data_3im3_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3im3 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.744 0.307 . . . . 65.38 110.995 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.76 -41.84 78.31 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.14 -0.624 . . . . 57.04 110.006 176.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.8 ttm105 -63.19 -38.29 90.59 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.035 -0.728 . . . . 66.58 109.035 -178.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -55.12 -51.93 64.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.823 -1.08 . . . . 78.09 110.32 174.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.8 t -61.82 -47.07 86.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.919 -0.582 . . . . 39.64 111.016 -179.486 176.724 -85.673 76.583 164.222 23.059 126.433 100.717 -71.825 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -53.4 -48.7 68.46 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.372 0.669 . . . . 76.34 110.784 178.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.0 -41.59 99.63 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.294 0.479 . . . . 57.91 112.294 179.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -64.33 -45.59 87.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.169 0.509 . . . . 32.1 109.91 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.2 t -60.6 -42.19 90.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.039 -0.528 . . . . 42.05 110.509 179.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.3 -46.33 80.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.669 -0.696 . . . . 81.45 110.273 178.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -56.78 -40.51 76.02 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.368 0.877 . . . . 75.68 113.368 -178.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -102.65 16.6 25.96 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.064 0.765 . . . . 40.14 113.064 -175.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.1 t30 57.58 28.4 15.58 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.348 0.499 . . . . 45.54 112.348 172.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 42.4 mm -61.18 -40.53 86.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 112.543 0.571 . . . . 32.78 112.543 -173.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -60.42 -51.81 67.9 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 119.887 -0.725 . . . . 64.19 112.108 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.77 92.49 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.715 1.006 . . . . 36.22 113.715 178.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 99.0 mt -67.07 -40.17 86.97 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.506 -0.478 . . . . 41.27 111.031 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.2 mt -71.1 -40.9 71.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 43.94 110.396 179.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -54.36 -52.06 62.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.466 0.651 . . . . 91.11 110.25 174.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.58 -37.65 87.02 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.91 -0.586 . . . . 57.61 112.039 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.7 p -67.1 -39.34 86.71 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.982 -0.687 . . . . 32.41 109.638 -178.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.64 -42.28 94.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.182 -0.463 . . . . 42.96 111.852 175.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.98 -40.57 87.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 119.755 -0.778 . . . . 29.55 111.631 178.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLN . . . . . 0.417 ' CG ' ' O ' ' A' ' 114' ' ' HOH . 4.1 tp60 -67.15 -40.93 86.79 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.771 -0.372 . . . . 28.37 111.077 179.447 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.0 mt -57.67 -50.45 73.14 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.09 0.404 . . . . 31.63 112.09 176.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.9 m -68.18 -34.85 77.05 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.057 0.762 . . . . 38.7 113.057 178.992 -71.825 100.717 76.583 126.433 23.059 164.222 -85.673 176.724 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.6 m -69.31 -48.07 62.65 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.696 0.284 . . . . 30.12 111.624 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.24 -27.58 27.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.702 0.63 . . . . 28.43 112.702 -175.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 49.16 65.3 7.26 Favored Pre-proline 0 N--CA 1.464 0.264 0 N-CA-C 113.152 0.797 . . . . 47.67 113.152 -172.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -55.73 138.35 81.07 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 120.936 1.091 . . . . 33.53 113.319 178.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.54 -26.23 67.8 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 107.839 -1.171 . . . . 58.18 107.839 166.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -127.73 82.41 68.4 Favored Pre-proline 0 N--CA 1.453 -0.281 0 CA-C-N 115.812 -0.631 . . . . 41.35 110.388 -176.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.45 -39.08 17.65 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.938 2.425 . . . . 27.61 112.907 -175.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.0 mmt -66.5 -44.04 83.69 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 120.986 -0.286 . . . . 37.1 110.996 179.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.99 -44.25 87.07 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.716 0.293 . . . . 25.68 110.24 173.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -56.41 -51.04 69.86 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.979 0.363 . . . . 40.34 111.979 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.62 -40.45 97.01 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 112.696 0.628 . . . . 25.76 112.696 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -59.68 -47.87 83.92 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.665 -0.814 . . . . 31.02 110.577 176.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -68.0 -35.3 78.08 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.724 -0.39 . . . . 40.63 111.244 -178.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -57.51 -51.31 69.98 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.226 0.536 . . . . 37.72 110.64 178.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -74.92 -28.03 60.45 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.749 1.018 . . . . 39.94 113.749 178.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -59.31 -38.74 81.02 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.877 -0.729 . . . . 51.92 110.931 178.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -67.28 -33.47 75.37 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.361 -0.536 . . . . 60.97 111.442 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.7 mt -74.71 -34.6 62.62 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.355 0.502 . . . . 37.61 112.355 175.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -60.78 -36.25 78.49 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.44 -0.948 . . . . 36.37 108.44 176.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -61.98 -42.62 99.34 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.557 -0.747 . . . . 86.03 111.711 -179.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -69.63 -35.62 75.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.358 -0.537 . . . . 100.7 111.101 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -59.46 -40.47 86.98 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.471 -0.786 . . . . 49.65 112.785 179.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.76 -9.81 52.87 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.816 0.672 . . . . 58.38 112.816 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.3 tttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 103.05 111.768 -176.475 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . 0.417 ' O ' ' CG ' ' A' ' 35' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.744 0.307 . . . . 65.38 110.995 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.76 -41.84 78.31 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.14 -0.624 . . . . 57.04 110.006 176.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.8 ttm105 -63.19 -38.29 90.59 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.035 -0.728 . . . . 66.58 109.035 -178.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -55.12 -51.93 64.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.823 -1.08 . . . . 78.09 110.32 174.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.8 t -61.82 -47.07 86.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.919 -0.582 . . . . 39.64 111.016 -179.486 176.724 -85.673 76.583 164.222 23.059 126.433 100.717 -71.825 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -53.4 -48.7 68.46 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.372 0.669 . . . . 76.34 110.784 178.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.0 -41.59 99.63 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.294 0.479 . . . . 57.91 112.294 179.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -64.33 -45.59 87.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.169 0.509 . . . . 32.1 109.91 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . 0.525 HG13 ' HB ' ' A' ' 25' ' ' ILE . 19.2 t -60.6 -42.19 90.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.039 -0.528 . . . . 42.05 110.509 179.04 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.3 -46.33 80.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.669 -0.696 . . . . 81.45 110.273 178.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -56.78 -40.51 76.02 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.368 0.877 . . . . 75.68 113.368 -178.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -102.65 16.6 25.96 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.064 0.765 . . . . 40.14 113.064 -175.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.1 t30 57.58 28.4 15.58 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.348 0.499 . . . . 45.54 112.348 172.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . 0.525 ' HB ' HG13 ' A' ' 20' ' ' VAL . 42.4 mm -61.18 -40.53 86.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 112.543 0.571 . . . . 32.78 112.543 -173.89 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -60.42 -51.81 67.9 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 119.887 -0.725 . . . . 64.19 112.108 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.77 92.49 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.715 1.006 . . . . 36.22 113.715 178.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 99.0 mt -67.07 -40.17 86.97 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.506 -0.478 . . . . 41.27 111.031 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.2 mt -71.1 -40.9 71.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 43.94 110.396 179.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -54.36 -52.06 62.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.466 0.651 . . . . 91.11 110.25 174.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.58 -37.65 87.02 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.91 -0.586 . . . . 57.61 112.039 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.7 p -67.1 -39.34 86.71 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.982 -0.687 . . . . 32.41 109.638 -178.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.64 -42.28 94.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.182 -0.463 . . . . 42.96 111.852 175.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.98 -40.57 87.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 119.755 -0.778 . . . . 29.55 111.631 178.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLN . . . . . 0.831 ' HG3' ' O ' ' A' ' 114' ' ' HOH . 4.1 tp60 -67.15 -40.93 86.79 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.771 -0.372 . . . . 31.77 111.077 179.447 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . 0.456 HD23 ' HG2' ' A' ' 41' ' ' PRO . 14.0 mt -57.67 -50.45 73.14 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.09 0.404 . . . . 31.63 112.09 176.487 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.9 m -68.18 -34.85 77.05 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.057 0.762 . . . . 38.7 113.057 178.992 -71.825 100.717 76.583 126.433 23.059 164.222 -85.673 176.724 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.6 m -69.31 -48.07 62.65 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.696 0.284 . . . . 30.12 111.624 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.24 -27.58 27.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.702 0.63 . . . . 28.43 112.702 -175.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 49.16 65.3 7.26 Favored Pre-proline 0 N--CA 1.464 0.264 0 N-CA-C 113.152 0.797 . . . . 47.67 113.152 -172.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HG2' HD23 ' A' ' 36' ' ' LEU . 86.8 Cg_exo -55.73 138.35 81.07 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 120.936 1.091 . . . . 33.53 113.319 178.023 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.54 -26.23 67.8 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 107.839 -1.171 . . . . 58.18 107.839 166.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -127.73 82.41 68.4 Favored Pre-proline 0 N--CA 1.453 -0.281 0 CA-C-N 115.812 -0.631 . . . . 41.35 110.388 -176.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.45 -39.08 17.65 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.938 2.425 . . . . 27.61 112.907 -175.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.0 mmt -66.5 -44.04 83.69 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 120.986 -0.286 . . . . 37.1 110.996 179.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.99 -44.25 87.07 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.716 0.293 . . . . 25.68 110.24 173.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -56.41 -51.04 69.86 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.979 0.363 . . . . 40.34 111.979 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.62 -40.45 97.01 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 112.696 0.628 . . . . 25.76 112.696 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -59.68 -47.87 83.92 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.665 -0.814 . . . . 31.02 110.577 176.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -68.0 -35.3 78.08 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.724 -0.39 . . . . 40.63 111.244 -178.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -57.51 -51.31 69.98 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.226 0.536 . . . . 37.72 110.64 178.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -74.92 -28.03 60.45 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.749 1.018 . . . . 39.94 113.749 178.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -59.31 -38.74 81.02 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.877 -0.729 . . . . 51.92 110.931 178.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -67.28 -33.47 75.37 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.361 -0.536 . . . . 60.97 111.442 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.7 mt -74.71 -34.6 62.62 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.355 0.502 . . . . 37.61 112.355 175.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -60.78 -36.25 78.49 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.44 -0.948 . . . . 36.37 108.44 176.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -61.98 -42.62 99.34 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.557 -0.747 . . . . 86.03 111.711 -179.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -69.63 -35.62 75.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.358 -0.537 . . . . 100.7 111.101 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -59.46 -40.47 86.98 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.471 -0.786 . . . . 49.65 112.785 179.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.76 -9.81 52.87 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.816 0.672 . . . . 58.38 112.816 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.3 tttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 103.05 111.768 -176.475 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . 0.831 ' O ' ' HG3' ' A' ' 35' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.744 0.307 . . . . 65.379999999999995 110.995 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.76 -41.84 78.31 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.14 -0.624 . . . . 57.039999999999999 110.006 176.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.8 ttm105 -63.19 -38.29 90.59 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.035 -0.728 . . . . 66.579999999999998 109.035 -178.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -55.12 -51.93 64.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.823 -1.08 . . . . 78.090000000000003 110.32 174.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.8 t -61.82 -47.07 86.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.919 -0.582 . . . . 39.640000000000001 111.016 -179.486 176.724 -85.673 76.583 164.222 23.059 126.433 100.717 -71.825 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -53.4 -48.7 68.46 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.372 0.669 . . . . 76.340000000000003 110.784 178.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.0 -41.59 99.63 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.294 0.479 . . . . 57.909999999999997 112.294 179.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -64.33 -45.59 87.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.169 0.509 . . . . 32.100000000000001 109.91 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.525 HG13 ' HB ' ' A' ' 25' ' ' ILE . 19.2 t -60.6 -42.19 90.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.039 -0.528 . . . . 42.049999999999997 110.509 179.04 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.3 -46.33 80.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.669 -0.696 . . . . 81.450000000000003 110.273 178.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -56.78 -40.51 76.02 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.368 0.877 . . . . 75.680000000000007 113.368 -178.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -102.65 16.6 25.96 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.064 0.765 . . . . 40.140000000000001 113.064 -175.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.1 t30 57.58 28.4 15.58 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.348 0.499 . . . . 45.539999999999999 112.348 172.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.525 ' HB ' HG13 ' A' ' 20' ' ' VAL . 42.4 mm -61.18 -40.53 86.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 112.543 0.571 . . . . 32.780000000000001 112.543 -173.89 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -60.42 -51.81 67.9 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 119.887 -0.725 . . . . 64.189999999999998 112.108 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.77 92.49 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.715 1.006 . . . . 36.219999999999999 113.715 178.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 99.0 mt -67.07 -40.17 86.97 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.506 -0.478 . . . . 41.270000000000003 111.031 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.2 mt -71.1 -40.9 71.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 43.939999999999998 110.396 179.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -54.36 -52.06 62.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.466 0.651 . . . . 91.109999999999999 110.25 174.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.58 -37.65 87.02 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.91 -0.586 . . . . 57.609999999999999 112.039 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.7 p -67.1 -39.34 86.71 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.982 -0.687 . . . . 32.409999999999997 109.638 -178.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.64 -42.28 94.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.182 -0.463 . . . . 42.960000000000001 111.852 175.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.98 -40.57 87.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 119.755 -0.778 . . . . 29.550000000000001 111.631 178.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.831 ' HG3' ' O ' ' A' ' 114' ' ' HOH . 4.1 tp60 -67.15 -40.93 86.79 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.771 -0.372 . . . . 31.77 111.077 179.447 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.456 HD23 ' HG2' ' A' ' 41' ' ' PRO . 14.0 mt -57.67 -50.45 73.14 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.09 0.404 . . . . 31.629999999999999 112.09 176.487 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.9 m -68.18 -34.85 77.05 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.057 0.762 . . . . 38.700000000000003 113.057 178.992 -71.825 100.717 76.583 126.433 23.059 164.222 -85.673 176.724 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.6 m -69.31 -48.07 62.65 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.696 0.284 . . . . 30.120000000000001 111.624 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.24 -27.58 27.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.702 0.63 . . . . 28.43 112.702 -175.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 49.16 65.3 7.26 Favored Pre-proline 0 N--CA 1.464 0.264 0 N-CA-C 113.152 0.797 . . . . 47.670000000000002 113.152 -172.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HG2' HD23 ' A' ' 36' ' ' LEU . 86.8 Cg_exo -55.73 138.35 81.07 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 120.936 1.091 . . . . 33.530000000000001 113.319 178.023 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.54 -26.23 67.8 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 107.839 -1.171 . . . . 58.18 107.839 166.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -127.73 82.41 68.4 Favored Pre-proline 0 N--CA 1.453 -0.281 0 CA-C-N 115.812 -0.631 . . . . 41.350000000000001 110.388 -176.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.45 -39.08 17.65 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.938 2.425 . . . . 27.609999999999999 112.907 -175.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.0 mmt -66.5 -44.04 83.69 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 120.986 -0.286 . . . . 37.100000000000001 110.996 179.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.99 -44.25 87.07 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.716 0.293 . . . . 25.68 110.24 173.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -56.41 -51.04 69.86 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.979 0.363 . . . . 40.340000000000003 111.979 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.62 -40.45 97.01 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 112.696 0.628 . . . . 25.760000000000002 112.696 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -59.68 -47.87 83.92 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.665 -0.814 . . . . 31.02 110.577 176.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -68.0 -35.3 78.08 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.724 -0.39 . . . . 40.630000000000003 111.244 -178.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -57.51 -51.31 69.98 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.226 0.536 . . . . 37.719999999999999 110.64 178.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -74.92 -28.03 60.45 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.749 1.018 . . . . 39.939999999999998 113.749 178.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -59.31 -38.74 81.02 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.877 -0.729 . . . . 51.920000000000002 110.931 178.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -67.28 -33.47 75.37 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.361 -0.536 . . . . 60.969999999999999 111.442 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.7 mt -74.71 -34.6 62.62 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.355 0.502 . . . . 37.609999999999999 112.355 175.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -60.78 -36.25 78.49 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.44 -0.948 . . . . 36.369999999999997 108.44 176.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -61.98 -42.62 99.34 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.557 -0.747 . . . . 86.030000000000001 111.711 -179.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -69.63 -35.62 75.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.358 -0.537 . . . . 100.7 111.101 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -59.46 -40.47 86.98 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.471 -0.786 . . . . 49.649999999999999 112.785 179.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.76 -9.81 52.87 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.816 0.672 . . . . 58.380000000000003 112.816 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.3 tttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 103.05 111.768 -176.475 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . 0.831 ' O ' ' HG3' ' A' ' 35' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_