data_1wcj_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 1wcj _Structure_validation_residue.Date_analyzed 2016-10-07 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 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.385 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.5 p -156.79 168.43 27.47 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.603 0.638 . . . . 0.0 111.458 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -133.5 62.01 1.66 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.574 1.149 . . . . 0.0 109.728 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.84 91.64 2.38 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 172.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.2 t -75.64 155.32 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 125.149 1.38 . . . . 0.0 108.398 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.1 p -143.65 167.95 21.05 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 122.263 1.03 . . . . 0.0 109.702 -168.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -56.49 -35.82 68.41 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.209 1.003 . . . . 0.0 110.167 173.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -49.91 75.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.129 0.972 . . . . 0.0 110.12 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -72.48 -34.57 67.79 Favored 'General case' 0 C--O 1.23 0.056 0 C-N-CA 123.75 0.82 . . . . 0.0 109.97 -171.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 73.3 t -67.23 -41.49 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 125.576 1.551 . . . . 0.0 111.025 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.5 mt -63.85 -51.36 65.0 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -59.56 -29.2 67.77 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.51 -48.83 30.15 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 119.271 0.941 . . . . 0.0 109.204 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' C ' ' H ' ' A' ' 17' ' ' ASN . 42.5 mt -63.91 -27.42 69.14 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 118.541 -0.742 . . . . 0.0 111.929 -176.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -58.1 10.98 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.921 2.089 . . . . 0.0 114.874 173.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' A' ' 15' ' ' LEU . 65.7 m-80 -107.72 -50.59 3.04 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 125.888 1.675 . . . . 0.0 109.699 174.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.2 t -61.28 156.82 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 126.392 1.877 . . . . 0.0 109.188 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 mm -129.22 141.02 47.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.98 103.19 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 105.796 -1.927 . . . . 0.0 105.796 163.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -47.18 -45.24 22.78 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.535 0.734 . . . . 0.0 111.699 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -62.47 -18.6 62.19 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.356 1.862 . . . . 0.0 113.456 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.48 -46.56 2.77 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.624 1.17 . . . . 0.0 110.615 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.63 13.16 38.78 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 118.987 -0.896 . . . . 0.0 112.756 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.1 170.28 14.23 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 119.069 1.435 . . . . 0.0 110.021 176.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.84 153.1 25.33 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -53.48 -44.34 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 125.244 1.418 . . . . 0.0 112.157 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.62 -39.9 82.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 120.12 1.327 . . . . 0.0 108.159 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -41.6 90.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.864 0.866 . . . . 0.0 111.612 173.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -21.03 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.359 -0.838 . . . . 0.0 112.654 176.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.59 62.8 4.98 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 118.813 -0.993 . . . . 0.0 111.642 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -106.58 -31.93 8.27 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.554 1.177 . . . . 0.0 111.708 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 m -64.51 102.81 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 174.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -67.06 -54.77 18.39 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.991 1.717 . . . . 0.0 108.208 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -143.04 147.47 35.13 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.372 1.069 . . . . 0.0 109.592 -169.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mt -143.89 106.37 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -112.68 138.86 48.86 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 128.53 2.732 . . . . 0.0 107.458 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 mm -136.2 100.3 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -57.89 166.33 1.5 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 122.041 0.924 . . . . 0.0 109.696 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -81.24 -10.65 59.56 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.006 0.922 . . . . 0.0 110.927 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.64 19.89 2.72 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.549 1.14 . . . . 0.0 111.047 160.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 51.86 33.26 11.12 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 128.917 2.887 . . . . 0.0 111.719 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.3 94.82 2.06 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 170.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.2 t -74.38 116.51 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -136.62 112.01 9.21 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.692 0.758 . . . . 0.0 110.634 -165.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.2 t -126.34 127.3 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.807 -164.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.32 103.47 9.27 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 105.497 -2.038 . . . . 0.0 105.497 159.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.474 ' HG2' ' H ' ' A' ' 49' ' ' THR . 7.0 ttp -118.51 177.28 4.88 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 165.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.474 ' H ' ' HG2' ' A' ' 48' ' ' MET . 13.9 t -157.7 -167.29 2.22 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 170.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.5 mmt -116.21 165.21 13.43 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.403 1.481 . . . . 0.0 108.004 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -53.33 -46.56 69.52 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 168.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.6 p -152.87 152.1 27.71 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-O 118.517 -0.754 . . . . 0.0 109.215 -169.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.08 -6.15 18.52 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.403 2.069 . . . . 0.0 113.882 173.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -80.31 2.37 24.98 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.544 1.065 . . . . 0.0 113.551 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 67.4 m -56.64 140.63 74.44 Favored Pre-proline 0 CA--C 1.538 0.502 0 CA-C-N 119.354 0.979 . . . . 0.0 111.598 -173.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -75.74 -53.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.442 2.095 . . . . 0.0 111.501 -146.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.44 55.4 1.02 Allowed 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 127.219 2.208 . . . . 0.0 106.904 173.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.11 -51.78 9.91 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.331 1.453 . . . . 0.0 110.653 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.17 -24.27 60.77 Favored Glycine 0 CA--C 1.523 0.559 0 CA-C-O 118.817 -0.991 . . . . 0.0 113.055 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -43.93 14.15 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 119.021 1.411 . . . . 0.0 110.323 175.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -57.43 -51.28 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.512 0.725 . . . . 0.0 109.086 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.35 -32.04 73.49 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.105 1.362 . . . . 0.0 111.158 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -69.58 -40.66 76.59 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.409 -0.807 . . . . 0.0 109.144 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.06 -27.83 61.96 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.089 -1.007 . . . . 0.0 111.626 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.08 87.52 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.163 -0.961 . . . . 0.0 109.696 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.22 -41.43 75.65 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.678 0.791 . . . . 0.0 110.611 172.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -56.25 -39.22 72.23 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.396 1.478 . . . . 0.0 112.553 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.94 -54.16 10.87 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 176.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.2 mt -55.36 -45.85 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.772 0.829 . . . . 0.0 110.819 -174.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -69.12 -14.86 63.24 Favored 'General case' 0 CA--C 1.53 0.212 0 O-C-N 121.373 -0.83 . . . . 0.0 112.908 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -78.44 -12.15 59.99 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 120.434 1.47 . . . . 0.0 111.074 -172.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.4 mt -82.89 60.99 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 124.25 1.02 . . . . 0.0 109.196 -165.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 24.08 43.27 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 131.701 4.0 . . . . 0.0 117.952 153.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.13 -36.09 0.23 Allowed Glycine 0 C--O 1.225 -0.438 0 O-C-N 120.94 -1.1 . . . . 0.0 111.768 -163.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.288 7.3 p -45.67 64.3 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.333 1 C-N-CA 133.142 4.577 . . . . 0.0 116.174 170.467 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -36.19 -54.74 0.8 Allowed 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 128.552 2.741 . . . . 0.0 112.808 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -146.5 169.24 19.33 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 126.915 2.086 . . . . 0.0 111.599 176.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.4 t -135.43 86.95 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.613 1.565 . . . . 0.0 107.889 -156.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -98.63 64.94 1.55 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.95 1.7 . . . . 0.0 108.258 -172.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.6 t -79.68 102.0 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -79.55 139.97 37.36 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.7 tp -125.76 77.87 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -174.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 86.9 m -79.87 101.05 8.32 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.25 1.02 . . . . 0.0 108.559 -168.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.75 23.52 11.2 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.323 -0.861 . . . . 0.0 112.717 -159.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.22 -55.95 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 117.443 -1.265 . . . . 0.0 112.083 -175.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -67.99 155.26 70.34 Favored 'Trans proline' 0 N--CA 1.449 -1.134 0 CA-C-N 120.5 1.214 . . . . 0.0 111.829 -171.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.74 134.68 18.6 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 123.096 2.531 . . . . 0.0 108.287 166.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.54 ' CH2' ' HA ' ' A' ' 90' ' ' PRO . 3.7 t90 -70.21 -93.85 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.592 1.157 . . . . 0.0 110.367 -176.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.1 m 158.64 114.39 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.723 1 C-N-CA 132.329 4.252 . . . . 0.0 106.3 164.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.54 ' HA ' ' CH2' ' A' ' 88' ' ' TRP . 56.3 Cg_endo -60.93 -23.16 76.57 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 CA-C-N 122.357 1.877 . . . . 0.0 114.639 -178.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.8 -11.14 60.08 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.109 1.364 . . . . 0.0 112.604 178.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -23.88 67.24 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.218 -1.551 . . . . 0.0 111.055 -177.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 68.3 mtm -61.57 170.8 1.74 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.142 1.377 . . . . 0.0 111.746 172.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 m -57.65 153.66 29.35 Favored Pre-proline 0 CA--C 1.531 0.218 0 C-N-CA 124.513 1.125 . . . . 0.0 110.657 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -62.13 -34.48 79.23 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.207 1.938 . . . . 0.0 111.81 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -68.75 -38.72 80.32 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.727 0.811 . . . . 0.0 109.19 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.84 -32.48 73.04 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 121.125 -0.985 . . . . 0.0 113.023 176.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -60.5 -55.44 33.46 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.6 -41.49 85.93 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 123.726 0.641 . . . . 0.0 110.761 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -57.73 -65.64 0.6 Allowed 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.467 0.576 . . . . 0.0 110.796 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -64.09 -46.25 85.07 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 118.524 -0.751 . . . . 0.0 110.731 -171.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.37 41.05 0.3 Allowed Glycine 0 CA--C 1.527 0.795 0 C-N-CA 124.603 1.097 . . . . 0.0 112.628 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.188 1.795 . . . . 0.0 107.384 -179.162 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.385 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.5 p -156.79 168.43 27.47 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.603 0.638 . . . . 0.0 111.458 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -133.5 62.01 1.66 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.574 1.149 . . . . 0.0 109.728 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.84 91.64 2.38 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 172.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.2 t -75.64 155.32 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 125.149 1.38 . . . . 0.0 108.398 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.1 p -143.65 167.95 21.05 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 122.263 1.03 . . . . 0.0 109.702 -168.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -56.49 -35.82 68.41 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.209 1.003 . . . . 0.0 110.167 173.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -49.91 75.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.129 0.972 . . . . 0.0 110.12 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -72.48 -34.57 67.79 Favored 'General case' 0 C--O 1.23 0.056 0 C-N-CA 123.75 0.82 . . . . 0.0 109.97 -171.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 73.3 t -67.23 -41.49 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 125.576 1.551 . . . . 0.0 111.025 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.5 mt -63.85 -51.36 65.0 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -59.56 -29.2 67.77 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.51 -48.83 30.15 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 119.271 0.941 . . . . 0.0 109.204 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.5 mt -63.91 -27.42 69.14 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 118.541 -0.742 . . . . 0.0 111.929 -176.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -58.1 10.98 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.921 2.089 . . . . 0.0 114.874 173.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -107.72 -50.59 3.04 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 125.888 1.675 . . . . 0.0 109.699 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.2 t -61.28 156.82 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 126.392 1.877 . . . . 0.0 109.188 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 mm -129.22 141.02 47.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.98 103.19 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 105.796 -1.927 . . . . 0.0 105.796 163.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -47.18 -45.24 22.78 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.535 0.734 . . . . 0.0 111.699 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -62.47 -18.6 62.19 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.356 1.862 . . . . 0.0 113.456 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' HG ' HD21 ' A' ' 30' ' ' LEU . 4.1 mm? -116.48 -46.56 2.77 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.624 1.17 . . . . 0.0 110.615 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.63 13.16 38.78 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 118.987 -0.896 . . . . 0.0 112.756 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.1 170.28 14.23 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 119.069 1.435 . . . . 0.0 110.021 176.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.84 153.1 25.33 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -53.48 -44.34 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 125.244 1.418 . . . . 0.0 112.157 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.62 -39.9 82.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 120.12 1.327 . . . . 0.0 108.159 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -41.6 90.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.864 0.866 . . . . 0.0 111.612 173.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.4 HD21 ' HG ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -67.13 -21.03 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.359 -0.838 . . . . 0.0 112.654 176.417 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.59 62.8 4.98 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 118.813 -0.993 . . . . 0.0 111.642 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -106.58 -31.93 8.27 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.554 1.177 . . . . 0.0 111.708 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 m -64.51 102.81 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 174.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -67.06 -54.77 18.39 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.991 1.717 . . . . 0.0 108.208 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -143.04 147.47 35.13 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.372 1.069 . . . . 0.0 109.592 -169.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.482 ' CG2' HD11 ' A' ' 38' ' ' ILE . 36.9 mt -143.89 106.37 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -176.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -112.68 138.86 48.86 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 128.53 2.732 . . . . 0.0 107.458 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.482 HD11 ' CG2' ' A' ' 36' ' ' ILE . 3.1 mm -136.2 100.3 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -177.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -57.89 166.33 1.5 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 122.041 0.924 . . . . 0.0 109.696 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -81.24 -10.65 59.56 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.006 0.922 . . . . 0.0 110.927 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -86.64 19.89 2.72 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.549 1.14 . . . . 0.0 111.047 160.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 51.86 33.26 11.12 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 128.917 2.887 . . . . 0.0 111.719 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.3 94.82 2.06 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 170.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.2 t -74.38 116.51 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -136.62 112.01 9.21 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.692 0.758 . . . . 0.0 110.634 -165.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.2 t -126.34 127.3 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.807 -164.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.32 103.47 9.27 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 105.497 -2.038 . . . . 0.0 105.497 159.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.403 ' HG2' ' H ' ' A' ' 49' ' ' THR . 7.0 ttp -118.51 177.28 4.88 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 165.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.403 ' H ' ' HG2' ' A' ' 48' ' ' MET . 13.9 t -157.7 -167.29 2.22 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 170.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.5 mmt -116.21 165.21 13.43 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.403 1.481 . . . . 0.0 108.004 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -53.33 -46.56 69.52 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 168.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.6 p -152.87 152.1 27.71 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-O 118.517 -0.754 . . . . 0.0 109.215 -169.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.08 -6.15 18.52 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.403 2.069 . . . . 0.0 113.882 173.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -80.31 2.37 24.98 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.544 1.065 . . . . 0.0 113.551 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 67.4 m -56.64 140.63 74.44 Favored Pre-proline 0 CA--C 1.538 0.502 0 CA-C-N 119.354 0.979 . . . . 0.0 111.598 -173.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -75.74 -53.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.442 2.095 . . . . 0.0 111.501 -146.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.44 55.4 1.02 Allowed 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 127.219 2.208 . . . . 0.0 106.904 173.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.11 -51.78 9.91 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.331 1.453 . . . . 0.0 110.653 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.17 -24.27 60.77 Favored Glycine 0 CA--C 1.523 0.559 0 CA-C-O 118.817 -0.991 . . . . 0.0 113.055 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -43.93 14.15 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 119.021 1.411 . . . . 0.0 110.323 175.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -57.43 -51.28 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.512 0.725 . . . . 0.0 109.086 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.35 -32.04 73.49 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.105 1.362 . . . . 0.0 111.158 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -69.58 -40.66 76.59 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.409 -0.807 . . . . 0.0 109.144 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.06 -27.83 61.96 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.089 -1.007 . . . . 0.0 111.626 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.08 87.52 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.163 -0.961 . . . . 0.0 109.696 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.22 -41.43 75.65 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.678 0.791 . . . . 0.0 110.611 172.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -56.25 -39.22 72.23 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.396 1.478 . . . . 0.0 112.553 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.94 -54.16 10.87 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 176.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.2 mt -55.36 -45.85 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.772 0.829 . . . . 0.0 110.819 -174.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -69.12 -14.86 63.24 Favored 'General case' 0 CA--C 1.53 0.212 0 O-C-N 121.373 -0.83 . . . . 0.0 112.908 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -78.44 -12.15 59.99 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 120.434 1.47 . . . . 0.0 111.074 -172.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.4 mt -82.89 60.99 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 124.25 1.02 . . . . 0.0 109.196 -165.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 24.08 43.27 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 131.701 4.0 . . . . 0.0 117.952 153.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.13 -36.09 0.23 Allowed Glycine 0 C--O 1.225 -0.438 0 O-C-N 120.94 -1.1 . . . . 0.0 111.768 -163.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.288 7.3 p -45.67 64.3 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.333 1 C-N-CA 133.142 4.577 . . . . 0.0 116.174 170.467 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -36.19 -54.74 0.8 Allowed 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 128.552 2.741 . . . . 0.0 112.808 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -146.5 169.24 19.33 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 126.915 2.086 . . . . 0.0 111.599 176.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.4 t -135.43 86.95 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.613 1.565 . . . . 0.0 107.889 -156.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -98.63 64.94 1.55 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.95 1.7 . . . . 0.0 108.258 -172.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.6 t -79.68 102.0 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -79.55 139.97 37.36 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.7 tp -125.76 77.87 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -174.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 86.9 m -79.87 101.05 8.32 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.25 1.02 . . . . 0.0 108.559 -168.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.75 23.52 11.2 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.323 -0.861 . . . . 0.0 112.717 -159.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.22 -55.95 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 117.443 -1.265 . . . . 0.0 112.083 -175.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -67.99 155.26 70.34 Favored 'Trans proline' 0 N--CA 1.449 -1.134 0 CA-C-N 120.5 1.214 . . . . 0.0 111.829 -171.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.74 134.68 18.6 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 123.096 2.531 . . . . 0.0 108.287 166.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.567 ' CH2' ' HA ' ' A' ' 90' ' ' PRO . 3.7 t90 -70.21 -93.85 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.592 1.157 . . . . 0.0 110.367 -176.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.1 m 158.64 114.39 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.723 1 C-N-CA 132.329 4.252 . . . . 0.0 106.3 164.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.567 ' HA ' ' CH2' ' A' ' 88' ' ' TRP . 56.3 Cg_endo -60.93 -23.16 76.57 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 CA-C-N 122.357 1.877 . . . . 0.0 114.639 -178.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.8 -11.14 60.08 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.109 1.364 . . . . 0.0 112.604 178.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -23.88 67.24 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.218 -1.551 . . . . 0.0 111.055 -177.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 68.3 mtm -61.57 170.8 1.74 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.142 1.377 . . . . 0.0 111.746 172.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 m -57.65 153.66 29.35 Favored Pre-proline 0 CA--C 1.531 0.218 0 C-N-CA 124.513 1.125 . . . . 0.0 110.657 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -62.13 -34.48 79.23 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.207 1.938 . . . . 0.0 111.81 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -68.75 -38.72 80.32 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.727 0.811 . . . . 0.0 109.19 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.84 -32.48 73.04 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 121.125 -0.985 . . . . 0.0 113.023 176.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -60.5 -55.44 33.46 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.6 -41.49 85.93 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 123.726 0.641 . . . . 0.0 110.761 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -57.73 -65.64 0.6 Allowed 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.467 0.576 . . . . 0.0 110.796 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -64.09 -46.25 85.07 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 118.524 -0.751 . . . . 0.0 110.731 -171.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.37 41.05 0.3 Allowed Glycine 0 CA--C 1.527 0.795 0 C-N-CA 124.603 1.097 . . . . 0.0 112.628 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.188 1.795 . . . . 0.0 107.384 -179.162 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.385 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.5 p -156.79 168.43 27.47 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.603 0.638 . . . . 0.0 111.458 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -133.5 62.01 1.66 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.574 1.149 . . . . 0.0 109.728 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.84 91.64 2.38 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 172.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.2 t -75.64 155.32 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 125.149 1.38 . . . . 0.0 108.398 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.1 p -143.65 167.95 21.05 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 122.263 1.03 . . . . 0.0 109.702 -168.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -56.49 -35.82 68.41 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.209 1.003 . . . . 0.0 110.167 173.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -49.91 75.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.129 0.972 . . . . 0.0 110.12 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -72.48 -34.57 67.79 Favored 'General case' 0 C--O 1.23 0.056 0 C-N-CA 123.75 0.82 . . . . 0.0 109.97 -171.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 73.3 t -67.23 -41.49 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 C-N-CA 125.576 1.551 . . . . 0.0 111.025 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.5 mt -63.85 -51.36 65.0 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -59.56 -29.2 67.77 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.51 -48.83 30.15 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 119.271 0.941 . . . . 0.0 109.204 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.5 mt -63.91 -27.42 69.14 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 118.541 -0.742 . . . . 0.0 111.929 -176.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -58.1 10.98 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.921 2.089 . . . . 0.0 114.874 173.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -107.72 -50.59 3.04 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 125.888 1.675 . . . . 0.0 109.699 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.2 t -61.28 156.82 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 126.392 1.877 . . . . 0.0 109.188 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 mm -129.22 141.02 47.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.98 103.19 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 105.796 -1.927 . . . . 0.0 105.796 163.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -47.18 -45.24 22.78 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.535 0.734 . . . . 0.0 111.699 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -62.47 -18.6 62.19 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 126.356 1.862 . . . . 0.0 113.456 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' HG ' HD21 ' A' ' 30' ' ' LEU . 4.1 mm? -116.48 -46.56 2.77 Favored 'General case' 0 CA--C 1.521 -0.144 0 C-N-CA 124.624 1.17 . . . . 0.0 110.615 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.63 13.16 38.78 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 118.987 -0.896 . . . . 0.0 112.756 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.1 170.28 14.23 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 119.069 1.435 . . . . 0.0 110.021 176.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.84 153.1 25.33 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -53.48 -44.34 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 125.244 1.418 . . . . 0.0 112.157 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.62 -39.9 82.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 120.12 1.327 . . . . 0.0 108.159 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -41.6 90.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.864 0.866 . . . . 0.0 111.612 173.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.4 HD21 ' HG ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -67.13 -21.03 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.359 -0.838 . . . . 0.0 112.654 176.417 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.59 62.8 4.98 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 118.813 -0.993 . . . . 0.0 111.642 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -106.58 -31.93 8.27 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.554 1.177 . . . . 0.0 111.708 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 m -64.51 102.81 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 174.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -67.06 -54.77 18.39 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.991 1.717 . . . . 0.0 108.208 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -143.04 147.47 35.13 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.372 1.069 . . . . 0.0 109.592 -169.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.482 ' CG2' HD11 ' A' ' 38' ' ' ILE . 36.9 mt -143.89 106.37 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -176.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -112.68 138.86 48.86 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 128.53 2.732 . . . . 0.0 107.458 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.482 HD11 ' CG2' ' A' ' 36' ' ' ILE . 3.1 mm -136.2 100.3 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -177.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -57.89 166.33 1.5 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 122.041 0.924 . . . . 0.0 109.696 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -81.24 -10.65 59.56 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.006 0.922 . . . . 0.0 110.927 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.64 19.89 2.72 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.549 1.14 . . . . 0.0 111.047 160.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 51.86 33.26 11.12 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 128.917 2.887 . . . . 0.0 111.719 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.3 94.82 2.06 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 170.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.2 t -74.38 116.51 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -136.62 112.01 9.21 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.692 0.758 . . . . 0.0 110.634 -165.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.2 t -126.34 127.3 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.807 -164.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.32 103.47 9.27 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 105.497 -2.038 . . . . 0.0 105.497 159.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.403 ' HG2' ' H ' ' A' ' 49' ' ' THR . 7.0 ttp -118.51 177.28 4.88 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 165.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.403 ' H ' ' HG2' ' A' ' 48' ' ' MET . 13.9 t -157.7 -167.29 2.22 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 170.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 8.5 mmt -116.21 165.21 13.43 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.403 1.481 . . . . 0.0 108.004 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -53.33 -46.56 69.52 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 168.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.6 p -152.87 152.1 27.71 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-O 118.517 -0.754 . . . . 0.0 109.215 -169.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.08 -6.15 18.52 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.403 2.069 . . . . 0.0 113.882 173.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -80.31 2.37 24.98 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.544 1.065 . . . . 0.0 113.551 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 67.4 m -56.64 140.63 74.44 Favored Pre-proline 0 CA--C 1.538 0.502 0 CA-C-N 119.354 0.979 . . . . 0.0 111.598 -173.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -75.74 -53.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.442 2.095 . . . . 0.0 111.501 -146.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.44 55.4 1.02 Allowed 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 127.219 2.208 . . . . 0.0 106.904 173.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.11 -51.78 9.91 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.331 1.453 . . . . 0.0 110.653 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.17 -24.27 60.77 Favored Glycine 0 CA--C 1.523 0.559 0 CA-C-O 118.817 -0.991 . . . . 0.0 113.055 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -43.93 14.15 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 119.021 1.411 . . . . 0.0 110.323 175.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -57.43 -51.28 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.512 0.725 . . . . 0.0 109.086 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.35 -32.04 73.49 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.105 1.362 . . . . 0.0 111.158 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -69.58 -40.66 76.59 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.409 -0.807 . . . . 0.0 109.144 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.06 -27.83 61.96 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.089 -1.007 . . . . 0.0 111.626 179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.08 87.52 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.163 -0.961 . . . . 0.0 109.696 169.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.22 -41.43 75.65 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.678 0.791 . . . . 0.0 110.611 172.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -56.25 -39.22 72.23 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.396 1.478 . . . . 0.0 112.553 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.94 -54.16 10.87 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 176.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.2 mt -55.36 -45.85 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.772 0.829 . . . . 0.0 110.819 -174.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -69.12 -14.86 63.24 Favored 'General case' 0 CA--C 1.53 0.212 0 O-C-N 121.373 -0.83 . . . . 0.0 112.908 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -78.44 -12.15 59.99 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 120.434 1.47 . . . . 0.0 111.074 -172.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.4 mt -82.89 60.99 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 124.25 1.02 . . . . 0.0 109.196 -165.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 24.08 43.27 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 131.701 4.0 . . . . 0.0 117.952 153.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.13 -36.09 0.23 Allowed Glycine 0 C--O 1.225 -0.438 0 O-C-N 120.94 -1.1 . . . . 0.0 111.768 -163.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.288 7.3 p -45.67 64.3 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.333 1 C-N-CA 133.142 4.577 . . . . 0.0 116.174 170.467 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -36.19 -54.74 0.8 Allowed 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 128.552 2.741 . . . . 0.0 112.808 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -146.5 169.24 19.33 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 126.915 2.086 . . . . 0.0 111.599 176.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.4 t -135.43 86.95 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.613 1.565 . . . . 0.0 107.889 -156.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -98.63 64.94 1.55 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.95 1.7 . . . . 0.0 108.258 -172.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 42.6 t -79.68 102.0 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -79.55 139.97 37.36 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.7 tp -125.76 77.87 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -174.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 86.9 m -79.87 101.05 8.32 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.25 1.02 . . . . 0.0 108.559 -168.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.75 23.52 11.2 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.323 -0.861 . . . . 0.0 112.717 -159.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.22 -55.95 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 117.443 -1.265 . . . . 0.0 112.083 -175.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -67.99 155.26 70.34 Favored 'Trans proline' 0 N--CA 1.449 -1.134 0 CA-C-N 120.5 1.214 . . . . 0.0 111.829 -171.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.74 134.68 18.6 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 123.096 2.531 . . . . 0.0 108.287 166.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.567 ' CH2' ' HA ' ' A' ' 90' ' ' PRO . 3.7 t90 -70.21 -93.85 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.592 1.157 . . . . 0.0 110.367 -176.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.1 m 158.64 114.39 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.723 1 C-N-CA 132.329 4.252 . . . . 0.0 106.3 164.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.567 ' HA ' ' CH2' ' A' ' 88' ' ' TRP . 56.3 Cg_endo -60.93 -23.16 76.57 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 CA-C-N 122.357 1.877 . . . . 0.0 114.639 -178.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.8 -11.14 60.08 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.109 1.364 . . . . 0.0 112.604 178.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -23.88 67.24 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 120.218 -1.551 . . . . 0.0 111.055 -177.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 68.3 mtm -61.57 170.8 1.74 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.142 1.377 . . . . 0.0 111.746 172.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 m -57.65 153.66 29.35 Favored Pre-proline 0 CA--C 1.531 0.218 0 C-N-CA 124.513 1.125 . . . . 0.0 110.657 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -62.13 -34.48 79.23 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.207 1.938 . . . . 0.0 111.81 176.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -68.75 -38.72 80.32 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.727 0.811 . . . . 0.0 109.19 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.2 mt -67.84 -32.48 73.04 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 121.125 -0.985 . . . . 0.0 113.023 176.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -60.5 -55.44 33.46 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.6 -41.49 85.93 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 123.726 0.641 . . . . 0.0 110.761 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -57.73 -65.64 0.6 Allowed 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.467 0.576 . . . . 0.0 110.796 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -64.09 -46.25 85.07 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 118.524 -0.751 . . . . 0.0 110.731 -171.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.37 41.05 0.3 Allowed Glycine 0 CA--C 1.527 0.795 0 C-N-CA 124.603 1.097 . . . . 0.0 112.628 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.188 1.795 . . . . 0.0 107.384 -179.162 . . . . . . . . 0 0 . 1 stop_ save_