data_1hfg_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 1hfg _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.451 -0.574 . . . . 15.59 109.451 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.58 84.3 0.57 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.662 -0.975 . . . . 12.6 110.662 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.7 40.42 10.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.181 0.515 . . . . 10.779999999999999 110.264 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.65 -25.45 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.71 -0.677 . . . . 9.1699999999999999 110.671 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.626 ' NE1' ' CD2' ' A' ' 6' ' ' HIS . 9.0 p-90 -55.97 -26.97 50.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 9.7599999999999998 110.292 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.626 ' CD2' ' NE1' ' A' ' 5' ' ' TRP . 13.8 m-70 -59.8 -15.55 21.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.74 -0.664 . . . . 7.5099999999999998 110.413 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.27 104.12 35.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.815 -0.63 . . . . 9.5600000000000005 110.374 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 10' ' ' LYS . 39.7 Cg_endo -81.1 85.04 1.86 Allowed 'Trans proline' 0 C--N 1.332 -0.303 0 C-N-CA 122.407 2.071 . . . . 5.3300000000000001 112.521 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.5 61.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.818 -0.628 . . . . 6.0899999999999999 110.433 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 8' ' ' PRO . 14.8 mttt -79.06 -9.66 59.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.812 -0.631 . . . . 6.4500000000000002 110.526 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' CYS . 3.1 m -75.21 57.8 0.89 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.032 -0.531 . . . . 3.7799999999999998 110.141 179.809 -36.193 -133.488 -23.607 104.349 2.02 104.278 -134.848 -37.812 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 1.6 m -38.06 120.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.608 -0.724 . . . . 3.4100000000000001 110.9 -179.753 -91.369 149.053 36.002 104.058 2.021 104.443 -177.415 -61.679 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.525 ' O ' ' CE ' ' A' ' 37' ' ' LYS . 9.0 mt -63.19 -37.01 85.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.347 0.594 . . . . 5.2300000000000004 109.408 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.461 ' O ' ' HB3' ' A' ' 12' ' ' CYS . . . -116.86 160.84 13.27 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.865 -1.294 . . . . 3.3100000000000001 109.865 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.547 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 91.6 m-85 -118.19 166.48 12.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.28 0.562 . . . . 2.96 111.002 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 52.6 tp60 -36.6 -53.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.392 -0.822 . . . . 3.5499999999999998 110.72 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 5.8 tttt 87.42 -16.58 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.574 -0.739 . . . . 4.7699999999999996 110.348 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.466 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -127.8 147.59 63.48 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.846 -0.616 . . . . 5.9699999999999998 110.068 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.594 ' HA ' ' CD2' ' A' ' 58' ' ' TRP . 39.0 Cg_endo -82.2 116.25 2.7 Favored 'Trans proline' 0 C--N 1.329 -0.459 0 C-N-CA 122.532 2.155 . . . . 3.2200000000000002 112.871 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.514 ' CD2' ' HG2' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -91.99 154.79 43.49 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.674 -0.694 . . . . 2.6899999999999999 110.27 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.526 ' O ' ' CD1' ' A' ' 24' ' ' LEU . 40.1 Cg_endo -82.28 133.92 7.69 Favored 'Trans proline' 0 C--N 1.33 -0.399 0 C-N-CA 122.636 2.224 . . . . 2.7599999999999998 112.629 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.469 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 16.4 tm0? -74.89 -1.47 22.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.86 -0.609 . . . . 2.5600000000000001 110.542 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.523 ' CG1' ' HB2' ' A' ' 21' ' ' PRO . 6.2 p -61.61 -25.18 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.968 -0.56 . . . . 3.02 110.857 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.528 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -123.87 0.91 8.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 2.8999999999999999 110.985 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 24' ' ' LEU . 5.6 tp -81.11 160.53 24.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.054 0.454 . . . . 1.8 110.317 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.48 -71.79 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 2.5699999999999998 110.456 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.474 ' HB2' HG21 ' A' ' 69' ' ' THR . 0.1 OUTLIER -147.62 -158.91 0.96 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.828 -0.624 . . . . 2.7200000000000002 110.309 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.622 ' CZ3' ' CE ' ' A' ' 63' ' ' MET . 54.5 p-90 -158.38 139.98 13.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.815 -0.63 . . . . 2.3399999999999999 110.418 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 41' ' ' ILE . 18.2 p90 -120.39 139.42 28.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.925 -0.579 . . . . 3.2999999999999998 110.314 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 29' ' ' TYR . 40.0 Cg_endo -81.34 147.69 16.18 Favored 'Trans proline' 0 N--CA 1.474 0.336 0 C-N-CA 122.539 2.16 . . . . 2.79 112.907 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.524 ' OG1' ' N ' ' A' ' 32' ' ' SER . 0.9 OUTLIER -88.85 -177.53 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.609 -0.723 . . . . 3.6000000000000001 110.243 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.524 ' N ' ' OG1' ' A' ' 31' ' ' THR . 0.4 OUTLIER -70.58 168.7 15.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.905 -0.589 . . . . 4.2699999999999996 110.453 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -100.8 -10.64 20.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.858 -0.61 . . . . 4.1699999999999999 110.548 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.07 46.61 1.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 5.0300000000000002 110.518 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.4 m -125.57 158.56 34.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.905 -0.589 . . . . 3.77 110.362 179.912 -37.812 -134.848 -23.607 104.278 2.02 104.349 -133.488 -36.193 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.92 -25.29 67.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.815 -0.629 . . . . 4.0300000000000002 110.373 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.525 ' CE ' ' O ' ' A' ' 13' ' ' LEU . 1.3 ptmt -170.05 71.99 0.63 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.824 -0.626 . . . . 4.2699999999999996 110.364 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.515 ' CB ' HG22 ' A' ' 31' ' ' THR . 40.3 Cg_endo -81.7 140.73 11.84 Favored 'Trans proline' 0 C--N 1.33 -0.412 0 C-N-CA 122.696 2.264 . . . . 2.77 112.734 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' HA2' ' OD1' ' A' ' 53' ' ' ASP . . . -126.54 -119.24 2.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.636 -0.986 . . . . 2.0499999999999998 110.636 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.4 t -154.85 136.25 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.138 0.494 . . . . 1.73 110.542 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 29' ' ' TYR . 3.4 mp -99.35 143.77 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 2.75 110.201 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.576 ' CD2' ' HB3' ' A' ' 28' ' ' TRP . 30.8 m-85 -108.32 125.37 51.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.768 -0.651 . . . . 1.98 110.289 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.527 ' CD1' HG23 ' A' ' 69' ' ' THR . 0.8 OUTLIER -99.59 96.29 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 3.3799999999999999 110.324 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.521 ' HB ' ' CD2' ' A' ' 24' ' ' LEU . 58.2 p -52.16 161.1 0.66 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.888 -0.596 . . . . 2.5600000000000001 110.269 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -54.68 -54.7 38.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.794 -0.639 . . . . 3.0800000000000001 110.503 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 46' ' ' ARG . 72.9 ttt180 -133.03 0.66 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.862 -0.608 . . . . 5.4299999999999997 111.124 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.52 ' CA ' ' OG1' ' A' ' 44' ' ' THR . . . -77.98 -110.48 0.18 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.935 -0.866 . . . . 3.48 110.935 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.508 ' N ' ' OG1' ' A' ' 44' ' ' THR . 4.5 mtp180 -151.29 -171.55 3.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.121 0.486 . . . . 6.4100000000000001 110.588 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 42' ' ' PHE . 1.7 mt-30 -87.43 149.43 24.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.754 -0.657 . . . . 4.0099999999999998 110.184 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.409 ' CG1' ' OE1' ' A' ' 16' ' ' GLN . 53.0 t -140.66 115.66 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.089 -0.505 . . . . 2.5600000000000001 110.673 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.454 ' SG ' HG13 ' A' ' 41' ' ' ILE . 73.6 m -74.96 129.09 37.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.773 -0.649 . . . . 2.6000000000000001 110.169 179.712 -61.679 -177.415 36.002 104.443 2.021 104.058 149.053 -91.369 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.4 ' HB3' HG23 ' A' ' 59' ' ' VAL . . . -146.38 162.25 38.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.218 0.532 . . . . 1.53 110.73 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.547 ' CG ' ' CZ ' ' A' ' 15' ' ' TYR . 5.0 m-20 -114.29 117.5 31.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.619 -0.718 . . . . 2.0299999999999998 110.276 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -44.22 -27.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.915 -0.584 . . . . 3.9300000000000002 110.268 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.452 ' O ' ' O ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -55.88 -36.41 67.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.748 -0.66 . . . . 2.8500000000000001 110.395 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 55' ' ' SER . 17.9 mmtt -52.42 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.856 -0.611 . . . . 3.3100000000000001 110.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.05 -53.55 2.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 4.0300000000000002 110.553 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.594 ' CD2' ' HA ' ' A' ' 19' ' ' PRO . 64.6 p-90 -68.49 -27.54 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 2.5899999999999999 110.218 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.568 HG22 ' CE2' ' A' ' 58' ' ' TRP . 90.7 t -72.71 -26.92 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.851 -0.613 . . . . 1.8100000000000001 109.958 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -75.28 -45.8 37.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.67 -0.695 . . . . 4.2000000000000002 110.103 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -57.78 -44.94 86.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.738 -0.664 . . . . 4.5099999999999998 110.259 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 65' ' ' GLN . 8.3 mt -56.42 -46.22 80.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.821 -0.627 . . . . 1.8600000000000001 110.246 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.622 ' CE ' ' CZ3' ' A' ' 28' ' ' TRP . 2.7 mtt -49.86 -40.76 43.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.552 -0.749 . . . . 2.29 110.23 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -82.15 -29.28 31.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.608 -0.724 . . . . 4.4000000000000004 110.28 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -74.95 -33.34 61.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.83 -0.623 . . . . 3.48 110.3 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 63' ' ' MET . 10.4 mt -117.09 158.29 44.62 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.81 -0.632 . . . . 2.4700000000000002 110.102 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.476 ' O ' ' HB ' ' A' ' 68' ' ' VAL . 40.0 Cg_endo -80.01 -91.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.329 -0.466 0 C-N-CA 122.334 2.022 . . . . 3.1899999999999999 112.326 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER 172.18 144.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.992 0.425 . . . . 3.2200000000000002 110.222 179.678 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.527 HG23 ' CD1' ' A' ' 43' ' ' LEU . 3.9 p -70.85 103.64 2.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.56 . . . . 3.96 110.432 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.95 105.01 8.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.813 -0.631 . . . . 5.2400000000000002 110.454 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.012 -0.994 . . . . 9.0800000000000001 110.481 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 1' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.451 -0.574 . . . . 15.36 109.451 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.58 84.3 0.57 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.662 -0.975 . . . . 12.49 110.662 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.413 ' HB1' ' ND1' ' A' ' 6' ' ' HIS . . . 62.7 40.42 10.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.181 0.515 . . . . 10.65 110.264 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.65 -25.45 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.71 -0.677 . . . . 8.94 110.671 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.426 ' NE1' ' ND1' ' A' ' 6' ' ' HIS . 9.0 p-90 -55.97 -26.97 50.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 8.94 110.292 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.472 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 22.1 m80 -59.8 -15.55 21.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.74 -0.664 . . . . 6.93 110.413 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.27 104.12 35.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.815 -0.63 . . . . 8.86 110.374 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 10' ' ' LYS . 39.7 Cg_endo -81.1 85.04 1.86 Allowed 'Trans proline' 0 C--N 1.332 -0.303 0 C-N-CA 122.407 2.071 . . . . 4.63 112.521 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.5 61.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.818 -0.628 . . . . 6.09 110.433 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 8' ' ' PRO . 14.8 mttt -79.06 -9.66 59.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.812 -0.631 . . . . 6.17 110.526 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' CYS . 3.1 m -75.21 57.8 0.89 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.032 -0.531 . . . . 3.66 110.141 179.809 -36.193 -133.488 -23.607 104.349 2.02 104.278 -134.848 -37.812 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 1.6 m -38.06 120.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.608 -0.724 . . . . 3.32 110.9 -179.753 -91.369 149.053 36.002 104.058 2.021 104.443 -177.415 -61.679 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.525 ' O ' ' CE ' ' A' ' 37' ' ' LYS . 9.0 mt -63.19 -37.01 85.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.347 0.594 . . . . 4.9 109.408 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.476 ' O ' ' HB3' ' A' ' 12' ' ' CYS . . . -116.86 160.84 13.27 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.865 -1.294 . . . . 3.16 109.865 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.547 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 91.6 m-85 -118.19 166.48 12.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.28 0.562 . . . . 2.85 111.002 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.015 ' HG2' HD21 ' A' ' 20' ' ' LEU . 52.6 tp60 -36.6 -53.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.392 -0.822 . . . . 3.33 110.72 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 5.8 tttt 87.42 -16.58 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.574 -0.739 . . . . 4.44 110.348 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.8 147.59 63.48 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.846 -0.616 . . . . 5.48 110.068 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.555 ' HA ' ' CD2' ' A' ' 58' ' ' TRP . 39.0 Cg_endo -82.2 116.25 2.7 Favored 'Trans proline' 0 C--N 1.329 -0.459 0 C-N-CA 122.532 2.155 . . . . 3.03 112.871 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.015 HD21 ' HG2' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -91.99 154.79 43.49 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.674 -0.694 . . . . 2.26 110.27 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.976 ' HB2' HG12 ' A' ' 23' ' ' VAL . 40.1 Cg_endo -82.28 133.92 7.69 Favored 'Trans proline' 0 C--N 1.33 -0.399 0 C-N-CA 122.636 2.224 . . . . 2.5 112.629 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.682 ' CG ' HD21 ' A' ' 66' ' ' LEU . 16.4 tm0? -74.89 -1.47 22.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.86 -0.609 . . . . 2.56 110.542 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.976 HG12 ' HB2' ' A' ' 21' ' ' PRO . 6.2 p -61.61 -25.18 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.968 -0.56 . . . . 2.57 110.857 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.88 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -123.87 0.91 8.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 2.54 110.985 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.934 HD23 HD22 ' A' ' 62' ' ' LEU . 5.6 tp -81.11 160.53 24.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.054 0.454 . . . . 1.67 110.317 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.48 -71.79 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 2.32 110.456 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.62 -158.91 0.96 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.828 -0.624 . . . . 2.41 110.309 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.715 ' CZ3' ' HE2' ' A' ' 63' ' ' MET . 54.5 p-90 -158.38 139.98 13.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.815 -0.63 . . . . 2.11 110.418 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.656 ' HD2' HD11 ' A' ' 43' ' ' LEU . 18.2 p90 -120.39 139.42 28.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.925 -0.579 . . . . 3.07 110.314 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 29' ' ' TYR . 40.0 Cg_endo -81.34 147.69 16.18 Favored 'Trans proline' 0 N--CA 1.474 0.336 0 C-N-CA 122.539 2.16 . . . . 2.75 112.907 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 39' ' ' GLY . 0.9 OUTLIER -88.85 -177.53 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.609 -0.723 . . . . 3.27 110.243 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.524 ' N ' ' OG1' ' A' ' 31' ' ' THR . 0.4 OUTLIER -70.58 168.7 15.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.905 -0.589 . . . . 4.1 110.453 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -100.8 -10.64 20.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.858 -0.61 . . . . 3.86 110.548 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.605 ' H ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -88.07 46.61 1.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 4.75 110.518 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.4 m -125.57 158.56 34.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.905 -0.589 . . . . 3.77 110.362 179.912 -37.812 -134.848 -23.607 104.278 2.02 104.349 -133.488 -36.193 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.92 -25.29 67.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.815 -0.629 . . . . 3.86 110.373 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.525 ' CE ' ' O ' ' A' ' 13' ' ' LEU . 1.3 ptmt -170.05 71.99 0.63 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.824 -0.626 . . . . 3.96 110.364 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.572 ' HB2' HG23 ' A' ' 31' ' ' THR . 40.3 Cg_endo -81.7 140.73 11.84 Favored 'Trans proline' 0 C--N 1.33 -0.412 0 C-N-CA 122.696 2.264 . . . . 2.52 112.734 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.682 ' O ' HG22 ' A' ' 31' ' ' THR . . . -126.54 -119.24 2.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.636 -0.986 . . . . 2.05 110.636 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.624 HG11 ' HE3' ' A' ' 28' ' ' TRP . 39.4 t -154.85 136.25 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.138 0.494 . . . . 1.33 110.542 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.586 ' HB ' ' CE2' ' A' ' 29' ' ' TYR . 3.4 mp -99.35 143.77 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 2.44 110.201 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 28' ' ' TRP . 30.8 m-85 -108.32 125.37 51.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.768 -0.651 . . . . 1.96 110.289 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.792 ' CD1' HG21 ' A' ' 69' ' ' THR . 0.8 OUTLIER -99.59 96.29 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 2.93 110.324 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.783 ' HA ' HD12 ' A' ' 25' ' ' LEU . 58.2 p -52.16 161.1 0.66 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.888 -0.596 . . . . 2.45 110.269 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -54.68 -54.7 38.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.794 -0.639 . . . . 2.94 110.503 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 46' ' ' ARG . 72.9 ttt180 -133.03 0.66 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.862 -0.608 . . . . 5.1 111.124 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.52 ' CA ' ' OG1' ' A' ' 44' ' ' THR . . . -77.98 -110.48 0.18 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.935 -0.866 . . . . 3.48 110.935 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.508 ' N ' ' OG1' ' A' ' 44' ' ' THR . 4.5 mtp180 -151.29 -171.55 3.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.121 0.486 . . . . 5.93 110.588 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 42' ' ' PHE . 1.7 mt-30 -87.43 149.43 24.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.754 -0.657 . . . . 3.68 110.184 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.965 HG11 HD11 ' A' ' 20' ' ' LEU . 53.0 t -140.66 115.66 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.089 -0.505 . . . . 2.27 110.673 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.478 ' SG ' HG13 ' A' ' 41' ' ' ILE . 73.6 m -74.96 129.09 37.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.773 -0.649 . . . . 2.6 110.169 179.712 -61.679 -177.415 36.002 104.443 2.021 104.058 149.053 -91.369 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.743 ' HB1' HG21 ' A' ' 59' ' ' VAL . . . -146.38 162.25 38.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.218 0.532 . . . . 1.3 110.73 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.547 ' CG ' ' CZ ' ' A' ' 15' ' ' TYR . 5.0 m-20 -114.29 117.5 31.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.619 -0.718 . . . . 2.03 110.276 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -44.22 -27.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.915 -0.584 . . . . 3.56 110.268 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.452 ' O ' ' O ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -55.88 -36.41 67.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.748 -0.66 . . . . 2.68 110.395 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.457 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . 17.9 mmtt -52.42 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.856 -0.611 . . . . 3.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.05 -53.55 2.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 4.03 110.553 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.601 ' CE2' HG23 ' A' ' 59' ' ' VAL . 64.6 p-90 -68.49 -27.54 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 2.42 110.218 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.743 HG21 ' HB1' ' A' ' 52' ' ' ALA . 90.7 t -72.71 -26.92 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.851 -0.613 . . . . 1.7 109.958 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -75.28 -45.8 37.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.67 -0.695 . . . . 3.84 110.103 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -57.78 -44.94 86.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.738 -0.664 . . . . 4.25 110.259 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.934 HD22 HD23 ' A' ' 25' ' ' LEU . 8.3 mt -56.42 -46.22 80.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.821 -0.627 . . . . 1.86 110.246 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.715 ' HE2' ' CZ3' ' A' ' 28' ' ' TRP . 2.7 mtt -49.86 -40.76 43.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.552 -0.749 . . . . 2.29 110.23 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -82.15 -29.28 31.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.608 -0.724 . . . . 4.1 110.28 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.487 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -74.95 -33.34 61.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.83 -0.623 . . . . 3.14 110.3 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.682 HD21 ' CG ' ' A' ' 22' ' ' GLN . 10.4 mt -117.09 158.29 44.62 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.81 -0.632 . . . . 2.32 110.102 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.482 ' O ' ' HB ' ' A' ' 68' ' ' VAL . 40.0 Cg_endo -80.01 -91.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.329 -0.466 0 C-N-CA 122.334 2.022 . . . . 2.97 112.326 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.482 ' HB ' ' O ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER 172.18 144.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.992 0.425 . . . . 2.94 110.222 179.678 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.792 HG21 ' CD1' ' A' ' 43' ' ' LEU . 3.9 p -70.85 103.64 2.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.56 . . . . 3.7 110.432 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.95 105.01 8.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.813 -0.631 . . . . 5.24 110.454 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.012 -0.994 . . . . 8.58 110.481 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 1' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.451 -0.574 . . . . 15.359999999999999 109.451 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.58 84.3 0.57 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.662 -0.975 . . . . 12.49 110.662 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.698 ' HB1' ' HD2' ' A' ' 6' ' ' HIS . . . 62.7 40.42 10.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.181 0.515 . . . . 10.65 110.264 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.65 -25.45 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.71 -0.677 . . . . 8.9399999999999995 110.671 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.626 ' NE1' ' CD2' ' A' ' 6' ' ' HIS . 9.0 p-90 -55.97 -26.97 50.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 8.9399999999999995 110.292 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.698 ' HD2' ' HB1' ' A' ' 3' ' ' ALA . 13.8 m-70 -59.8 -15.55 21.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.74 -0.664 . . . . 6.9299999999999997 110.413 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.27 104.12 35.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.815 -0.63 . . . . 8.8599999999999994 110.374 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' A' ' 10' ' ' LYS . 39.7 Cg_endo -81.1 85.04 1.86 Allowed 'Trans proline' 0 C--N 1.332 -0.303 0 C-N-CA 122.407 2.071 . . . . 4.6299999999999999 112.521 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.5 61.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.818 -0.628 . . . . 6.0899999999999999 110.433 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 8' ' ' PRO . 14.8 mttt -79.06 -9.66 59.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.812 -0.631 . . . . 6.1699999999999999 110.526 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' CYS . 3.1 m -75.21 57.8 0.89 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.032 -0.531 . . . . 3.6600000000000001 110.141 179.809 -36.193 -133.488 -23.607 104.349 2.02 104.278 -134.848 -37.812 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 1.6 m -38.06 120.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.608 -0.724 . . . . 3.3199999999999998 110.9 -179.753 -91.369 149.053 36.002 104.058 2.021 104.443 -177.415 -61.679 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.525 ' O ' ' CE ' ' A' ' 37' ' ' LYS . 9.0 mt -63.19 -37.01 85.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.347 0.594 . . . . 4.9000000000000004 109.408 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.476 ' O ' ' HB3' ' A' ' 12' ' ' CYS . . . -116.86 160.84 13.27 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.865 -1.294 . . . . 3.1600000000000001 109.865 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.547 ' CZ ' ' CG ' ' A' ' 53' ' ' ASP . 91.6 m-85 -118.19 166.48 12.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.28 0.562 . . . . 2.8500000000000001 111.002 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.015 ' HG2' HD21 ' A' ' 20' ' ' LEU . 52.6 tp60 -36.6 -53.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.392 -0.822 . . . . 3.3300000000000001 110.72 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 5.8 tttt 87.42 -16.58 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.574 -0.739 . . . . 4.4400000000000004 110.348 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.8 147.59 63.48 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.846 -0.616 . . . . 5.4800000000000004 110.068 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.555 ' HA ' ' CD2' ' A' ' 58' ' ' TRP . 39.0 Cg_endo -82.2 116.25 2.7 Favored 'Trans proline' 0 C--N 1.329 -0.459 0 C-N-CA 122.532 2.155 . . . . 3.0299999999999998 112.871 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.015 HD21 ' HG2' ' A' ' 16' ' ' GLN . 0.3 OUTLIER -91.99 154.79 43.49 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.674 -0.694 . . . . 2.2599999999999998 110.27 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.976 ' HB2' HG12 ' A' ' 23' ' ' VAL . 40.1 Cg_endo -82.28 133.92 7.69 Favored 'Trans proline' 0 C--N 1.33 -0.399 0 C-N-CA 122.636 2.224 . . . . 2.5 112.629 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.682 ' CG ' HD21 ' A' ' 66' ' ' LEU . 16.4 tm0? -74.89 -1.47 22.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.86 -0.609 . . . . 2.5600000000000001 110.542 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.976 HG12 ' HB2' ' A' ' 21' ' ' PRO . 6.2 p -61.61 -25.18 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.968 -0.56 . . . . 2.5699999999999998 110.857 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.88 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -123.87 0.91 8.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 2.54 110.985 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.934 HD23 HD22 ' A' ' 62' ' ' LEU . 5.6 tp -81.11 160.53 24.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.054 0.454 . . . . 1.6699999999999999 110.317 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.48 -71.79 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.858 -0.61 . . . . 2.3199999999999998 110.456 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.62 -158.91 0.96 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.828 -0.624 . . . . 2.4100000000000001 110.309 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.715 ' CZ3' ' HE2' ' A' ' 63' ' ' MET . 54.5 p-90 -158.38 139.98 13.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.815 -0.63 . . . . 2.1099999999999999 110.418 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.656 ' HD2' HD11 ' A' ' 43' ' ' LEU . 18.2 p90 -120.39 139.42 28.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.925 -0.579 . . . . 3.0699999999999998 110.314 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 29' ' ' TYR . 40.0 Cg_endo -81.34 147.69 16.18 Favored 'Trans proline' 0 N--CA 1.474 0.336 0 C-N-CA 122.539 2.16 . . . . 2.75 112.907 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 39' ' ' GLY . 0.9 OUTLIER -88.85 -177.53 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.609 -0.723 . . . . 3.27 110.243 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.524 ' N ' ' OG1' ' A' ' 31' ' ' THR . 0.4 OUTLIER -70.58 168.7 15.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.905 -0.589 . . . . 4.0999999999999996 110.453 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -100.8 -10.64 20.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.858 -0.61 . . . . 3.8599999999999999 110.548 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.605 ' H ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -88.07 46.61 1.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 4.75 110.518 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.4 m -125.57 158.56 34.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.905 -0.589 . . . . 3.77 110.362 179.912 -37.812 -134.848 -23.607 104.278 2.02 104.349 -133.488 -36.193 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.92 -25.29 67.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.815 -0.629 . . . . 3.8599999999999999 110.373 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.525 ' CE ' ' O ' ' A' ' 13' ' ' LEU . 1.3 ptmt -170.05 71.99 0.63 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.824 -0.626 . . . . 3.96 110.364 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.572 ' HB2' HG23 ' A' ' 31' ' ' THR . 40.3 Cg_endo -81.7 140.73 11.84 Favored 'Trans proline' 0 C--N 1.33 -0.412 0 C-N-CA 122.696 2.264 . . . . 2.52 112.734 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.682 ' O ' HG22 ' A' ' 31' ' ' THR . . . -126.54 -119.24 2.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.636 -0.986 . . . . 2.0499999999999998 110.636 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.624 HG11 ' HE3' ' A' ' 28' ' ' TRP . 39.4 t -154.85 136.25 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.138 0.494 . . . . 1.3300000000000001 110.542 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.586 ' HB ' ' CE2' ' A' ' 29' ' ' TYR . 3.4 mp -99.35 143.77 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 2.4399999999999999 110.201 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 28' ' ' TRP . 30.8 m-85 -108.32 125.37 51.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.768 -0.651 . . . . 1.96 110.289 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.792 ' CD1' HG21 ' A' ' 69' ' ' THR . 0.8 OUTLIER -99.59 96.29 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 2.9300000000000002 110.324 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.783 ' HA ' HD12 ' A' ' 25' ' ' LEU . 58.2 p -52.16 161.1 0.66 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.888 -0.596 . . . . 2.4500000000000002 110.269 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -54.68 -54.7 38.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.794 -0.639 . . . . 2.9399999999999999 110.503 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 46' ' ' ARG . 72.9 ttt180 -133.03 0.66 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.862 -0.608 . . . . 5.0999999999999996 111.124 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.52 ' CA ' ' OG1' ' A' ' 44' ' ' THR . . . -77.98 -110.48 0.18 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.935 -0.866 . . . . 3.48 110.935 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.508 ' N ' ' OG1' ' A' ' 44' ' ' THR . 4.5 mtp180 -151.29 -171.55 3.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.121 0.486 . . . . 5.9299999999999997 110.588 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 42' ' ' PHE . 1.7 mt-30 -87.43 149.43 24.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.754 -0.657 . . . . 3.6800000000000002 110.184 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.965 HG11 HD11 ' A' ' 20' ' ' LEU . 53.0 t -140.66 115.66 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.089 -0.505 . . . . 2.27 110.673 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.478 ' SG ' HG13 ' A' ' 41' ' ' ILE . 73.6 m -74.96 129.09 37.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.773 -0.649 . . . . 2.6000000000000001 110.169 179.712 -61.679 -177.415 36.002 104.443 2.021 104.058 149.053 -91.369 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.743 ' HB1' HG21 ' A' ' 59' ' ' VAL . . . -146.38 162.25 38.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.218 0.532 . . . . 1.3 110.73 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.547 ' CG ' ' CZ ' ' A' ' 15' ' ' TYR . 5.0 m-20 -114.29 117.5 31.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.619 -0.718 . . . . 2.0299999999999998 110.276 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -44.22 -27.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.915 -0.584 . . . . 3.5600000000000001 110.268 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.452 ' O ' ' O ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -55.88 -36.41 67.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.748 -0.66 . . . . 2.6800000000000002 110.395 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.457 ' HB2' ' HB ' ' A' ' 59' ' ' VAL . 17.9 mmtt -52.42 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.856 -0.611 . . . . 3.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.05 -53.55 2.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 4.0300000000000002 110.553 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.601 ' HE3' HD11 ' A' ' 62' ' ' LEU . 64.6 p-90 -68.49 -27.54 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 2.4199999999999999 110.218 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.743 HG21 ' HB1' ' A' ' 52' ' ' ALA . 90.7 t -72.71 -26.92 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.851 -0.613 . . . . 1.7 109.958 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -75.28 -45.8 37.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.67 -0.695 . . . . 3.8399999999999999 110.103 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -57.78 -44.94 86.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.738 -0.664 . . . . 4.25 110.259 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.934 HD22 HD23 ' A' ' 25' ' ' LEU . 8.3 mt -56.42 -46.22 80.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.821 -0.627 . . . . 1.8600000000000001 110.246 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.715 ' HE2' ' CZ3' ' A' ' 28' ' ' TRP . 2.7 mtt -49.86 -40.76 43.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.552 -0.749 . . . . 2.29 110.23 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -82.15 -29.28 31.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.608 -0.724 . . . . 4.0999999999999996 110.28 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.487 ' HB2' ' HA ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -74.95 -33.34 61.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.83 -0.623 . . . . 3.1400000000000001 110.3 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.682 HD21 ' CG ' ' A' ' 22' ' ' GLN . 10.4 mt -117.09 158.29 44.62 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.81 -0.632 . . . . 2.3199999999999998 110.102 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.482 ' O ' ' HB ' ' A' ' 68' ' ' VAL . 40.0 Cg_endo -80.01 -91.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.329 -0.466 0 C-N-CA 122.334 2.022 . . . . 2.9700000000000002 112.326 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.482 ' HB ' ' O ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER 172.18 144.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.992 0.425 . . . . 2.9399999999999999 110.222 179.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.792 HG21 ' CD1' ' A' ' 43' ' ' LEU . 3.9 p -70.85 103.64 2.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.56 . . . . 3.7000000000000002 110.432 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.95 105.01 8.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.813 -0.631 . . . . 5.2400000000000002 110.454 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.012 -0.994 . . . . 8.5800000000000001 110.481 179.965 . . . . . . . . 0 0 . 1 stop_ save_