data_1dmn_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 1dmn _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 ' 2' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.519 2.991 0 N-CA-C 112.024 0.379 . . . . 56.82 112.024 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.7 tp -55.4 115.82 10.21 Favored Pre-proline 0 C--O 1.245 0.824 0 N-CA-C 105.389 -2.078 . . . . 47.22 105.389 178.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -60.31 147.98 91.81 Favored 'Trans proline' 0 CA--C 1.547 1.163 1 C-N-CA 112.977 -4.215 . . . . 31.36 112.97 -179.338 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.8 p -79.07 173.22 12.8 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 106.815 -1.55 . . . . 25.45 106.815 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.9 -43.02 63.17 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.827 0.346 . . . . 19.76 111.773 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -69.68 -32.16 70.63 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.776 1.028 . . . . 58.38 113.776 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -73.11 -38.43 66.35 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 108.492 -0.929 . . . . 39.34 108.492 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.8 t -59.77 -42.12 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-O 118.228 -0.892 . . . . 18.56 110.789 177.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.21 -38.9 90.94 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.63 1.105 . . . . 20.79 111.882 177.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.65 -41.09 76.33 Favored Glycine 0 C--O 1.216 -0.971 0 C-N-CA 120.351 -0.928 . . . . 15.43 114.678 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.8 mt -65.91 -41.52 91.35 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-O 121.831 0.824 . . . . 20.14 111.483 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.0 mtp -70.01 -33.45 72.02 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 114.548 -1.205 . . . . 17.23 112.556 -178.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.55 -31.74 67.35 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.871 0.843 . . . . 13.92 110.657 175.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -66.75 -43.93 82.81 Favored 'General case' 0 CA--C 1.495 -1.136 0 N-CA-C 107.366 -1.346 . . . . 26.71 107.366 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -51.63 -48.42 63.32 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 114.285 -1.325 . . . . 13.68 113.165 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.6 mm -64.85 -32.75 59.45 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.431 0 CA-C-O 121.339 0.59 . . . . 13.24 111.276 177.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -50.59 72.79 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.313 -1.366 . . . . 53.0 107.313 177.391 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.9 mt -64.41 -40.97 96.79 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 115.063 -0.971 . . . . 18.94 112.615 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.9 t -65.18 -39.05 84.23 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.264 0 C-N-CA 119.905 -0.718 . . . . 17.97 109.299 178.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.25 -46.22 91.26 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.11 1.152 . . . . 26.74 114.11 -179.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.8 m -73.77 -33.86 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 O-C-N 123.867 0.729 . . . . 21.22 110.816 178.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.01 29.14 13.24 Favored Glycine 0 N--CA 1.437 -1.237 0 C-N-CA 119.148 -1.501 . . . . 14.79 112.869 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -84.91 87.46 7.35 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 106.93 -1.508 . . . . 17.92 106.93 177.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . 0.252 89.1 mt -57.33 -37.94 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 118.488 2.773 . . . . 24.74 118.488 -179.123 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -69.42 -40.92 76.98 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-N 118.261 0.482 . . . . 36.42 110.872 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.05 77.49 Favored 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 109.853 -0.425 . . . . 13.84 109.853 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.6 mt -66.31 -51.18 61.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 120.276 -1.515 . . . . 13.46 110.066 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.9 t -52.39 -37.2 22.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 113.956 1.095 . . . . 15.15 113.956 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -74.39 -7.89 54.42 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 113.44 0.904 . . . . 57.07 113.44 -178.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 47.5 mtp -79.76 -20.53 46.1 Favored 'General case' 0 CA--C 1.512 -0.5 0 O-C-N 121.378 -0.826 . . . . 17.37 109.611 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -89.07 153.76 20.73 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.434 0.902 . . . . 14.69 113.434 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.08 156.99 38.96 Favored 'General case' 0 C--O 1.27 2.167 0 N-CA-C 103.668 -2.716 . . . . 11.8 103.668 176.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.98 -30.64 64.29 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 113.789 1.033 . . . . 21.95 113.789 -177.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASP . . . . . 0.476 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 31.4 p-10 -116.67 24.48 11.25 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 124.722 1.264 . . . . 28.36 112.823 -179.394 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.34 157.58 13.43 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 120.837 -1.164 . . . . 14.92 110.36 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.01 142.52 51.1 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 108.156 -1.053 . . . . 25.02 108.156 175.62 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 50.3 t -122.61 140.1 47.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 N-CA-C 107.265 -1.383 . . . . 16.07 107.265 -178.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -128.1 102.55 6.77 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 103.674 -2.713 . . . . 25.2 103.674 176.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -148.12 108.95 3.69 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 115.108 -0.951 . . . . 30.71 109.764 -175.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.04 156.24 99.88 Favored 'Cis proline' 0 CA--C 1.534 0.486 0 N-CA-C 110.342 -0.676 . . . . 26.2 110.342 -0.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -62.02 145.37 53.31 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 106.391 -1.707 . . . . 37.05 106.391 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.6 -18.92 37.23 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 106.037 -2.825 . . . . 38.44 106.037 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -96.62 147.29 32.71 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 124.969 1.308 . . . . 57.25 109.736 178.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -59.05 142.61 99.55 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 CA-C-O 121.219 0.425 . . . . 36.71 112.033 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -71.94 156.67 56.06 Favored 'Trans proline' 0 C--O 1.247 0.933 0 N-CA-C 118.46 2.446 . . . . 32.37 118.46 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 pt -111.21 136.53 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.256 0 N-CA-C 100.956 -3.72 . . . . 34.21 100.956 175.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HIS . . . . . 0.476 ' CE1' ' O ' ' A' ' 35' ' ' ASP . 38.1 t60 -117.18 142.07 47.49 Favored 'General case' 0 C--O 1.212 -0.912 0 N-CA-C 114.088 1.144 . . . . 46.84 114.088 -177.793 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.49 151.22 2.99 Favored Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 117.695 1.838 . . . . 13.75 117.695 176.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -52.94 -39.85 63.18 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 116.286 1.958 . . . . 16.2 116.286 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -56.12 -54.58 43.34 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 118.847 -1.141 . . . . 32.3 109.382 178.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -64.63 -30.38 71.4 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 114.416 1.265 . . . . 38.1 114.416 -179.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.5 mt -74.66 -39.36 46.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 O-C-N 121.716 -0.615 . . . . 14.67 109.526 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.29 97.69 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 106.783 -1.562 . . . . 16.41 106.783 -179.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.69 -42.62 97.98 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 120.39 -0.524 . . . . 20.45 111.94 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -57.66 -46.72 83.87 Favored 'General case' 0 C--O 1.25 1.11 0 C-N-CA 123.768 0.827 . . . . 21.95 111.0 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -69.84 -36.62 75.72 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.763 1.394 . . . . 23.48 114.763 179.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -65.05 -37.91 89.09 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-O 121.599 0.714 . . . . 50.93 109.471 178.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.5 -42.73 92.84 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 126.526 1.93 . . . . 60.92 112.204 178.282 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.2 -13.44 52.24 Favored Glycine 0 CA--C 1.542 1.724 1 N-CA-C 126.659 5.423 . . . . 40.98 126.659 -179.267 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . 0.282 9.5 mp -91.66 130.71 37.42 Favored 'General case' 0 CA--C 1.569 1.704 1 N-CA-C 128.296 6.406 . . . . 54.91 128.296 -174.879 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 173.73 15.19 0.0 OUTLIER 'General case' 1 N--CA 1.554 4.758 1 C-N-CA 135.577 5.551 . . . . 79.03 108.307 178.104 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . 0.532 ' CG1' ' N ' ' A' ' 67' ' ' ARG . 1.8 t -82.97 178.04 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 N-CA-C 116.448 2.018 . . . . 51.98 116.448 -176.76 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ARG . . . . . 0.532 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 4.2 ttt85 -126.88 129.41 48.16 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 102.003 -3.332 . . . . 61.34 102.003 175.211 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.19 134.34 36.18 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 120.909 -1.119 . . . . 20.93 109.697 -177.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' CYS . . . . . 0.88 ' SG ' ' O ' ' A' ' 543' ' ' HOH . 3.9 p -140.84 149.27 41.79 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.207 -0.997 . . . . 37.8 111.631 178.964 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.3 mt -73.52 131.15 41.43 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 106.67 -1.604 . . . . 22.78 106.67 176.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.7 p -105.64 9.78 33.13 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 119.506 1.048 . . . . 18.68 112.716 -179.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.8 169.73 42.24 Favored Glycine 0 N--CA 1.426 -1.996 0 N-CA-C 105.817 -2.913 . . . . 11.84 105.817 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.08 156.85 64.29 Favored 'Trans proline' 0 C--N 1.322 -0.85 0 N-CA-C 117.008 1.888 . . . . 13.6 117.008 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 66.5 t -79.28 127.47 39.07 Favored 'Isoleucine or valine' 0 C--O 1.25 1.129 0 N-CA-C 106.094 -1.817 . . . . 15.75 106.094 178.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -93.59 126.63 38.86 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 105.037 -2.209 . . . . 16.75 105.037 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -133.26 144.44 49.75 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.601 -1.24 . . . . 18.99 113.777 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.1 p -104.67 -174.45 2.54 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 108.781 -0.822 . . . . 27.82 108.781 177.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -94.66 -2.74 50.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.411 -0.813 . . . . 28.44 112.585 -176.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . 0.258 0.1 OUTLIER -105.88 28.0 7.99 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 118.075 2.621 . . . . 34.59 118.075 179.599 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.0 13.3 79.62 Favored Glycine 0 C--O 1.214 -1.099 0 N-CA-C 115.389 0.916 . . . . 20.07 115.389 177.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' CYS . . . . . 0.724 ' SG ' ' O ' ' A' ' 506' ' ' HOH . 52.0 m -108.23 154.55 21.6 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 117.289 0.544 . . . . 29.91 111.965 178.552 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.6 157.92 27.89 Favored Glycine 0 C--O 1.216 -1.012 0 N-CA-C 109.169 -1.572 . . . . 12.05 109.169 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -146.2 141.95 27.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 103.943 -2.614 . . . . 9.32 103.943 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 8.5 ptt? -148.79 145.2 19.32 Favored Pre-proline 0 C--O 1.203 -1.392 0 N-CA-C 112.895 0.702 . . . . 16.3 112.895 -178.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -97.31 140.98 0.6 Allowed 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 116.608 -1.795 . . . . 10.23 110.377 179.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -154.24 165.66 35.58 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.091 -1.044 . . . . 9.93 112.647 177.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -123.66 142.78 50.74 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 122.553 1.168 . . . . 44.96 110.645 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 65.0 t -120.5 130.41 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 N-CA-C 106.18 -1.785 . . . . 23.75 106.18 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -113.46 126.26 55.14 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.334 0.588 . . . . 47.02 109.692 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -137.46 -173.49 3.49 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 108.037 -1.097 . . . . 45.92 108.037 179.625 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 93.1 t -139.4 99.75 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.482 0 N-CA-C 103.882 -2.636 . . . . 68.59 103.882 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' GLN . 11.5 t90 -91.17 116.33 28.73 Favored 'General case' 0 C--O 1.25 1.127 0 CA-C-N 114.912 -1.04 . . . . 95.92 112.982 -179.354 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.8 m120 48.33 51.03 15.72 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 114.966 -1.016 . . . . 93.48 111.624 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.57 -24.2 10.82 Favored Glycine 0 C--O 1.238 0.354 0 N-CA-C 115.437 0.935 . . . . 84.18 115.437 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 92' ' ' TRP . 1.1 tt0 -99.35 133.12 22.23 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 117.476 0.638 . . . . 86.15 111.304 179.927 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -79.7 129.29 8.16 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.472 2.781 . . . . 63.21 113.028 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' CYS . . . . . 0.697 ' SG ' ' CG2' ' A' ' 127' ' ' VAL . 3.5 m -124.35 175.95 6.77 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-O 121.698 0.761 . . . . 54.04 110.462 179.043 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.14 143.3 30.28 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 104.947 -2.242 . . . . 30.79 104.947 179.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 45.8 tp -138.25 125.87 22.16 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.983 -1.008 . . . . 19.97 108.32 -178.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -97.14 128.29 43.91 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 105.451 -2.055 . . . . 14.79 105.451 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.4 t -136.4 154.34 32.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 O-C-N 120.743 -1.223 . . . . 10.45 110.248 -175.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.9 mt -125.43 123.67 65.38 Favored 'Isoleucine or valine' 0 C--O 1.25 1.097 0 N-CA-C 105.42 -2.067 . . . . 9.87 105.42 173.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -103.17 139.89 38.07 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 108.637 -0.875 . . . . 14.61 108.637 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.8 t -121.31 126.98 75.65 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.952 0 N-CA-C 104.719 -2.326 . . . . 11.38 104.719 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 55.6 mtt -129.03 149.38 50.88 Favored 'General case' 0 CA--C 1.479 -1.757 0 O-C-N 121.092 -1.005 . . . . 18.85 113.14 -177.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -120.38 129.66 54.04 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 105.471 -2.048 . . . . 62.27 105.471 174.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -99.08 153.55 18.8 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.765 0.826 . . . . 19.93 111.32 179.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 40.0 p30 -98.05 177.52 5.39 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-O 122.208 1.004 . . . . 23.86 111.676 177.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -59.64 5.49 0.03 OUTLIER 'General case' 0 CA--C 1.479 -1.777 0 CA-C-N 113.6 -1.636 . . . . 55.95 112.249 -178.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -124.43 0.48 8.28 Favored 'General case' 0 CA--C 1.488 -1.422 0 C-N-CA 123.677 0.791 . . . . 53.93 112.555 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.92 18.7 66.99 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 118.234 -1.936 . . . . 24.74 113.38 -178.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.1 mtm-85 -108.86 153.1 23.99 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 107.462 -1.311 . . . . 62.93 107.462 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 68.0 mt -72.53 119.55 19.45 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.381 0 N-CA-C 108.924 -0.769 . . . . 16.2 108.924 -179.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -94.4 -38.27 11.04 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.643 0.735 . . . . 45.07 109.296 -178.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.7 t -145.98 142.79 29.0 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 119.689 -0.804 . . . . 30.39 109.678 -179.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -138.42 139.05 38.75 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 121.313 -0.867 . . . . 35.02 110.232 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -134.51 132.44 39.19 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.26 -0.645 . . . . 39.45 109.26 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -114.79 129.34 56.68 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-O 121.419 0.628 . . . . 14.64 110.678 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -105.67 119.88 40.25 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 116.012 -0.54 . . . . 16.74 110.232 -178.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -179.24 163.86 1.32 Allowed 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 106.08 -1.822 . . . . 19.7 106.08 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.2 p -159.04 -171.96 3.59 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 103.396 -2.816 . . . . 16.13 103.396 175.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -59.03 -23.32 61.86 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 115.519 1.674 . . . . 34.59 115.519 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.15 -14.82 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 O-C-N 121.933 -0.479 . . . . 17.43 110.744 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -102.99 9.38 38.69 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 113.844 1.053 . . . . 17.95 113.844 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.9 tt -101.06 134.6 43.82 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 124.053 0.941 . . . . 35.84 110.595 -179.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.7 m -120.33 91.13 3.47 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 104.916 -2.253 . . . . 41.03 104.916 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' VAL . . . . . 0.697 ' CG2' ' SG ' ' A' ' 97' ' ' CYS . 3.3 p . . . . . 0 C--O 1.261 1.685 0 CA-C-O 116.943 -1.503 . . . . 51.12 112.458 179.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' HOH . . . . . 0.724 ' O ' ' SG ' ' A' ' 81' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 543' ' ' HOH . . . . . 0.88 ' O ' ' SG ' ' A' ' 69' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.519 2.991 0 N-CA-C 112.024 0.379 . . . . 56.82 112.024 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.7 tp -55.4 115.82 10.21 Favored Pre-proline 0 C--O 1.245 0.824 0 N-CA-C 105.389 -2.078 . . . . 47.22 105.389 178.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -60.31 147.98 91.81 Favored 'Trans proline' 0 CA--C 1.547 1.163 1 C-N-CA 112.977 -4.215 . . . . 31.36 112.97 -179.338 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.8 p -79.07 173.22 12.8 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 106.815 -1.55 . . . . 25.45 106.815 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.9 -43.02 63.17 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.827 0.346 . . . . 19.76 111.773 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -69.68 -32.16 70.63 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.776 1.028 . . . . 58.38 113.776 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -73.11 -38.43 66.35 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 108.492 -0.929 . . . . 39.34 108.492 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.8 t -59.77 -42.12 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-O 118.228 -0.892 . . . . 18.56 110.789 177.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.21 -38.9 90.94 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.63 1.105 . . . . 20.79 111.882 177.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.65 -41.09 76.33 Favored Glycine 0 C--O 1.216 -0.971 0 C-N-CA 120.351 -0.928 . . . . 15.43 114.678 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.8 mt -65.91 -41.52 91.35 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-O 121.831 0.824 . . . . 20.14 111.483 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.0 mtp -70.01 -33.45 72.02 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 114.548 -1.205 . . . . 17.23 112.556 -178.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.55 -31.74 67.35 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.871 0.843 . . . . 13.92 110.657 175.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -66.75 -43.93 82.81 Favored 'General case' 0 CA--C 1.495 -1.136 0 N-CA-C 107.366 -1.346 . . . . 26.71 107.366 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -51.63 -48.42 63.32 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 114.285 -1.325 . . . . 13.68 113.165 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.6 mm -64.85 -32.75 59.45 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.431 0 CA-C-O 121.339 0.59 . . . . 13.24 111.276 177.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -50.59 72.79 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.313 -1.366 . . . . 53.0 107.313 177.391 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 19' ' ' LEU . 74.9 mt -64.41 -40.97 96.79 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 115.063 -0.971 . . . . 18.94 112.615 -179.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.9 t -65.18 -39.05 84.23 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.264 0 C-N-CA 119.905 -0.718 . . . . 17.97 109.299 178.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.25 -46.22 91.26 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.11 1.152 . . . . 26.74 114.11 -179.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.8 m -73.77 -33.86 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 O-C-N 123.867 0.729 . . . . 21.22 110.816 178.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' HA2' HD23 ' A' ' 61' ' ' LEU . . . 91.01 29.14 13.24 Favored Glycine 0 N--CA 1.437 -1.237 0 C-N-CA 119.148 -1.501 . . . . 14.79 112.869 178.804 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -84.91 87.46 7.35 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 106.93 -1.508 . . . . 17.92 106.93 177.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 29' ' ' VAL 0.252 89.1 mt -57.33 -37.94 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 118.488 2.773 . . . . 24.74 118.488 -179.123 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -69.42 -40.92 76.98 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-N 118.261 0.482 . . . . 36.42 110.872 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.05 77.49 Favored 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 109.853 -0.425 . . . . 13.84 109.853 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.6 mt -66.31 -51.18 61.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 120.276 -1.515 . . . . 13.46 110.066 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 25' ' ' ILE . 67.9 t -52.39 -37.2 22.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 113.956 1.095 . . . . 15.15 113.956 -179.175 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 6.1 tp60 -74.39 -7.89 54.42 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 113.44 0.904 . . . . 57.07 113.44 -178.233 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 47.5 mtp -79.76 -20.53 46.1 Favored 'General case' 0 CA--C 1.512 -0.5 0 O-C-N 121.378 -0.826 . . . . 17.37 109.611 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -89.07 153.76 20.73 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.434 0.902 . . . . 14.69 113.434 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.08 156.99 38.96 Favored 'General case' 0 C--O 1.27 2.167 0 N-CA-C 103.668 -2.716 . . . . 11.8 103.668 176.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.98 -30.64 64.29 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 113.789 1.033 . . . . 21.95 113.789 -177.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASP . . . . . 0.476 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 31.4 p-10 -116.67 24.48 11.25 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 124.722 1.264 . . . . 28.36 112.823 -179.394 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.34 157.58 13.43 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 120.837 -1.164 . . . . 14.92 110.36 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.01 142.52 51.1 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 108.156 -1.053 . . . . 25.02 108.156 175.62 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' HB ' HG12 ' A' ' 47' ' ' ILE . 50.3 t -122.61 140.1 47.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 N-CA-C 107.265 -1.383 . . . . 16.07 107.265 -178.037 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -128.1 102.55 6.77 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 103.674 -2.713 . . . . 25.2 103.674 176.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -148.12 108.95 3.69 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 115.108 -0.951 . . . . 30.71 109.764 -175.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.04 156.24 99.88 Favored 'Cis proline' 0 CA--C 1.534 0.486 0 N-CA-C 110.342 -0.676 . . . . 26.2 110.342 -0.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -62.02 145.37 53.31 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 106.391 -1.707 . . . . 37.05 106.391 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.6 -18.92 37.23 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 106.037 -2.825 . . . . 38.44 106.037 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . 0.577 ' HG3' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -96.62 147.29 32.71 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 124.969 1.308 . . . . 57.25 109.736 178.806 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PRO . . . . . 0.577 ' HD2' ' HG3' ' A' ' 44' ' ' GLN . 29.8 Cg_endo -59.05 142.61 99.55 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 CA-C-O 121.219 0.425 . . . . 36.71 112.033 179.567 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -71.94 156.67 56.06 Favored 'Trans proline' 0 C--O 1.247 0.933 0 N-CA-C 118.46 2.446 . . . . 32.37 118.46 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . 0.476 HG12 ' HB ' ' A' ' 38' ' ' VAL . 1.7 pt -111.21 136.53 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.256 0 N-CA-C 100.956 -3.72 . . . . 34.21 100.956 175.962 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HIS . . . . . 0.476 ' CE1' ' O ' ' A' ' 35' ' ' ASP . 38.1 t60 -117.18 142.07 47.49 Favored 'General case' 0 C--O 1.212 -0.912 0 N-CA-C 114.088 1.144 . . . . 46.84 114.088 -177.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.49 151.22 2.99 Favored Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 117.695 1.838 . . . . 13.75 117.695 176.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -52.94 -39.85 63.18 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 116.286 1.958 . . . . 16.2 116.286 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -56.12 -54.58 43.34 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 118.847 -1.141 . . . . 32.3 109.382 178.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -64.63 -30.38 71.4 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 114.416 1.265 . . . . 38.1 114.416 -179.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.5 mt -74.66 -39.36 46.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 O-C-N 121.716 -0.615 . . . . 14.67 109.526 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.29 97.69 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 106.783 -1.562 . . . . 16.41 106.783 -179.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.69 -42.62 97.98 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 120.39 -0.524 . . . . 20.45 111.94 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -57.66 -46.72 83.87 Favored 'General case' 0 C--O 1.25 1.11 0 C-N-CA 123.768 0.827 . . . . 21.95 111.0 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PHE . . . . . 0.426 ' O ' HD13 ' A' ' 61' ' ' LEU . 34.1 m-85 -69.84 -36.62 75.72 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.763 1.394 . . . . 23.48 114.763 179.639 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' HA ' HD13 ' A' ' 25' ' ' ILE . 4.6 ttm-85 -65.05 -37.91 89.09 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-O 121.599 0.714 . . . . 50.93 109.471 178.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.5 -42.73 92.84 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 126.526 1.93 . . . . 60.92 112.204 178.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.2 -13.44 52.24 Favored Glycine 0 CA--C 1.542 1.724 1 N-CA-C 126.659 5.423 . . . . 40.98 126.659 -179.267 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . 0.457 HD23 ' HA2' ' A' ' 23' ' ' GLY 0.282 9.5 mp -91.66 130.71 37.42 Favored 'General case' 0 CA--C 1.569 1.704 1 N-CA-C 128.296 6.406 . . . . 54.91 128.296 -174.879 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 173.73 15.19 0.0 OUTLIER 'General case' 1 N--CA 1.554 4.758 1 C-N-CA 135.577 5.551 . . . . 79.03 108.307 178.104 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . 0.598 HG11 HG13 ' A' ' 88' ' ' VAL . 1.8 t -82.97 178.04 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 N-CA-C 116.448 2.018 . . . . 51.98 116.448 -176.76 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ARG . . . . . 0.532 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 4.2 ttt85 -126.88 129.41 48.16 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 102.003 -3.332 . . . . 61.34 102.003 175.211 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.19 134.34 36.18 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 120.909 -1.119 . . . . 20.93 109.697 -177.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 543' ' ' HOH . 3.9 p -140.84 149.27 41.79 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.207 -0.997 . . . . 37.8 111.631 178.964 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.3 mt -73.52 131.15 41.43 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 106.67 -1.604 . . . . 22.78 106.67 176.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.7 p -105.64 9.78 33.13 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 119.506 1.048 . . . . 18.68 112.716 -179.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.8 169.73 42.24 Favored Glycine 0 N--CA 1.426 -1.996 0 N-CA-C 105.817 -2.913 . . . . 11.84 105.817 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.08 156.85 64.29 Favored 'Trans proline' 0 C--N 1.322 -0.85 0 N-CA-C 117.008 1.888 . . . . 13.6 117.008 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 66.5 t -79.28 127.47 39.07 Favored 'Isoleucine or valine' 0 C--O 1.25 1.129 0 N-CA-C 106.094 -1.817 . . . . 15.75 106.094 178.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -93.59 126.63 38.86 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 105.037 -2.209 . . . . 16.75 105.037 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -133.26 144.44 49.75 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.601 -1.24 . . . . 18.99 113.777 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.1 p -104.67 -174.45 2.54 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 108.781 -0.822 . . . . 27.82 108.781 177.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -94.66 -2.74 50.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.411 -0.813 . . . . 28.44 112.585 -176.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . 0.258 27.8 p-10 -105.88 28.0 7.99 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 118.075 2.621 . . . . 34.59 118.075 179.599 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.0 13.3 79.62 Favored Glycine 0 C--O 1.214 -1.099 0 N-CA-C 115.389 0.916 . . . . 20.07 115.389 177.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 52.0 m -108.23 154.55 21.6 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 117.289 0.544 . . . . 29.91 111.965 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.6 157.92 27.89 Favored Glycine 0 C--O 1.216 -1.012 0 N-CA-C 109.169 -1.572 . . . . 12.05 109.169 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -146.2 141.95 27.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 103.943 -2.614 . . . . 9.32 103.943 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 8.5 ptt? -148.79 145.2 19.32 Favored Pre-proline 0 C--O 1.203 -1.392 0 N-CA-C 112.895 0.702 . . . . 16.3 112.895 -178.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -97.31 140.98 0.6 Allowed 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 116.608 -1.795 . . . . 10.23 110.377 179.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PHE . . . . . 0.443 ' HB2' ' O ' ' A' ' 69' ' ' CYS . 37.7 p90 -154.24 165.66 35.58 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.091 -1.044 . . . . 9.93 112.647 177.545 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -123.66 142.78 50.74 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 122.553 1.168 . . . . 44.96 110.645 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' VAL . . . . . 0.598 HG13 HG11 ' A' ' 66' ' ' VAL . 65.0 t -120.5 130.41 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 N-CA-C 106.18 -1.785 . . . . 23.75 106.18 179.263 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -113.46 126.26 55.14 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.334 0.588 . . . . 47.02 109.692 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -137.46 -173.49 3.49 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 108.037 -1.097 . . . . 45.92 108.037 179.625 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' VAL . . . . . 0.605 ' HA ' ' HA ' ' A' ' 96' ' ' PRO . 93.1 t -139.4 99.75 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.482 0 N-CA-C 103.882 -2.636 . . . . 68.59 103.882 177.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' GLN . 11.5 t90 -91.17 116.33 28.73 Favored 'General case' 0 C--O 1.25 1.127 0 CA-C-N 114.912 -1.04 . . . . 95.92 112.982 -179.354 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 48.33 51.03 15.72 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 114.966 -1.016 . . . . 93.48 111.624 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.57 -24.2 10.82 Favored Glycine 0 C--O 1.238 0.354 0 N-CA-C 115.437 0.935 . . . . 84.18 115.437 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLN . . . . . 0.451 ' HG3' ' HD2' ' A' ' 96' ' ' PRO . 1.1 tt0 -99.35 133.12 22.23 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 117.476 0.638 . . . . 86.15 111.304 179.927 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' PRO . . . . . 0.605 ' HA ' ' HA ' ' A' ' 91' ' ' VAL . 24.1 Cg_endo -79.7 129.29 8.16 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.472 2.781 . . . . 63.21 113.028 -179.821 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' CYS . . . . . 1.132 ' SG ' HG23 ' A' ' 127' ' ' VAL . 3.5 m -124.35 175.95 6.77 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-O 121.698 0.761 . . . . 54.04 110.462 179.043 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.14 143.3 30.28 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 104.947 -2.242 . . . . 30.79 104.947 179.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 45.8 tp -138.25 125.87 22.16 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.983 -1.008 . . . . 19.97 108.32 -178.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -97.14 128.29 43.91 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 105.451 -2.055 . . . . 14.79 105.451 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.4 t -136.4 154.34 32.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 O-C-N 120.743 -1.223 . . . . 10.45 110.248 -175.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.9 mt -125.43 123.67 65.38 Favored 'Isoleucine or valine' 0 C--O 1.25 1.097 0 N-CA-C 105.42 -2.067 . . . . 9.87 105.42 173.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -103.17 139.89 38.07 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 108.637 -0.875 . . . . 14.61 108.637 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.8 t -121.31 126.98 75.65 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.952 0 N-CA-C 104.719 -2.326 . . . . 11.38 104.719 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 55.6 mtt -129.03 149.38 50.88 Favored 'General case' 0 CA--C 1.479 -1.757 0 O-C-N 121.092 -1.005 . . . . 18.85 113.14 -177.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ARG . . . . . 0.679 ' HB3' HG22 ' A' ' 115' ' ' THR . 11.3 ttt180 -120.38 129.66 54.04 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 105.471 -2.048 . . . . 62.27 105.471 174.893 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -99.08 153.55 18.8 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.765 0.826 . . . . 19.93 111.32 179.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 110' ' ' HIS . 40.0 p30 -98.05 177.52 5.39 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-O 122.208 1.004 . . . . 23.86 111.676 177.34 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLU . . . . . 0.528 ' CD ' ' H ' ' A' ' 109' ' ' GLU . 1.5 pm0 -59.64 5.49 0.03 OUTLIER 'General case' 0 CA--C 1.479 -1.777 0 CA-C-N 113.6 -1.636 . . . . 55.95 112.249 -178.107 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HIS . . . . . 0.493 ' H ' ' C ' ' A' ' 108' ' ' ASP . 39.9 m80 -124.43 0.48 8.28 Favored 'General case' 0 CA--C 1.488 -1.422 0 C-N-CA 123.677 0.791 . . . . 53.93 112.555 179.645 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.92 18.7 66.99 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 118.234 -1.936 . . . . 24.74 113.38 -178.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.1 mtm-85 -108.86 153.1 23.99 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 107.462 -1.311 . . . . 62.93 107.462 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 68.0 mt -72.53 119.55 19.45 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.381 0 N-CA-C 108.924 -0.769 . . . . 16.2 108.924 -179.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLN . . . . . 0.76 ' HG3' ' O ' ' A' ' 534' ' ' HOH . 44.7 tt0 -94.4 -38.27 11.04 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.643 0.735 . . . . 45.07 109.296 -178.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' THR . . . . . 0.679 HG22 ' HB3' ' A' ' 106' ' ' ARG . 10.7 t -145.98 142.79 29.0 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 119.689 -0.804 . . . . 30.39 109.678 -179.47 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -138.42 139.05 38.75 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 121.313 -0.867 . . . . 35.02 110.232 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -134.51 132.44 39.19 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.26 -0.645 . . . . 39.45 109.26 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -114.79 129.34 56.68 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-O 121.419 0.628 . . . . 14.64 110.678 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -105.67 119.88 40.25 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 116.012 -0.54 . . . . 16.74 110.232 -178.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -179.24 163.86 1.32 Allowed 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 106.08 -1.822 . . . . 19.7 106.08 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.2 p -159.04 -171.96 3.59 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 103.396 -2.816 . . . . 16.13 103.396 175.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -59.03 -23.32 61.86 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 115.519 1.674 . . . . 34.59 115.519 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.15 -14.82 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 O-C-N 121.933 -0.479 . . . . 17.43 110.744 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -102.99 9.38 38.69 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 113.844 1.053 . . . . 17.95 113.844 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' LEU . . . . . 0.63 ' CD2' ' HB ' ' A' ' 127' ' ' VAL . 4.9 tt -101.06 134.6 43.82 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 124.053 0.941 . . . . 35.84 110.595 -179.292 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.7 m -120.33 91.13 3.47 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 104.916 -2.253 . . . . 41.03 104.916 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' VAL . . . . . 1.132 HG23 ' SG ' ' A' ' 97' ' ' CYS . 3.3 p . . . . . 0 C--O 1.261 1.685 0 CA-C-O 116.943 -1.503 . . . . 51.12 112.458 179.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 534' ' ' HOH . . . . . 0.76 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 543' ' ' HOH . . . . . 0.461 ' O ' ' SG ' ' A' ' 69' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.519 2.991 0 N-CA-C 112.024 0.379 . . . . 56.82 112.024 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.7 tp -55.4 115.82 10.21 Favored Pre-proline 0 C--O 1.245 0.824 0 N-CA-C 105.389 -2.078 . . . . 47.22 105.389 178.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -60.31 147.98 91.81 Favored 'Trans proline' 0 CA--C 1.547 1.163 1 C-N-CA 112.977 -4.215 . . . . 31.36 112.97 -179.338 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 65.8 p -79.07 173.22 12.8 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 106.815 -1.55 . . . . 25.45 106.815 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.9 -43.02 63.17 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.827 0.346 . . . . 19.76 111.773 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -69.68 -32.16 70.63 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.776 1.028 . . . . 58.38 113.776 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -73.11 -38.43 66.35 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 108.492 -0.929 . . . . 39.34 108.492 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.8 t -59.77 -42.12 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-O 118.228 -0.892 . . . . 18.56 110.789 177.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.21 -38.9 90.94 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.63 1.105 . . . . 20.79 111.882 177.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.65 -41.09 76.33 Favored Glycine 0 C--O 1.216 -0.971 0 C-N-CA 120.351 -0.928 . . . . 15.43 114.678 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.8 mt -65.91 -41.52 91.35 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-O 121.831 0.824 . . . . 20.14 111.483 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.0 mtp -70.01 -33.45 72.02 Favored 'General case' 0 C--O 1.193 -1.873 0 CA-C-N 114.548 -1.205 . . . . 17.23 112.556 -178.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.55 -31.74 67.35 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.871 0.843 . . . . 13.92 110.657 175.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -66.75 -43.93 82.81 Favored 'General case' 0 CA--C 1.495 -1.136 0 N-CA-C 107.366 -1.346 . . . . 26.71 107.366 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -51.63 -48.42 63.32 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 114.285 -1.325 . . . . 13.68 113.165 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.6 mm -64.85 -32.75 59.45 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.431 0 CA-C-O 121.339 0.59 . . . . 13.24 111.276 177.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -50.59 72.79 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.313 -1.366 . . . . 53.0 107.313 177.391 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 19' ' ' LEU . 74.9 mt -64.41 -40.97 96.79 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 115.063 -0.971 . . . . 18.94 112.615 -179.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.9 t -65.18 -39.05 84.23 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.264 0 C-N-CA 119.905 -0.718 . . . . 17.97 109.299 178.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.25 -46.22 91.26 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.11 1.152 . . . . 26.74 114.11 -179.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.8 m -73.77 -33.86 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 O-C-N 123.867 0.729 . . . . 21.22 110.816 178.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' HA2' HD23 ' A' ' 61' ' ' LEU . . . 91.01 29.14 13.24 Favored Glycine 0 N--CA 1.437 -1.237 0 C-N-CA 119.148 -1.501 . . . . 14.79 112.869 178.804 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -84.91 87.46 7.35 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 106.93 -1.508 . . . . 17.92 106.93 177.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 29' ' ' VAL 0.252 89.1 mt -57.33 -37.94 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 118.488 2.773 . . . . 24.74 118.488 -179.123 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -69.42 -40.92 76.98 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-N 118.261 0.482 . . . . 36.42 110.872 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.05 77.49 Favored 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 109.853 -0.425 . . . . 13.84 109.853 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.6 mt -66.31 -51.18 61.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 120.276 -1.515 . . . . 13.46 110.066 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 25' ' ' ILE . 67.9 t -52.39 -37.2 22.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 113.956 1.095 . . . . 15.15 113.956 -179.175 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 6.1 tp60 -74.39 -7.89 54.42 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 113.44 0.904 . . . . 57.07 113.44 -178.233 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 47.5 mtp -79.76 -20.53 46.1 Favored 'General case' 0 CA--C 1.512 -0.5 0 O-C-N 121.378 -0.826 . . . . 17.37 109.611 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -89.07 153.76 20.73 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.434 0.902 . . . . 14.69 113.434 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.08 156.99 38.96 Favored 'General case' 0 C--O 1.27 2.167 0 N-CA-C 103.668 -2.716 . . . . 11.8 103.668 176.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.98 -30.64 64.29 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 113.789 1.033 . . . . 21.95 113.789 -177.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.476 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 31.4 p-10 -116.67 24.48 11.25 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 124.722 1.264 . . . . 28.36 112.823 -179.394 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.34 157.58 13.43 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 120.837 -1.164 . . . . 14.92 110.36 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.01 142.52 51.1 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 108.156 -1.053 . . . . 25.02 108.156 175.62 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' HB ' HG12 ' A' ' 47' ' ' ILE . 50.3 t -122.61 140.1 47.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 N-CA-C 107.265 -1.383 . . . . 16.07 107.265 -178.037 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -128.1 102.55 6.77 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 103.674 -2.713 . . . . 25.2 103.674 176.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -148.12 108.95 3.69 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 115.108 -0.951 . . . . 30.71 109.764 -175.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.04 156.24 99.88 Favored 'Cis proline' 0 CA--C 1.534 0.486 0 N-CA-C 110.342 -0.676 . . . . 26.2 110.342 -0.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -62.02 145.37 53.31 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 106.391 -1.707 . . . . 37.05 106.391 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.6 -18.92 37.23 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 106.037 -2.825 . . . . 38.44 106.037 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.577 ' HG3' ' HD2' ' A' ' 45' ' ' PRO . 2.3 tp60 -96.62 147.29 32.71 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 124.969 1.308 . . . . 57.25 109.736 178.806 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.577 ' HD2' ' HG3' ' A' ' 44' ' ' GLN . 29.8 Cg_endo -59.05 142.61 99.55 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 CA-C-O 121.219 0.425 . . . . 36.71 112.033 179.567 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -71.94 156.67 56.06 Favored 'Trans proline' 0 C--O 1.247 0.933 0 N-CA-C 118.46 2.446 . . . . 32.37 118.46 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.476 HG12 ' HB ' ' A' ' 38' ' ' VAL . 1.7 pt -111.21 136.53 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.256 0 N-CA-C 100.956 -3.72 . . . . 34.21 100.956 175.962 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.476 ' CE1' ' O ' ' A' ' 35' ' ' ASP . 38.1 t60 -117.18 142.07 47.49 Favored 'General case' 0 C--O 1.212 -0.912 0 N-CA-C 114.088 1.144 . . . . 46.84 114.088 -177.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.49 151.22 2.99 Favored Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 117.695 1.838 . . . . 13.75 117.695 176.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -52.94 -39.85 63.18 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 116.286 1.958 . . . . 16.2 116.286 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -56.12 -54.58 43.34 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 118.847 -1.141 . . . . 32.3 109.382 178.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -64.63 -30.38 71.4 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 114.416 1.265 . . . . 38.1 114.416 -179.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.5 mt -74.66 -39.36 46.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 O-C-N 121.716 -0.615 . . . . 14.67 109.526 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.29 97.69 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 106.783 -1.562 . . . . 16.41 106.783 -179.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.69 -42.62 97.98 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 120.39 -0.524 . . . . 20.45 111.94 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -57.66 -46.72 83.87 Favored 'General case' 0 C--O 1.25 1.11 0 C-N-CA 123.768 0.827 . . . . 21.95 111.0 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.426 ' O ' HD13 ' A' ' 61' ' ' LEU . 34.1 m-85 -69.84 -36.62 75.72 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.763 1.394 . . . . 23.48 114.763 179.639 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' HA ' HD13 ' A' ' 25' ' ' ILE . 4.6 ttm-85 -65.05 -37.91 89.09 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-O 121.599 0.714 . . . . 50.93 109.471 178.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.5 -42.73 92.84 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 126.526 1.93 . . . . 60.92 112.204 178.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.2 -13.44 52.24 Favored Glycine 0 CA--C 1.542 1.724 1 N-CA-C 126.659 5.423 . . . . 40.98 126.659 -179.267 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.457 HD23 ' HA2' ' A' ' 23' ' ' GLY 0.282 9.5 mp -91.66 130.71 37.42 Favored 'General case' 0 CA--C 1.569 1.704 1 N-CA-C 128.296 6.406 . . . . 54.91 128.296 -174.879 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 173.73 15.19 0.0 OUTLIER 'General case' 1 N--CA 1.554 4.758 1 C-N-CA 135.577 5.551 . . . . 79.03 108.307 178.104 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.598 HG11 HG13 ' A' ' 88' ' ' VAL . 1.8 t -82.97 178.04 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 N-CA-C 116.448 2.018 . . . . 51.98 116.448 -176.76 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.532 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 4.2 ttt85 -126.88 129.41 48.16 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 102.003 -3.332 . . . . 61.34 102.003 175.211 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.19 134.34 36.18 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 120.909 -1.119 . . . . 20.93 109.697 -177.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 543' ' ' HOH . 3.9 p -140.84 149.27 41.79 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.207 -0.997 . . . . 37.8 111.631 178.964 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.3 mt -73.52 131.15 41.43 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 106.67 -1.604 . . . . 22.78 106.67 176.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.7 p -105.64 9.78 33.13 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 119.506 1.048 . . . . 18.68 112.716 -179.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.8 169.73 42.24 Favored Glycine 0 N--CA 1.426 -1.996 0 N-CA-C 105.817 -2.913 . . . . 11.84 105.817 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.08 156.85 64.29 Favored 'Trans proline' 0 C--N 1.322 -0.85 0 N-CA-C 117.008 1.888 . . . . 13.6 117.008 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 66.5 t -79.28 127.47 39.07 Favored 'Isoleucine or valine' 0 C--O 1.25 1.129 0 N-CA-C 106.094 -1.817 . . . . 15.75 106.094 178.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -93.59 126.63 38.86 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 105.037 -2.209 . . . . 16.75 105.037 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -133.26 144.44 49.75 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.601 -1.24 . . . . 18.99 113.777 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.1 p -104.67 -174.45 2.54 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 108.781 -0.822 . . . . 27.82 108.781 177.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -94.66 -2.74 50.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.411 -0.813 . . . . 28.44 112.585 -176.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.413 ' H ' HD22 ' A' ' 79' ' ' ASN 0.258 0.1 OUTLIER -105.88 28.0 7.99 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 118.075 2.621 . . . . 34.59 118.075 179.599 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.0 13.3 79.62 Favored Glycine 0 C--O 1.214 -1.099 0 N-CA-C 115.389 0.916 . . . . 20.07 115.389 177.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 52.0 m -108.23 154.55 21.6 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 117.289 0.544 . . . . 29.91 111.965 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.6 157.92 27.89 Favored Glycine 0 C--O 1.216 -1.012 0 N-CA-C 109.169 -1.572 . . . . 12.05 109.169 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -146.2 141.95 27.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 103.943 -2.614 . . . . 9.32 103.943 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 8.5 ptt? -148.79 145.2 19.32 Favored Pre-proline 0 C--O 1.203 -1.392 0 N-CA-C 112.895 0.702 . . . . 16.3 112.895 -178.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -97.31 140.98 0.6 Allowed 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 116.608 -1.795 . . . . 10.23 110.377 179.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.443 ' HB2' ' O ' ' A' ' 69' ' ' CYS . 37.7 p90 -154.24 165.66 35.58 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.091 -1.044 . . . . 9.93 112.647 177.545 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -123.66 142.78 50.74 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 122.553 1.168 . . . . 44.96 110.645 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.598 HG13 HG11 ' A' ' 66' ' ' VAL . 65.0 t -120.5 130.41 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 N-CA-C 106.18 -1.785 . . . . 23.75 106.18 179.263 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -113.46 126.26 55.14 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.334 0.588 . . . . 47.02 109.692 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -137.46 -173.49 3.49 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 108.037 -1.097 . . . . 45.92 108.037 179.625 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.605 ' HA ' ' HA ' ' A' ' 96' ' ' PRO . 93.1 t -139.4 99.75 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.482 0 N-CA-C 103.882 -2.636 . . . . 68.59 103.882 177.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' GLN . 11.5 t90 -91.17 116.33 28.73 Favored 'General case' 0 C--O 1.25 1.127 0 CA-C-N 114.912 -1.04 . . . . 95.92 112.982 -179.354 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.8 m120 48.33 51.03 15.72 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 114.966 -1.016 . . . . 93.48 111.624 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.57 -24.2 10.82 Favored Glycine 0 C--O 1.238 0.354 0 N-CA-C 115.437 0.935 . . . . 84.18 115.437 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.451 ' HG3' ' HD2' ' A' ' 96' ' ' PRO . 1.1 tt0 -99.35 133.12 22.23 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 117.476 0.638 . . . . 86.15 111.304 179.927 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.605 ' HA ' ' HA ' ' A' ' 91' ' ' VAL . 24.1 Cg_endo -79.7 129.29 8.16 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.472 2.781 . . . . 63.21 113.028 -179.821 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' CYS . . . . . 1.132 ' SG ' HG23 ' A' ' 127' ' ' VAL . 3.5 m -124.35 175.95 6.77 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-O 121.698 0.761 . . . . 54.04 110.462 179.043 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.14 143.3 30.28 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 104.947 -2.242 . . . . 30.79 104.947 179.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 45.8 tp -138.25 125.87 22.16 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.983 -1.008 . . . . 19.97 108.32 -178.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -97.14 128.29 43.91 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 105.451 -2.055 . . . . 14.79 105.451 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.4 t -136.4 154.34 32.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 O-C-N 120.743 -1.223 . . . . 10.45 110.248 -175.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.9 mt -125.43 123.67 65.38 Favored 'Isoleucine or valine' 0 C--O 1.25 1.097 0 N-CA-C 105.42 -2.067 . . . . 9.87 105.42 173.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -103.17 139.89 38.07 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 108.637 -0.875 . . . . 14.61 108.637 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.8 t -121.31 126.98 75.65 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.952 0 N-CA-C 104.719 -2.326 . . . . 11.38 104.719 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 55.6 mtt -129.03 149.38 50.88 Favored 'General case' 0 CA--C 1.479 -1.757 0 O-C-N 121.092 -1.005 . . . . 18.85 113.14 -177.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.679 ' HB3' HG22 ' A' ' 115' ' ' THR . 11.3 ttt180 -120.38 129.66 54.04 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 105.471 -2.048 . . . . 62.27 105.471 174.893 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -99.08 153.55 18.8 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.765 0.826 . . . . 19.93 111.32 179.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 110' ' ' HIS . 40.0 p30 -98.05 177.52 5.39 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-O 122.208 1.004 . . . . 23.86 111.676 177.34 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.528 ' CD ' ' H ' ' A' ' 109' ' ' GLU . 1.5 pm0 -59.64 5.49 0.03 OUTLIER 'General case' 0 CA--C 1.479 -1.777 0 CA-C-N 113.6 -1.636 . . . . 55.95 112.249 -178.107 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.493 ' H ' ' C ' ' A' ' 108' ' ' ASP . 39.9 m80 -124.43 0.48 8.28 Favored 'General case' 0 CA--C 1.488 -1.422 0 C-N-CA 123.677 0.791 . . . . 53.93 112.555 179.645 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.92 18.7 66.99 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 118.234 -1.936 . . . . 24.74 113.38 -178.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.1 mtm-85 -108.86 153.1 23.99 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 107.462 -1.311 . . . . 62.93 107.462 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 68.0 mt -72.53 119.55 19.45 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.381 0 N-CA-C 108.924 -0.769 . . . . 16.2 108.924 -179.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.76 ' HG3' ' O ' ' A' ' 534' ' ' HOH . 44.7 tt0 -94.4 -38.27 11.04 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.643 0.735 . . . . 45.07 109.296 -178.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' THR . . . . . 0.679 HG22 ' HB3' ' A' ' 106' ' ' ARG . 10.7 t -145.98 142.79 29.0 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 119.689 -0.804 . . . . 30.39 109.678 -179.47 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -138.42 139.05 38.75 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 121.313 -0.867 . . . . 35.02 110.232 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -134.51 132.44 39.19 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 109.26 -0.645 . . . . 39.45 109.26 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -114.79 129.34 56.68 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-O 121.419 0.628 . . . . 14.64 110.678 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -105.67 119.88 40.25 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 116.012 -0.54 . . . . 16.74 110.232 -178.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -179.24 163.86 1.32 Allowed 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 106.08 -1.822 . . . . 19.7 106.08 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.2 p -159.04 -171.96 3.59 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 103.396 -2.816 . . . . 16.13 103.396 175.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -59.03 -23.32 61.86 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 115.519 1.674 . . . . 34.59 115.519 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.15 -14.82 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 O-C-N 121.933 -0.479 . . . . 17.43 110.744 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -102.99 9.38 38.69 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 113.844 1.053 . . . . 17.95 113.844 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.63 ' CD2' ' HB ' ' A' ' 127' ' ' VAL . 4.9 tt -101.06 134.6 43.82 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 124.053 0.941 . . . . 35.84 110.595 -179.292 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.7 m -120.33 91.13 3.47 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 104.916 -2.253 . . . . 41.03 104.916 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' VAL . . . . . 1.132 HG23 ' SG ' ' A' ' 97' ' ' CYS . 3.3 p . . . . . 0 C--O 1.261 1.685 0 CA-C-O 116.943 -1.503 . . . . 51.12 112.458 179.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 534' ' ' HOH . . . . . 0.76 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 543' ' ' HOH . . . . . 0.461 ' O ' ' SG ' ' A' ' 69' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_