 14 13 0 1 0 0 0 0 0 1 2 9 427.204 0 0 0 0 4 8 774 1 0 0 0 0 0 2 0 0 0 0 3 0 4 2 0 2 0 0 0 0 0 7 5 2 0 7 2 3 2 0 0 0 0 0 0 0 6 8 0 0 0 6 8 0 0 5 8 2 6 0 0 0 3 0 2 0 0 0 -2.2472 26 15 6 5 0 0 2 6 0 3 2 15 639.651 0 0 0 0 -7 23 1694 2 0 5 0 0 0 2 0 0 0 0 3 0 3 4 4 3 0 0 0 0 0 9 5 12 0 9 12 3 2 0 0 0 0 0 5 0 6 15 0 0 0 11 15 0 0 1 8 2 2 0 0 0 8 0 1 0 0 0 -6.901 22 11 2 9 0 0 1 2 0 8 2 12 492.015 0 0 0 0 -4 25 1355 6 0 5 0 0 0 0 0 0 0 0 3 0 2 1 1 3 0 0 1 0 0 10 3 9 0 10 9 3 0 0 0 4 0 0 5 1 3 9 0 0 4 9 9 0 0 # -2.82 4.63 17.1 # SER Env_2nnq_12 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 24 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 1 3 0 1 0 0 0 0 0 0 0 0 0 -0.2414 5 4 1 0 0 0 0 1 0 0 0 3 148.177 0 0 0 0 1 4 120 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 1 1 0 1 0 0 0 1 0 0 0 0 0 -0.5129 4 2 1 1 0 0 0 1 0 1 0 3 92.651 0 0 0 0 -1 3 212 0 0 0 0 0 0 1 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 2 1 1 0 2 1 0 1 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 1 2 3 0 0 0 0 3 1 0 0 0 0 -2.3273 10 6 0 4 0 0 0 0 0 3.5 3 6 228.712 0.333 0.333 0 0.333 -1 16 489 0 0 0 0 0 0 3 0 0 1 0 0 0 3 0 3 0 0 0 0 0 0 4 3 3 0 4 3 0 3 0 0 0 0 0 10 0 0 0 0 0 0 10 0 0 0 2 10 5 3 0 0 0 0 1 1 0 0 0 -1.4307 22 17 3 2 0 0 1 3 0 0.5 5 5 589.557 0.666 0.666 0 0.666 7 40 685 0 0 0 0 0 0 7 0 1 6 0 0 0 6 0 2 0 0 0 0 0 0 12 7 3 0 12 2 1 7 0 0 0 0 0 22 0 0 0 0 0 0 22 0 0 0 6 12 5 4 0 0 2 5 1 1 0 0 0 -4.1746 36 23 6 7 0 0 1 5 1 5.5 7 18 896.94 0.666 0.666 0 1.666 -2 47 1417 0 0 0 2 0 0 5 0 2 5 0 2 0 7 0 0 11 0 0 2 0 0 14 9 13 0 14 11 4 7 0 0 0 0 0 36 0 0 0 0 0 0 36 0 0 0 # 3.47 16.99 14.36 # ILE Env_2nnq_13 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 38 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 0 267 1 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 0 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 2 0 0 0 0 0 -1.1572 2 0 0 2 0 0 0 0 0 2 0 2 22.988 0 0 0 0 -2 0 39 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 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 2 0 0 0 0 0 0.4822 13 9 2 2 0 0 0 2 0 2 0 10 352.852 0 0 0 0 -1 6 845 4 1 0 0 0 0 0 0 0 0 0 2 4 0 0 0 0 0 0 2 0 0 10 3 0 0 10 0 3 0 0 0 12 0 0 0 0 0 1 0 0 12 0 1 0 0 1 6 3 2 1 0 0 3 0 0 1 0 0 -4.0283 17 10 3 3 1 0 0 2.5 0.5 3 3 10 421.897 0.333 0 0.333 0.333 0 21 871 4 2 0 0 0 0 0 0 0 0 0 2 3 3 0 0 1 0 0 2 0 0 12 4 1 0 12 1 4 0 0 0 12 0 0 1 0 0 4 0 0 12 1 4 0 0 3 11 3 3 1 1 0 1 1 1 1 0 0 -2.049 26 17 5 3 1 0 1 3.5 1.5 1.5 2 8 699.489 2.332 0.666 1.666 2.332 3 48 1502 0 4 0 5 0 0 0 0 0 0 0 4 2 6 0 2 1 0 0 2 0 0 10 13 3 0 10 3 8 5 0 0 20 0 0 4 0 0 2 0 0 20 4 2 0 0 # 2.83 -1.43 22.06 # GLY Env_2nnq_14 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 61 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 1 0 0 0 0 0 0 0 0 0 0 0 -0.0142 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 -1 4 61 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 1 0 0 0 0 0 -0.582 3 2 0 1 0 0 0 0 0 1 0 2 78.514 0 0 0 0 0 3 108 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 1 1 1 0 1 1 1 0 0 0 0 0 0 0 1 0 2 0 0 0 1 2 0 0 3 5 0 3 0 0 0 2 0 1 0 0 0 -1.83 14 8 3 3 0 0 1 3 0 2 0 8 350.636 0 0 0 0 -2 10 764 4 0 0 2 0 0 0 0 0 0 0 1 0 0 0 0 4 0 0 3 0 0 7 3 4 0 7 4 1 2 0 0 0 0 0 6 5 0 3 0 0 0 11 3 0 0 3 8 0 1 0 0 0 1 1 0 0 0 0 0.3182 14 11 1 2 0 0 0 1 0 1.5 0 9 395.447 0.666 0.666 0 0.666 0 8 1104 0 0 2 6 0 0 0 0 0 0 0 1 0 0 0 0 3 0 0 2 0 0 2 7 5 0 2 5 1 6 0 0 0 0 0 3 2 0 9 0 0 0 5 9 0 0 3 5 3 6 0 0 0 4 2 1 0 0 0 -5.8253 24 11 6 7 0 0 1 6 0 5 3 15 523.872 0.666 0.666 0 0.666 -8 24 1596 0 2 2 6 0 0 1 0 0 0 0 4 0 3 0 0 4 0 0 2 0 0 5 13 6 0 5 6 6 7 0 0 0 0 0 5 3 3 13 0 0 0 11 13 0 0 # -1.86 12.68 22.19 # LYS Env_2nnq_15 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 10 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 30 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 0 180 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 2 0 1 1 2 2 0 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 2 6 6 1 0 0 0 2 0 0 1 0 0 -1.9098 18 14 1 2 1 0 0 1 0 2 6 8 484.91 0 0 0 0 7 31 902 0 3 0 0 0 0 0 1 0 0 0 0 2 7 0 0 2 0 0 3 0 0 12 3 2 1 12 3 3 0 0 0 11 0 0 0 0 7 0 0 0 11 7 0 0 0 2 8 3 4 0 0 0 1 0 0 0 0 0 -1.3035 18 13 4 1 0 0 0 4 0 1 3 9 482.705 0 0 0 0 3 20 1001 2 2 0 0 0 0 0 1 0 0 0 4 2 3 0 0 2 0 0 2 0 0 9 6 2 1 9 3 6 0 0 0 16 0 0 0 0 0 2 0 0 16 0 2 0 0 5 14 2 4 2 0 0 5 0 2 0 0 0 -5.4914 34 21 6 7 0 0 2 5 1 5 2 18 880.98 0.666 0 0.666 0.666 -1 36 1639 8 3 0 3 0 0 0 1 0 0 0 2 4 6 0 1 2 0 0 4 0 0 22 8 3 1 22 4 5 3 0 0 14 0 0 2 6 4 8 0 0 14 12 8 0 0 # 1.49 2.74 22.93 # ALA Env_2nnq_16 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 11 324 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0136 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 108 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.056 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 108 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 5 0 0 0 0 0 1 0 1 0 0 0 -0.9425 8 6 0 2 0 0 1 0 0 1 0 3 229.711 0 0 0 0 2 10 728 0 0 0 0 0 0 3 0 0 0 0 3 0 0 0 1 1 0 0 0 0 0 0 6 2 0 0 2 3 3 0 0 0 0 0 8 0 0 0 0 0 0 8 0 0 0 3 5 0 4 0 1 0 3 0 1 0 0 0 -2.4057 17 8 5 4 0 0 1 4 1 3 0 12 409.777 1 0 1 1 -8 13 904 0 0 0 0 0 0 1 0 0 6 0 4 0 0 0 2 4 0 0 0 0 0 6 5 6 0 6 6 4 1 0 0 0 0 0 17 0 0 0 0 0 0 17 0 0 0 2 5 0 2 0 0 0 0 0 0 0 0 0 0.4681 9 7 2 0 0 0 0 2 0 0 0 8 262.844 0 0 0 0 -1 1 330 0 0 0 0 0 0 0 0 0 3 0 1 0 0 0 2 3 0 0 0 0 0 3 1 5 0 3 5 1 0 0 0 0 0 0 9 0 0 0 0 0 0 9 0 0 0 # -3.28 17.0933 11.2633 # GLU Env_2nnq_17 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 32 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 -2.2062 4 1 3 0 0 0 0 1 2 0 0 0 102.947 0.666 0 0.666 0.666 -3 19 128 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 -0.2813 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 4 39 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 0 5 2 0 0 0 1 0 0 0 0 0 0 -0.4558 8 7 1 0 0 0 0 0.5 0.5 0 3 0 228.787 0 0 0 0.5 4 17 65 0 1 0 0 0 0 0 0 4 2 0 0 0 0 0 0 0 0 0 1 0 0 3 1 4 0 3 0 5 0 0 0 0 0 0 8 0 0 0 0 0 0 8 0 0 0 2 12 1 2 0 0 1 2 0 0 1 0 0 -2.1668 21 15 3 2 1 0 0 2.5 0.5 2 2 8 594.023 0 0 0 0.5 6 33 476 0 2 0 0 0 0 0 0 2 10 0 3 2 0 0 0 0 0 0 2 0 0 14 5 2 0 14 0 7 0 0 0 0 0 0 21 0 0 0 0 0 0 21 0 0 0 5 13 2 4 0 0 0 3 1 0 0 1 0 -3.7797 29 20 4 4 1 0 0.5 4 0 3.5 2 15 798.202 0.333 0.333 0 0.333 2 39 407 0 1 0 0 1 1 3 0 4 5 7 1 1 2 0 0 0 0 0 3 0 0 18 5 6 0 18 2 6 3 0 0 0 0 0 29 0 0 0 0 0 0 29 0 0 0 # 9.12 10.82 13.16 # ARG Env_2nnq_18 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 5 108 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 7 216 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 1 0 0 0 0 -0.8094 3 2 0 1 0 0 0 0 0 0.5 0 0 81.157 0.333 0.333 0 0.333 1 7 324 0 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 2 1 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0.7624 2 2 0 0 0 0 0 0 0 0 0 0 54.089 0.333 0.333 0 0.333 1 5 159 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 2 7 0 3 0 0 0 3 1 0 0 0 0 -3.1623 16 9 3 4 0 0 0 3 0 3.5 0 9 392.62 0.333 0.333 0 0.333 -1 15 1082 0 0 0 0 0 0 4 0 0 3 0 4 0 0 0 3 2 0 0 0 0 0 3 8 5 0 3 5 4 4 0 0 0 0 0 15 0 0 1 0 0 0 15 1 0 0 # -6.52 13.19 8.85 # LYS Env_2nnq_19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 21 228 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 76 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 1 4 2 0 3 0 0 0 0 1 1 0 0 -1.9743 12 7 3 1 1 0 1 1 2 0 1 2 327.765 0.999 0 0.999 0.999 0 38 207 0 5 0 0 0 0 0 0 0 0 0 0 3 2 0 1 0 0 1 0 0 0 5 5 2 0 5 2 5 0 0 0 6 0 0 6 0 0 0 0 0 6 6 0 0 0 1 6 2 3 0 0 0 1 0 1 0 1 0 -2.2355 15 9 3 2 1 0 1.5 3 0 1 2 7 379.253 0 0 0 0 -1 15 453 0 1 2 2 1 0 0 0 0 0 0 0 3 1 0 2 0 0 3 0 0 0 4 3 8 0 4 8 1 2 0 0 9 0 0 4 0 2 0 0 0 9 6 0 0 0 8 10 2 3 0 0 0 5 0 0 0 0 0 -0.3861 28 20 3 5 0 0 0 3 0 5 3 20 743.172 0 0 0 0 -3 17 907 4 1 1 4 1 0 2 4 0 0 0 0 1 0 0 3 0 0 7 0 0 0 5 7 12 4 5 16 1 6 0 0 20 0 0 7 0 1 0 0 0 20 8 0 0 0 # 7.38833 2.73167 20.4517 # PHE Env_2nnq_20 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 35 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 -2.2062 4 1 3 0 0 0 0 1 2 0 0 0 102.947 0.666 0 0.666 0.666 -3 19 140 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 0 2 0 0 0 0 0 0 2 1 0 0 0 -2.5591 5 2 0 3 0 0 1 0 0 1 0 0 112.451 0.666 0.666 0 0.666 -1 12 125 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 3 1 0 1 1 1 2 0 0 1 0 0 0 2 0 2 0 0 1 2 2 0 0 2 6 4 0 0 0 0 1 0 0 0 0 0 0.2342 13 12 0 1 0 0 0 0 0 1 4 0 353.854 0.333 0.333 0 0.333 7 38 218 0 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 2 4 0 3 0 0 3 2 8 0 7 4 1 1 0 0 2 0 0 7 1 0 3 0 0 2 8 3 0 0 2 9 4 4 0 0 1 2 0 1 0 0 0 -4.1182 23 15 5 3 0 0 1 4 1 2 5 10 590.374 0 0 0 0 1 35 426 0 4 0 2 0 3 0 0 0 0 0 0 0 0 0 0 3 5 1 5 0 0 5 6 12 0 10 7 4 2 0 0 4 0 0 10 2 0 7 0 0 4 12 7 0 0 5 9 2 7 0 0 0 3 0 1 1 0 0 -3.1986 28 16 7 4 1 0 1 7 0 3 3 18 686.37 0 0 0 0 -4 25 1005 2 0 0 7 0 1 0 1 0 1 0 1 1 0 0 0 4 1 3 6 0 0 10 8 9 1 11 9 1 7 0 0 4 0 0 10 6 0 8 0 0 4 16 8 0 0 # 7.8 11.67 24.71 # ARG Env_2nnq_21 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 5 148 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 7 296 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 1 0 0 0 0 0 -0.5493 2 1 0 1 0 0 0 0 0 1 0 1 45.004 0 0 0 0 0 2 291 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 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 2 3 0 1 0 0 0 2 0 0 0 0 0 -0.5622 8 5 1 2 0 0 0 1 0 2 0 7 204.675 0 0 0 0 -2 1 778 2 0 0 0 0 0 0 1 0 0 0 3 2 0 0 0 0 0 0 0 0 0 4 3 0 1 4 1 3 0 0 0 3 0 0 0 0 0 5 0 0 3 0 5 0 0 1 4 0 2 0 0 0 0 0 0 1 0 0 -0.9052 8 5 2 0 1 0 0 2 0 0 0 4 222.345 0 0 0 0 2 11 640 2 0 0 0 0 0 0 1 0 0 1 0 4 0 0 0 0 0 0 0 0 0 7 0 0 1 7 1 0 0 0 0 5 0 0 1 0 0 2 0 0 5 1 2 0 0 1 7 0 2 2 0 0 4 0 0 0 0 0 -3.6867 16 8 4 4 0 0 0 3 1 4 0 8 391.188 0.666 0 0.666 0.666 -4 20 766 2 2 0 0 0 0 0 1 0 0 3 2 1 0 2 2 0 0 0 1 0 0 9 4 2 1 9 3 4 0 0 0 3 0 0 8 0 0 5 0 0 3 8 5 0 0 # 1.32 -5.04 16.52 # LYS Env_2nnq_22 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 10 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 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 -0.0518 2 2 0 0 0 0 0 0 0 0 0 0 67.02 0 0 0 0 2 6 20 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 0 0 0 2 0 0 0 0 0 0 2 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 10 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 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 5 2 1 1 0 0 0 0 1 0 0 0 -2.4205 11 8 2 1 0 0 1 1 1 0 3 2 293.044 0 0 0 0 3 32 148 0 1 0 0 0 0 0 0 0 3 0 0 2 0 0 0 0 0 4 1 0 0 6 1 4 0 6 4 1 0 0 0 0 0 0 11 0 0 0 0 0 0 11 0 0 0 2 11 6 1 1 0 0 3 0 0 0 0 0 -1.8589 24 19 2 3 0 0 0 1.5 0.5 3 5 6 649.978 0.666 0 0.666 0.666 8 46 543 0 4 2 0 0 0 0 0 0 4 3 1 2 0 0 1 0 3 4 0 0 0 9 5 10 0 12 7 5 0 0 0 0 0 0 24 0 0 0 0 0 0 24 0 0 0 4 14 2 5 1 0 1 5 0 1 0 0 0 -4.7939 33 20 7 6 0 0 1 5.5 1.5 5 3 22 834.658 0.333 0 0.333 0.333 -6 27 815 0 2 2 0 0 0 0 0 0 10 2 3 0 0 1 3 0 7 0 3 0 0 16 5 12 0 23 5 5 0 0 0 0 0 0 32 0 0 1 0 0 0 32 1 0 0 # 5.38 8.09 10.46 # MET Env_2nnq_23 0 1 0 0 0 0 0 0 0 0 0 0 0 -0.1825 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 1 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0.2153 3 2 1 0 0 0 0 1 0 0 0 3 81.157 0 0 0 0 -1 0 15 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 1 0 0 1 0 0 0 2 0 0 0 0 0 -0.8865 4 1 1 2 0 0 0 1 0 2 0 4 70.635 0 0 0 0 -3 0 306 2 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 3 1 0 0 3 0 1 0 0 0 2 0 0 0 0 0 2 0 0 2 0 2 0 0 2 7 0 4 0 0 0 2 0 2 0 0 0 -2.6724 17 9 4 4 0 0 2 4 0 2 0 12 415.44 0 0 0 0 -7 7 1350 2 0 0 0 0 0 0 0 0 0 0 2 3 3 2 2 2 0 0 1 0 0 11 2 4 0 11 4 2 0 0 0 6 0 0 0 0 5 6 0 0 6 5 6 0 0 5 13 3 3 0 0 0 3 0 0 0 0 0 -0.5976 27 21 3 3 0 0 0 3 0 3 3 15 753.694 0 0 0 0 5 21 1982 2 0 0 0 0 0 0 4 0 0 0 4 1 4 3 2 5 0 0 2 0 0 12 4 7 4 12 11 4 0 0 0 9 0 0 0 0 9 9 0 0 9 9 9 0 0 2 6 4 2 2 1 0 6 0 0 0 0 0 -5.188 23 12 5 6 0 0 0 3 2 6 3 11 547.828 1.999 0 1.999 1.999 -3 48 1421 0 3 0 0 0 0 2 0 0 0 1 5 1 4 2 2 0 0 0 3 0 0 11 10 2 0 11 2 8 2 0 0 5 0 0 4 0 4 10 0 0 5 8 10 0 0 # -1.41 0.75 18.54 # ALA Env_2nnq_24 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 80 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 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 4 400 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 5 0 0 0 0 0 0 0 0 5 0 0 0 0 1 0 0 1 0 0 0 2 0 0 0 0 0 -0.8174 4 1 1 2 0 0 0 1 0 2 0 4 70.635 0 0 0 0 -3 0 247 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 3 1 0 0 3 0 1 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 0 2 3 2 0 0 0 0 2 0 0 0 0 0 -0.5036 9 7 0 2 0 0 0 0 0 2 2 7 243.58 0 0 0 0 0 7 532 2 0 0 0 0 0 0 0 0 0 0 2 0 2 0 0 3 0 0 0 0 0 4 2 3 0 4 3 2 0 0 0 7 0 0 0 0 2 0 0 0 7 2 0 0 0 2 9 2 5 0 0 0 1 0 0 0 0 0 -1.5986 19 13 5 1 0 0 0 5 0 1 2 11 497.889 0 0 0 0 1 14 1100 3 4 0 0 0 0 0 1 0 0 0 2 2 4 0 0 3 0 0 0 0 0 9 6 3 1 9 4 6 0 0 0 15 0 0 0 0 4 0 0 0 15 4 0 0 0 5 7 2 3 0 0 0 4 0 2 0 0 0 -2.5403 23 14 3 6 0 0 2 3 0 4 2 15 577.863 0 0 0 0 -3 17 1777 6 0 0 0 0 0 0 2 0 0 0 1 3 7 0 0 4 0 0 0 0 0 16 1 4 2 16 6 1 0 0 0 12 0 0 0 0 8 3 0 0 12 8 3 0 0 # -2.79 0.73 25.26 # VAL Env_2nnq_25 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 10 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 20 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 1 0 0 0 0 0 0 0 0 0 0 -0.1361 2 2 0 0 0 0 0 0 0 0 1 0 60.031 0 0 0 0 2 5 48 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 9 2 2 0 0 0 3 0 0 0 0 0 -2.7101 17 12 2 3 0 0 0 2 0 3 2 8 450.898 0 0 0 0 3 20 432 1 7 0 0 0 0 0 0 0 0 0 0 2 3 0 0 1 0 0 3 0 0 9 7 1 0 9 1 7 0 0 0 14 0 0 0 0 0 3 0 0 14 0 3 0 0 6 8 4 5 1 0 0 3 1 0 0 0 0 -2.3953 28 18 6 4 0 0 0 5 1 3.5 4 19 709.165 0.333 0.333 0 0.333 -3 23 1013 4 1 0 6 0 0 0 2 0 0 0 2 2 6 0 0 2 0 2 1 0 0 13 9 4 2 13 6 3 6 0 0 26 0 0 0 1 0 1 0 0 26 1 1 0 0 6 9 7 5 2 0 0 3 2 0 0 0 0 -2.9503 34 22 7 5 0 0 0 6 1 4 6 17 832.85 2.331 1.332 0.999 2.331 -3 53 1423 0 3 0 7 0 0 0 3 0 0 0 3 0 4 0 0 2 0 6 6 0 0 10 13 8 3 10 11 6 7 0 0 20 0 0 1 4 4 5 0 0 20 9 5 0 0 # 5.36 3.27 24.28 # MET Env_2nnq_26 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 52 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 3 156 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 0 0 0 0 0 0 -0.4156 1 0 1 0 0 0 0 1 0 0 0 1 14.137 0 0 0 0 -1 0 52 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 2 1 0 1 0 0 0 3 0 0 0 0 0 -1.1764 7 3 1 3 0 0 0 1 0 3 0 6 149.149 0 0 0 0 -3 2 318 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 2 0 0 1 0 0 3 1 2 1 3 3 1 0 0 0 5 0 0 0 0 0 2 0 0 5 0 2 0 0 4 7 2 3 0 0 0 2 0 0 0 0 0 -0.4773 18 13 3 2 0 0 0 3 0 2 2 13 487.051 0 0 0 0 0 12 1061 3 1 0 4 0 0 0 3 0 0 0 0 0 5 0 0 0 0 0 2 0 0 10 5 0 3 10 3 1 4 0 0 7 0 0 0 4 2 5 0 0 7 6 5 0 0 3 11 2 5 0 0 0 2 1 0 0 0 0 -3.3249 24 16 5 3 0 0 0 5 0 2.5 2 12 617.061 0.666 0.666 0 0.666 2 24 1341 4 3 0 5 0 0 0 0 0 0 0 1 0 3 0 0 0 0 0 8 0 0 15 9 0 0 15 0 4 5 0 0 12 0 0 0 5 2 5 0 0 12 7 5 0 0 # -0.33 5.59 28.99 # THR Env_2nnq_27 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 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 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 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 0 0 2 2 1 5 2 0 0 2 1 0 0 0 0 -3.6226 15 5 7 3 0 0 0 5.5 1.5 2.5 0 9 294.506 1.332 0.666 0.666 1.332 -9 21 551 1 7 0 4 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 11 3 0 1 3 7 4 0 0 0 0 0 0 4 0 11 0 0 0 4 11 0 0 5 6 0 0 1 0 0 2 1 0 0 0 0 0.3547 15 11 1 3 0 0 0 0.5 0.5 2.5 0 10 430.164 0.666 0.333 0.333 0.666 -2 15 838 2 4 0 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 4 11 0 0 4 0 4 7 0 0 0 0 0 2 7 0 6 0 0 0 9 6 0 0 2 8 0 3 0 0 0 4 0 0 0 0 0 -4.012 17 10 3 4 0 0 0 3 0 4 0 8 420.848 0 0 0 0 -1 20 947 2 0 0 2 0 3 2 0 0 0 0 2 0 0 0 0 0 0 0 6 0 0 8 6 3 0 8 3 2 4 0 0 0 0 0 13 2 0 2 0 0 0 15 2 0 0 3 10 0 1 0 1 0 1 3 0 0 0 0 -2.2012 19 13 2 4 0 0 0 1 1 2.5 0 5 511.32 2.665 1.665 1 2.665 4 34 866 0 0 0 2 0 1 6 0 0 0 0 4 0 0 0 0 0 0 0 6 0 0 6 12 1 0 6 1 4 8 0 0 1 0 0 14 0 0 4 0 0 1 14 4 0 0 # 4.36 12.75 23.99 # THR Env_2nnq_28 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 63 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.0136 1 1 0 0 0 0 0 0 0 0 0 0 33.51 0 0 0 0 1 2 21 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 1 1 0 0 1 0 0 1 0 0 0 -1.6553 5 2 2 1 0 0 1 1.5 0.5 0 2 0 122.196 0 0 0 0.5 -2 15 34 0 0 0 0 0 1 1 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 4 0 0 2 2 1 0 0 0 0 0 5 0 0 0 0 0 0 5 0 0 0 2 7 3 0 0 0 1 0 0 0 0 0 0 -0.5717 13 12 1 0 0 0 0 0.5 0.5 0 4 2 382.359 0 0 0 0.5 6 30 187 0 0 0 0 0 2 2 0 2 2 0 0 0 2 0 1 1 0 0 1 0 0 5 2 6 0 5 4 2 2 0 0 0 0 0 12 0 0 1 0 0 0 12 1 0 0 2 9 3 3 0 0 0 4 0 0 0 0 0 -2.1325 21 14 3 4 0 0 0 3 0 4 3 11 530.618 0 0 0 0 0 22 781 0 0 0 2 0 2 2 0 1 3 0 0 0 2 0 1 3 0 0 5 0 0 10 4 7 0 10 6 1 4 0 0 0 0 0 18 0 0 3 0 0 0 18 3 0 0 6 9 2 7 4 0 0 7 0 1 0 0 0 -7.6429 36 17 11 8 0 0 1 9 2 7 2 24 844.04 1.332 0 1.332 1.332 -12 40 1173 1 5 0 1 0 2 1 0 1 4 0 3 0 4 0 3 3 0 0 8 0 0 17 10 9 0 17 8 9 2 0 0 0 0 0 30 1 0 5 0 0 0 31 5 0 0 # 6.38667 15.8667 18.4767 # GLU Env_2nnq_29 1 0 0 0 0 0 0 0 1 0 0 0 0 -0.0323 2 1 0 1 0 0 0 0 0 1 0 2 45.004 0 0 0 0 -1 0 216 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 -0.8054 1 0 0 1 0 0 0 0 0 0 0 1 14.137 0 0 0 0 -1 0 108 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 2 0 1 0 0 0 1 0 0 0 0 0 -0.6212 5 3 1 1 0 0 0 1 0 1 0 4 126.161 0 0 0 0 -1 1 548 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 2 0 0 3 0 2 0 0 0 0 0 0 2 0 0 3 0 0 0 2 3 0 0 0 2 0 0 0 1 0 0 0 0 0 0 0 -0.6496 3 2 1 0 0 0 0 0 1 0 0 1 100.53 1 0 1 1 2 6 321 0 2 0 0 0 0 0 0 0 0 0 1 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 5 0 1 0 0 0 2 0 0 0 0 0 -0.9171 9 6 1 2 0 0 0 1 0 2 0 4 238.185 0 0 0 0 -1 14 851 0 3 0 0 0 0 2 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 8 1 0 0 1 6 2 0 0 0 0 0 9 0 0 0 0 0 0 9 0 0 0 1 7 0 2 0 0 0 0 0 0 0 0 0 -0.0245 10 8 2 0 0 0 0 2 0 0 0 6 296.354 0 0 0 0 1 5 610 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 4 2 0 0 0 0 0 4 6 0 2 4 2 2 0 0 0 0 0 10 0 0 0 0 0 0 10 0 0 0 # 0 0 0 # TYR Env_2nnq_30 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 27 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 54 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 1 1 0 2 0 0 0 2 0 0 0 0 0 -1.4775 6 2 2 2 0 0 0 2 0 2 0 5 118.282 0 0 0 0 -3 1 172 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 3 0 0 0 0 0 0 1 1 4 0 1 4 0 1 0 0 0 0 0 4 0 0 2 0 0 0 4 2 0 0 4 6 0 3 0 0 0 4 0 0 0 0 0 -0.9089 17 10 3 4 0 0 0 3 0 4 0 14 423.487 0 0 0 0 -6 6 673 0 0 4 0 0 0 3 0 0 0 0 3 2 0 3 2 0 0 0 0 0 0 5 6 6 0 5 6 3 3 0 0 0 0 0 8 0 0 9 0 0 0 8 9 0 0 4 9 0 3 0 0 0 2 0 3 0 0 0 -2.0523 21 13 3 5 0 0 3 3 0 2 0 11 549.861 0 0 0 0 -5 21 826 0 0 4 0 0 0 0 0 0 0 0 2 3 0 3 2 6 0 1 0 0 0 6 2 13 0 6 13 2 0 0 0 0 0 0 14 0 0 7 0 0 0 14 7 0 0 6 7 1 6 0 0 0 5 0 0 1 0 0 -3.5769 26 14 6 5 1 0 0 6 0 5 2 15 615.394 0 0 0 0 -3 26 1758 0 0 5 0 0 0 1 0 0 5 0 8 2 0 0 2 0 1 2 0 0 0 7 9 10 0 8 9 8 1 0 0 0 0 0 14 0 0 12 0 0 0 14 12 0 0 # -0.26 7.24 13.66 # SER Env_2nnq_31 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 8 120 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 3 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 40 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 1 0 0 0 0 0 1 0 0 0 1 1 1 1 2 0 0 1 0 1 0 0 0 -1.7842 8 3 3 2 0 0 1 1.5 1.5 1 0 4 175.395 0.666 0 0.666 0.666 -5 17 271 0 3 0 4 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 7 1 0 0 1 3 4 0 0 0 0 0 0 4 0 4 0 0 0 4 4 0 0 2 6 0 3 1 0 0 0 0 0 0 0 0 -1.1342 12 8 4 0 0 0 0 3.5 0.5 0 0 5 334.92 0.333 0 0.333 0.333 0 17 411 2 5 0 1 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 0 4 6 2 0 4 2 5 1 0 0 1 0 0 0 2 0 9 0 0 1 2 9 0 0 1 12 0 2 0 0 0 4 0 0 0 0 0 -3.3422 19 13 2 4 0 0 0 2 0 4 0 12 509.88 0 0 0 0 1 10 825 3 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 5 0 0 8 6 5 0 8 5 2 4 0 0 2 0 0 0 3 0 14 0 0 2 3 14 0 0 6 8 3 3 0 0 0 4 0 0 1 0 0 -0.7539 25 17 3 4 1 0 0 3 0 4 3 14 650.68 0.333 0.333 0 0.333 1 31 901 0 1 0 1 0 1 0 5 0 0 0 1 5 2 0 0 1 1 0 7 0 0 14 3 3 5 15 7 2 1 0 0 10 0 0 5 4 2 4 0 0 10 11 4 0 0 # 4.79 9.89667 25.43 # ASP Env_2nnq_32 1 0 0 0 0 0 0 0 1 0 0 0 0 -0.0323 2 1 0 1 0 0 0 0 0 1 0 2 45.004 0 0 0 0 -1 0 216 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 -0.8054 1 0 0 1 0 0 0 0 0 0 0 1 14.137 0 0 0 0 -1 0 108 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 2 0 1 0 0 0 1 0 0 0 0 0 -0.6212 5 3 1 1 0 0 0 1 0 1 0 4 126.161 0 0 0 0 -1 1 548 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 2 0 0 3 0 2 0 0 0 0 0 0 2 0 0 3 0 0 0 2 3 0 0 0 2 0 0 0 1 0 0 0 0 0 0 0 -0.6496 3 2 1 0 0 0 0 0 1 0 0 1 100.53 1 0 1 1 2 6 321 0 2 0 0 0 0 0 0 0 0 0 1 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 5 0 1 0 0 0 2 0 0 0 0 0 -0.9171 9 6 1 2 0 0 0 1 0 2 0 4 238.185 0 0 0 0 -1 14 851 0 3 0 0 0 0 2 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 8 1 0 0 1 6 2 0 0 0 0 0 9 0 0 0 0 0 0 9 0 0 0 1 7 0 2 0 0 0 0 0 0 0 0 0 -0.0245 10 8 2 0 0 0 0 2 0 0 0 6 296.354 0 0 0 0 1 5 610 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 4 2 0 0 0 0 0 4 6 0 2 4 2 2 0 0 0 0 0 10 0 0 0 0 0 0 10 0 0 0 # 0 0 0 # TYR Env_2nnq_33 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 41 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 3 123 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 2 3 0 1 0 0 0 1 0 0 0 0 0 0.1675 7 5 1 1 0 0 0 1 0 1 0 4 193.181 0 0 0 0 -1 9 505 0 0 2 0 0 0 0 0 0 0 0 3 0 0 0 0 2 0 0 0 0 0 0 3 4 0 0 4 3 0 0 0 0 0 0 2 0 0 5 0 0 0 2 5 0 0 1 5 0 3 0 1 0 2 0 0 0 0 0 -2.5398 12 6 4 2 0 0 0 3 1 2 0 9 299.969 1 0 1 1 -2 7 817 3 0 2 0 0 0 1 0 0 0 0 5 0 0 0 0 1 0 0 0 0 0 3 6 3 0 3 3 5 1 0 0 0 0 0 2 3 0 7 0 0 0 5 7 0 0 3 3 0 1 0 0 0 4 0 1 0 0 0 -1.4351 12 6 1 5 0 0 1 1 0 4 0 9 278.33 0 0 0 0 -5 4 572 2 0 1 0 0 0 1 0 0 0 0 1 0 0 0 4 2 0 0 1 0 0 3 2 7 0 3 7 1 1 0 0 0 0 0 6 2 0 4 0 0 0 8 4 0 0 5 5 2 7 0 0 0 2 0 1 0 0 0 -2.8247 22 12 7 3 0 0 1 7 0 2 2 15 524.607 0 0 0 0 -6 17 1249 0 0 2 1 0 0 5 0 0 2 0 1 0 4 0 4 2 0 0 1 0 0 7 7 8 0 7 8 1 6 0 0 0 0 0 9 1 4 8 0 0 0 14 8 0 0 # -1.4 11.2 18.24 # THR Env_2nnq_34 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 33 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 11 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 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 11 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 6 3 1 2 0 1 0 2 1 0 0 0 -3.6668 17 10 4 3 0 0 1 2.5 1.5 1 3 2 424.265 1.998 0.999 0.999 2.498 -3 51 219 0 3 0 0 0 2 3 0 3 1 0 0 0 0 0 1 3 0 0 1 0 0 2 6 9 0 2 6 6 3 0 0 0 0 0 12 0 0 5 0 0 0 12 5 0 0 3 8 3 1 1 0 1 4 0 3 0 0 0 -3.5157 24 14 3 7 0 0 3 1.5 1.5 4 4 9 588.531 0 0 0 0.5 -3 38 374 0 1 0 0 0 2 2 0 3 1 0 1 0 0 0 1 6 2 1 4 0 0 5 4 15 0 7 10 5 2 0 0 1 0 0 20 0 0 3 0 0 1 20 3 0 0 8 17 5 8 1 0 0 3 1 0 0 0 0 -3.8596 43 30 9 4 0 0 0 8.5 0.5 3.5 6 27 1131.68 0.666 0.333 0.333 0.666 -2 50 1073 1 5 0 1 0 0 3 0 3 4 0 3 0 0 0 2 7 4 2 8 0 0 13 12 18 0 17 11 11 4 0 0 4 0 0 31 2 0 6 0 0 4 33 6 0 0 # 9.08333 13.5733 20.7433 # GLN Env_2nnq_35 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 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 -1.1414 4 3 1 0 0 0 0 1 0 0 0 2 114.667 0 0 0 0 1 4 44 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 0 0 2 1 0 1 0 0 0 2 0 0 0 0 0 -0.318 6 3 1 2 0 0 0 1 0 2 0 5 137.655 0 0 0 0 -2 2 160 0 1 0 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 2 0 0 3 1 0 2 3 2 1 0 0 0 2 0 0 0 1 0 3 0 0 2 1 3 0 0 3 8 0 1 0 0 0 2 1 0 1 0 0 -0.6533 16 11 1 3 1 0 0 1 0 2.5 0 8 433.462 0.666 0.666 0 0.666 1 16 525 0 2 0 3 0 0 0 6 0 0 0 0 5 0 0 0 0 0 0 0 0 0 5 5 0 6 5 6 2 3 0 0 7 0 0 0 6 0 3 0 0 7 6 3 0 0 3 10 1 5 2 0 0 2 1 1 0 0 0 -3.7563 25 14 7 4 0 0 1 5.5 1.5 2.5 0 15 626.184 0.999 0.333 0.666 0.999 -7 30 1038 0 5 0 2 0 0 0 0 0 0 0 3 2 1 0 0 6 0 0 6 0 0 9 10 6 0 9 6 8 2 0 0 23 0 0 0 2 0 0 0 0 23 2 0 0 0 5 7 1 3 3 0 0 7 1 0 0 0 0 -5.1487 27 13 6 8 0 0 0 4 2 7.5 0 16 629.142 1.332 0.333 0.999 1.332 -9 35 1467 1 8 0 5 0 0 2 0 0 0 0 3 0 4 0 0 1 0 2 1 0 0 6 18 3 0 6 3 11 7 0 0 19 0 0 0 3 0 5 0 0 19 3 5 0 0 # 5.67 5.65 28.17 # VAL Env_2nnq_36 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 10 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 10 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 1 0 0 0 0 0 0 0 0 0 -0.3944 2 1 1 0 0 0 0 1 0 0 0 2 47.647 0 0 0 0 -1 0 20 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 2 0 0 0 0 0 0 2 0 0 0 4 7 4 1 0 0 0 4 0 1 0 0 0 -2.2884 21 15 1 5 0 0 1 1 0 4 5 9 539.033 0 0 0 0 3 35 454 0 1 0 0 2 0 4 0 0 3 0 0 0 2 0 2 0 0 4 3 0 0 8 5 8 0 8 8 1 4 0 0 6 0 0 15 0 0 0 0 0 6 15 0 0 0 2 9 4 6 0 0 0 1 0 1 0 0 0 -2.7696 23 15 6 2 0 0 1 6 0 1 4 12 582.225 0 0 0 0 1 26 477 0 3 0 0 0 0 1 0 0 4 0 1 0 1 0 4 2 0 4 3 0 0 8 5 10 0 8 10 4 1 0 0 5 0 0 18 0 0 0 0 0 5 18 0 0 0 5 12 5 1 4 0 0 5 0 1 0 0 0 -3.5016 33 22 5 6 0 0 1 2 3 5 3 16 863.229 1.332 0 1.332 1.332 -1 53 1370 0 9 0 0 0 0 1 0 0 1 0 3 0 5 0 0 7 0 0 7 0 0 13 13 7 0 13 7 12 1 0 0 5 0 0 28 0 0 0 0 0 5 28 0 0 0 # 11.23 6.11 17.62 # CYS