data_1e52_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 1e52 _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 core ' A' A ' 19' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' ALA . 43.7 Cg_endo . . . . . 0 N--CA 1.487 1.097 0 CA-C-O 120.988 0.328 . . . . 0.0 111.489 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? 63.79 -70.31 0.07 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.402 -0.812 . . . . 0.0 110.953 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -52.03 -60.34 3.31 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.906 -1.121 . . . . 0.0 109.846 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.476 ' CD1' ' CD1' ' A' ' 26' ' ' ILE . 4.2 tp -56.69 -61.38 2.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.0 109.218 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -49.57 -34.03 16.59 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.389 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -72.39 -36.56 68.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.271 -0.893 . . . . 0.0 110.044 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -45.55 61.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.269 -0.894 . . . . 0.0 110.076 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CD1' ' CD1' ' A' ' 22' ' ' LEU . 71.6 mt -54.63 -55.06 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 110.116 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.56 -22.3 63.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.278 -0.889 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -43.45 21.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.299 -0.875 . . . . 0.0 110.389 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' CB ' ' CD2' ' A' ' 52' ' ' LEU . 14.7 mt -71.19 -43.21 67.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.245 -0.909 . . . . 0.0 110.433 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -43.39 98.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.239 -0.913 . . . . 0.0 110.324 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.89 -22.05 70.0 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.0 tp -73.8 -39.88 63.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -1.187 . . . . 0.0 110.3 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.456 ' HE2' ' CZ ' ' B' ' 42' ' ' PHE . 9.7 mtp -53.06 -51.66 61.05 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -0.951 . . . . 0.0 110.379 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -49.23 -45.22 44.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.266 -0.896 . . . . 0.0 110.654 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.07 -74.83 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.18 -0.95 . . . . 0.0 110.425 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.475 ' CB ' ' CB ' ' A' ' 45' ' ' ALA . 2.3 m170 -54.89 -54.98 35.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.252 -0.905 . . . . 0.0 110.759 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.415 ' HA ' ' HB3' ' A' ' 42' ' ' PHE . . . -46.96 -30.62 2.67 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.295 -0.878 . . . . 0.0 110.126 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.415 ' HA ' ' CE ' ' B' ' 34' ' ' MET . 16.1 mt-30 -80.14 -34.55 37.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.37 -0.831 . . . . 0.0 109.256 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -95.34 24.65 4.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.441 -0.787 . . . . 0.0 109.624 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mp 55.11 30.47 14.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.453 -0.78 . . . . 0.0 110.767 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -110.03 20.63 17.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.158 -0.963 . . . . 0.0 109.834 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.536 ' CE1' ' CB ' ' B' ' 46' ' ' ALA . 5.6 p90 -61.26 -8.82 4.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.567 -0.708 . . . . 0.0 112.029 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -48.93 -68.44 0.18 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.579 -1.326 . . . . 0.0 109.373 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -81.4 -19.21 43.09 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.551 -0.718 . . . . 0.0 109.65 178.28 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.475 ' CB ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.05 -51.47 11.01 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.358 -0.839 . . . . 0.0 111.593 -179.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.528 ' CB ' ' CE1' ' B' ' 42' ' ' PHE . . . -51.39 -23.47 3.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.977 -1.077 . . . . 0.0 110.531 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -54.79 -32.4 60.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.035 -1.04 . . . . 0.0 109.593 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 29' ' ' LEU . 36.4 mt -54.18 -28.4 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.339 -0.851 . . . . 0.0 109.335 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -48.72 -33.98 11.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.465 -0.772 . . . . 0.0 109.733 179.267 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 28.8 t0 -71.87 -37.46 70.19 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.35 -0.844 . . . . 0.0 109.788 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -80.15 -34.93 37.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.847 . . . . 0.0 109.987 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.466 ' CD2' ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -66.75 -36.88 83.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.275 -0.891 . . . . 0.0 110.185 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -77.1 -44.64 29.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.888 . . . . 0.0 110.2 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.15 -44.55 91.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.212 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.8 mt -65.39 -24.19 67.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.178 -0.952 . . . . 0.0 110.166 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -61.31 -62.03 2.12 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.225 -0.922 . . . . 0.0 110.15 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -54.41 -37.91 65.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.0 110.146 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.4 mt -64.7 -19.85 65.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.435 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 44.4 t80 -51.21 -45.0 61.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -76.92 -49.11 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.218 -0.926 . . . . 0.0 110.155 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.79 -24.46 15.4 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.226 -0.921 . . . . 0.0 110.163 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 110.205 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' B' ' 21' ' ' ALA . 43.8 Cg_endo . . . . . 0 N--CA 1.487 1.131 0 CA-C-O 121.013 0.339 . . . . 0.0 111.514 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? 63.73 -70.38 0.07 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.394 -0.816 . . . . 0.0 110.961 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -52.04 -60.26 3.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.908 -1.12 . . . . 0.0 109.934 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.474 ' CD1' ' CD1' ' B' ' 26' ' ' ILE . 4.1 tp -56.74 -61.37 2.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.395 -0.815 . . . . 0.0 109.222 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -49.59 -34.02 16.71 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.396 -0.815 . . . . 0.0 110.382 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -72.4 -36.53 68.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.272 -0.893 . . . . 0.0 110.048 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -45.4 61.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.238 -0.913 . . . . 0.0 110.136 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.474 ' CD1' ' CD1' ' B' ' 22' ' ' LEU . 71.5 mt -54.75 -54.95 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.376 -0.828 . . . . 0.0 110.117 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.64 -22.3 63.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.895 . . . . 0.0 110.275 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -43.67 20.81 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.275 -0.891 . . . . 0.0 110.345 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.471 ' CB ' ' CD2' ' B' ' 52' ' ' LEU . 14.6 mt -71.01 -43.29 68.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.223 -0.923 . . . . 0.0 110.451 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -43.23 99.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 0.0 110.263 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.83 -22.31 70.09 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 tp -73.66 -40.13 63.94 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.227 -1.161 . . . . 0.0 110.307 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' MET . . . . . 0.482 ' HE2' ' CZ ' ' A' ' 42' ' ' PHE . 9.9 mtp -52.77 -51.66 59.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.215 -0.928 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' MET . . . . . 0.415 ' CE ' ' HA ' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -49.22 -45.43 44.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.327 -0.858 . . . . 0.0 110.632 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -75.01 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.269 -0.894 . . . . 0.0 110.468 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.482 ' CB ' ' CB ' ' B' ' 45' ' ' ALA . 2.3 m170 -54.77 -54.85 36.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.746 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' B' ' 42' ' ' PHE . . . -47.08 -30.86 2.99 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.261 -0.9 . . . . 0.0 110.139 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -79.85 -34.61 39.18 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 109.204 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -95.26 24.72 4.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.478 -0.764 . . . . 0.0 109.651 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mp 55.04 30.31 13.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.514 -0.741 . . . . 0.0 110.803 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.89 20.73 17.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.179 -0.951 . . . . 0.0 109.824 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.528 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 5.8 p90 -61.38 -8.6 4.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.541 -0.724 . . . . 0.0 112.022 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -49.02 -68.43 0.18 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.537 -1.352 . . . . 0.0 109.443 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 0.3 OUTLIER -81.53 -19.23 42.57 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.581 -0.699 . . . . 0.0 109.608 178.327 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.482 ' CB ' ' CB ' ' B' ' 36' ' ' HIS . . . -76.89 -51.54 11.06 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.339 -0.851 . . . . 0.0 111.533 -179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.536 ' CB ' ' CE1' ' A' ' 42' ' ' PHE . . . -50.96 -23.9 3.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.089 -1.007 . . . . 0.0 110.579 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -54.71 -32.55 59.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.119 -0.988 . . . . 0.0 109.61 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.419 ' CG2' ' HB3' ' B' ' 29' ' ' LEU . 36.2 mt -54.09 -28.43 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.367 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.428 ' NH1' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -48.68 -34.01 11.09 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.507 -0.746 . . . . 0.0 109.777 179.272 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.428 ' HA ' ' NH1' ' B' ' 49' ' ' ARG . 28.9 t0 -71.85 -37.44 70.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.3 -0.875 . . . . 0.0 109.801 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -80.16 -34.83 37.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.28 -0.888 . . . . 0.0 110.004 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.471 ' CD2' ' CB ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -66.8 -36.9 83.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.181 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -77.11 -44.53 30.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.247 -0.908 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -64.21 -44.48 91.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.248 -0.908 . . . . 0.0 110.272 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 15.7 mt -65.41 -24.21 67.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.192 -0.943 . . . . 0.0 110.206 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -61.25 -62.15 2.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.93 . . . . 0.0 110.196 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -54.33 -37.94 65.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.272 -0.893 . . . . 0.0 110.151 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 43.4 mt -64.64 -19.87 65.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 110.317 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . 0.416 ' HA ' ' CD2' ' B' ' 22' ' ' LEU . 44.3 t80 -51.27 -44.93 61.93 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.139 -0.976 . . . . 0.0 110.421 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.6 mt -76.93 -49.13 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.279 -0.888 . . . . 0.0 110.153 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.81 -24.48 15.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.895 . . . . 0.0 110.124 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.62 -74.64 0.38 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.312 -0.868 . . . . 0.0 110.166 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.2 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HG2' ' HB2' ' A' ' 22' ' ' LEU . 45.5 Cg_endo . . . . . 0 C--O 1.214 -0.721 0 CA-C-O 120.974 0.323 . . . . 0.0 111.659 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.18 -67.55 0.11 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.303 -0.873 . . . . 0.0 111.573 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.89 -45.61 15.34 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.171 -0.955 . . . . 0.0 111.009 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 9.3 mp -80.51 -47.47 14.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.193 -0.942 . . . . 0.0 109.499 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -52.47 -54.93 25.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.697 -0.627 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -62.53 -46.77 86.86 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 0.0 110.198 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -58.21 -51.69 68.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 110.304 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.42 -58.23 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.25 -0.906 . . . . 0.0 110.182 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -60.7 -28.01 68.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.174 -0.954 . . . . 0.0 110.331 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -80.06 -40.61 27.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.231 -0.918 . . . . 0.0 110.418 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.455 ' CB ' ' CD2' ' A' ' 52' ' ' LEU . 40.0 mt -72.93 -36.7 67.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.223 -0.923 . . . . 0.0 110.327 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -46.58 70.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.187 -0.946 . . . . 0.0 110.126 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.43 -34.75 64.05 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.412 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 22.2 tp -67.93 -37.58 81.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.199 -1.177 . . . . 0.0 110.031 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.42 ' HG3' ' HB ' ' A' ' 48' ' ' ILE . 2.5 ttp -67.21 -23.5 65.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.833 . . . . 0.0 110.219 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.09 -58.09 3.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.35 -0.844 . . . . 0.0 110.536 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 32' ' ' LEU . 8.0 pt20 -49.73 -33.64 16.71 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.109 -0.994 . . . . 0.0 110.391 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.481 ' CB ' ' CB ' ' A' ' 45' ' ' ALA . 33.8 m-70 -80.09 -57.1 3.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.266 -0.896 . . . . 0.0 110.1 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.85 -27.34 2.97 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.262 -0.898 . . . . 0.0 110.031 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -78.23 -39.39 40.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 0.0 109.419 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.54 28.96 2.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.41 -0.806 . . . . 0.0 109.567 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp 55.09 27.37 9.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.6 -0.688 . . . . 0.0 110.595 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -101.55 15.04 30.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.227 -0.92 . . . . 0.0 109.982 179.363 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.502 ' CE1' ' HB1' ' B' ' 46' ' ' ALA . 5.1 p90 -58.79 -13.73 6.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 111.258 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -49.32 -62.92 1.28 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.571 -1.331 . . . . 0.0 109.557 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 3.9 pt-20 -82.78 -19.84 37.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.994 -1.066 . . . . 0.0 109.601 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.481 ' CB ' ' CB ' ' A' ' 36' ' ' HIS . . . -79.03 -58.72 3.1 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 111.494 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.508 ' HB3' ' CE1' ' B' ' 42' ' ' PHE . . . -42.45 -28.46 0.21 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.483 -0.761 . . . . 0.0 111.147 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.74 -31.19 70.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.002 -1.061 . . . . 0.0 109.701 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.42 ' HB ' ' HG3' ' A' ' 33' ' ' MET . 95.8 mt -53.69 -32.27 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.173 -0.954 . . . . 0.0 109.365 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -46.9 -34.13 5.18 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.722 -0.611 . . . . 0.0 109.697 179.011 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 31.2 t70 -67.05 -39.41 86.9 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.348 -0.845 . . . . 0.0 109.146 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.421 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 20.6 mt-30 -80.15 -33.61 38.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.426 -0.797 . . . . 0.0 109.537 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.455 ' CD2' ' CB ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -67.33 -37.08 82.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.376 -0.828 . . . . 0.0 109.907 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -78.07 -48.86 15.13 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.325 -0.859 . . . . 0.0 110.129 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.08 -35.95 72.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.233 -0.917 . . . . 0.0 110.1 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' CD1' ' O ' ' A' ' 51' ' ' GLN . 4.5 mt -70.04 -27.12 64.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.293 -0.879 . . . . 0.0 110.087 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -53.92 44.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 110.092 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.34 -30.49 68.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.288 -0.883 . . . . 0.0 110.1 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.2 mt -69.43 -20.01 63.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.219 -0.926 . . . . 0.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -52.18 -29.24 21.4 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.184 -0.948 . . . . 0.0 110.332 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.0 mm -75.75 -39.64 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 0.0 110.162 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -25.45 64.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 110.21 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.335 -0.853 . . . . 0.0 110.199 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' B' ' 21' ' ' ALA . 46.8 Cg_endo . . . . . 0 C--O 1.214 -0.716 0 CA-C-O 121.0 0.334 . . . . 0.0 111.697 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.21 -67.55 0.11 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.272 -0.892 . . . . 0.0 111.536 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.92 -45.62 15.52 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.233 -0.917 . . . . 0.0 110.999 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 9.3 mp -80.55 -47.4 14.25 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.307 -0.87 . . . . 0.0 109.514 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -52.54 -54.96 25.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.674 -0.641 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -62.54 -46.73 87.06 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -58.11 -51.72 68.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 110.308 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.48 -58.19 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.908 . . . . 0.0 110.22 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -60.74 -27.83 68.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.323 -0.861 . . . . 0.0 110.323 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -80.15 -40.79 26.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.28 -0.887 . . . . 0.0 110.313 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.446 ' CB ' ' CD2' ' B' ' 52' ' ' LEU . 39.9 mt -72.83 -36.63 67.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.26 -0.9 . . . . 0.0 110.371 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -46.67 70.4 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.292 -0.88 . . . . 0.0 110.087 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.32 -34.75 63.59 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.421 ' HA ' ' NE2' ' B' ' 35' ' ' GLN . 22.2 tp -67.92 -37.61 81.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.245 -1.15 . . . . 0.0 110.058 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' MET . . . . . 0.412 ' HG3' ' HB ' ' B' ' 48' ' ' ILE . 2.5 ttp -67.14 -23.57 65.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.385 -0.822 . . . . 0.0 110.212 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.09 -57.92 3.4 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.619 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' B' ' 32' ' ' LEU . 8.0 pt20 -49.86 -33.54 17.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.185 -0.947 . . . . 0.0 110.418 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.486 ' CB ' ' CB ' ' B' ' 45' ' ' ALA . 33.8 m-70 -80.2 -56.98 3.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 110.058 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.401 ' HA ' ' HB3' ' B' ' 42' ' ' PHE . . . -49.0 -27.35 3.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.237 -0.914 . . . . 0.0 109.992 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -78.19 -39.37 40.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.413 -0.804 . . . . 0.0 109.499 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -95.51 28.84 2.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.488 -0.757 . . . . 0.0 109.553 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp 55.1 27.54 9.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.496 -0.752 . . . . 0.0 110.556 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.441 ' HB3' ' CB ' ' B' ' 36' ' ' HIS . 0.0 OUTLIER -101.66 15.01 30.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.237 -0.914 . . . . 0.0 109.993 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 5.1 p90 -58.81 -13.65 6.74 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 0.0 111.303 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -49.46 -62.84 1.33 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.601 -1.312 . . . . 0.0 109.508 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 3.9 pt-20 -82.8 -19.83 36.94 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.049 -1.032 . . . . 0.0 109.642 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.486 ' CB ' ' CB ' ' B' ' 36' ' ' HIS . . . -79.07 -58.69 3.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.506 -0.746 . . . . 0.0 111.517 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.502 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -42.49 -28.41 0.21 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.471 -0.768 . . . . 0.0 111.18 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.69 -31.21 70.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.071 -1.018 . . . . 0.0 109.686 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.412 ' HB ' ' HG3' ' B' ' 33' ' ' MET . 95.8 mt -53.63 -32.37 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 0.0 109.401 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -46.84 -34.18 5.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.674 -0.641 . . . . 0.0 109.702 179.043 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' B' ' 49' ' ' ARG . 31.1 t70 -67.0 -39.46 87.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.339 -0.851 . . . . 0.0 109.082 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.412 ' O ' ' CD1' ' B' ' 55' ' ' LEU . 20.6 mt-30 -80.19 -33.65 38.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.454 -0.779 . . . . 0.0 109.471 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.446 ' CD2' ' CB ' ' B' ' 29' ' ' LEU . 0.5 OUTLIER -67.3 -37.08 82.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.475 -0.766 . . . . 0.0 109.9 179.694 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -78.04 -49.02 14.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.38 -0.825 . . . . 0.0 110.074 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.93 -36.03 71.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.239 -0.913 . . . . 0.0 110.053 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.412 ' CD1' ' O ' ' B' ' 51' ' ' GLN . 4.5 mt -69.98 -27.16 64.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 0.0 110.131 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -53.98 43.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.29 -0.882 . . . . 0.0 110.158 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.24 -30.63 68.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -0.878 . . . . 0.0 110.044 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.32 -20.0 63.88 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.278 -0.889 . . . . 0.0 110.261 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -52.15 -29.35 21.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.113 -0.992 . . . . 0.0 110.237 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 48.9 mm -75.69 -39.61 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.243 -0.91 . . . . 0.0 110.223 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.38 -25.45 64.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.279 -0.888 . . . . 0.0 110.132 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.54 -67.84 0.83 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.242 -0.911 . . . . 0.0 110.206 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.183 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 21' ' ' ALA . 47.6 Cg_endo . . . . . 0 N--CA 1.483 0.907 0 N-CA-C 111.1 -0.385 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' CD ' ' C ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 61.49 -69.44 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.695 -0.628 . . . . 0.0 111.218 179.054 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -44.86 -48.11 11.12 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.287 -0.883 . . . . 0.0 110.709 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.493 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 7.3 mp -80.59 -30.45 36.9 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.302 -0.874 . . . . 0.0 108.9 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -57.0 -46.57 82.18 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.097 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -39.06 63.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.927 . . . . 0.0 110.105 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -48.52 74.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 0.0 110.137 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.426 HG21 ' CD1' ' A' ' 52' ' ' LEU . 76.7 mt -63.15 -45.81 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.354 -0.841 . . . . 0.0 110.067 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -67.32 -21.71 65.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 0.0 110.162 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -47.47 44.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 0.0 110.26 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.1 mt -71.72 -41.0 69.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.23 -0.919 . . . . 0.0 110.192 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.19 -47.64 74.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.34 -0.85 . . . . 0.0 110.101 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.31 -24.43 55.59 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 tp -71.2 -35.98 71.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.266 -1.138 . . . . 0.0 110.121 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.49 ' HE2' ' CZ ' ' B' ' 42' ' ' PHE . 5.2 mtp -63.53 -51.38 65.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.175 -0.953 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.2 mtp -50.01 -51.03 45.07 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.346 -0.847 . . . . 0.0 110.693 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.0 -78.44 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.152 -0.967 . . . . 0.0 110.538 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.459 ' CD2' ' HB3' ' A' ' 45' ' ' ALA . 69.0 m-70 -50.29 -54.39 21.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.243 -0.911 . . . . 0.0 110.532 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 33' ' ' MET . . . -46.66 -33.59 4.37 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.349 -0.845 . . . . 0.0 110.274 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -80.12 -33.7 38.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.384 -0.822 . . . . 0.0 109.483 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -94.64 24.71 4.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.462 -0.774 . . . . 0.0 109.694 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' CD2' ' HE3' ' B' ' 33' ' ' MET . 2.3 mp 55.31 40.47 31.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.518 -0.738 . . . . 0.0 110.72 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -120.07 17.31 12.46 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.238 -0.914 . . . . 0.0 109.8 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.532 ' CE1' ' CB ' ' B' ' 46' ' ' ALA . 5.4 p90 -59.95 -9.92 3.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.492 -0.755 . . . . 0.0 111.93 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -50.51 -65.86 0.49 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.476 -1.39 . . . . 0.0 109.156 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -81.84 -18.63 43.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.449 -0.782 . . . . 0.0 109.841 178.207 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.459 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . . . -80.9 -46.0 15.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.149 -0.969 . . . . 0.0 112.093 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.532 ' CB ' ' CE1' ' B' ' 42' ' ' PHE . . . -54.11 -38.11 65.04 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.065 -1.022 . . . . 0.0 111.825 -178.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -51.45 -24.42 4.99 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.675 -1.266 . . . . 0.0 109.809 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.422 HD12 ' NE2' ' A' ' 47' ' ' GLN . 35.7 mm -55.58 -30.7 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.301 -0.874 . . . . 0.0 109.21 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -52.09 -28.69 18.51 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -0.826 . . . . 0.0 109.407 179.179 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -44.58 75.67 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -67.86 -31.21 70.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.367 -0.833 . . . . 0.0 109.372 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.426 ' CD1' HG21 ' A' ' 26' ' ' ILE . 1.6 mm? -68.08 -43.23 79.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.369 -0.832 . . . . 0.0 109.842 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -78.27 -34.89 48.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.331 -0.856 . . . . 0.0 110.028 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.64 -41.13 96.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.316 -0.865 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mp -64.27 -19.92 65.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.922 . . . . 0.0 110.092 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -56.61 -59.7 4.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.919 . . . . 0.0 110.461 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -60.26 -23.52 64.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.199 -0.938 . . . . 0.0 110.235 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -19.95 50.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 110.229 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -50.98 -46.43 61.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.17 -0.956 . . . . 0.0 110.397 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.9 -40.16 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.25 -0.906 . . . . 0.0 110.057 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.22 -21.56 66.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.839 . . . . 0.0 110.148 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.254 -0.904 . . . . 0.0 110.193 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' B' ' 21' ' ' ALA . 48.0 Cg_endo . . . . . 0 N--CA 1.483 0.859 0 N-CA-C 111.136 -0.371 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.404 ' CD ' ' C ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 61.44 -69.42 0.05 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 O-C-N 121.735 -0.603 . . . . 0.0 111.245 179.082 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -44.83 -48.17 11.03 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.365 -0.834 . . . . 0.0 110.702 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.493 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 7.3 mp -80.53 -30.46 37.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.234 -0.916 . . . . 0.0 108.948 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -56.99 -46.47 82.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.62 -0.675 . . . . 0.0 110.157 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -39.08 63.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.132 -0.98 . . . . 0.0 110.104 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -48.61 73.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.266 -0.896 . . . . 0.0 110.177 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.416 HG21 ' CD1' ' B' ' 52' ' ' LEU . 77.2 mt -63.12 -45.72 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 110.179 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -67.33 -21.69 65.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.263 -0.898 . . . . 0.0 110.222 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.95 -47.57 44.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.915 . . . . 0.0 110.207 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 44.3 mt -71.69 -40.95 69.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.251 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.18 -47.58 75.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 110.175 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.37 -24.5 55.97 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 tp -71.12 -35.92 71.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -1.154 . . . . 0.0 110.181 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' MET . . . . . 0.481 ' HE2' ' CZ ' ' A' ' 42' ' ' PHE . 5.0 mtp -63.59 -51.46 65.23 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 3.2 mtp -49.99 -50.94 45.41 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.274 -0.891 . . . . 0.0 110.696 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -78.49 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.199 -0.938 . . . . 0.0 110.504 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.464 ' CD2' ' HB3' ' B' ' 45' ' ' ALA . 69.1 m-70 -50.28 -54.3 22.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.248 -0.907 . . . . 0.0 110.613 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' B' ' 33' ' ' MET . . . -46.71 -33.57 4.42 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.404 -0.81 . . . . 0.0 110.304 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -80.11 -33.64 38.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -0.894 . . . . 0.0 109.509 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -94.69 24.7 4.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.383 -0.823 . . . . 0.0 109.589 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.428 ' CD2' ' HE3' ' A' ' 33' ' ' MET . 2.3 mp 55.37 40.31 31.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.484 -0.76 . . . . 0.0 110.742 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -120.03 17.51 12.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.25 -0.906 . . . . 0.0 109.815 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.532 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 5.4 p90 -60.01 -9.97 3.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.467 -0.771 . . . . 0.0 111.912 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -50.57 -65.78 0.5 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.449 -1.407 . . . . 0.0 109.144 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER -81.95 -18.58 43.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.757 . . . . 0.0 109.833 178.236 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.464 ' HB3' ' CD2' ' B' ' 36' ' ' HIS . . . -80.97 -45.94 15.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.143 -0.973 . . . . 0.0 112.128 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.532 ' CB ' ' CE1' ' A' ' 42' ' ' PHE . . . -54.07 -38.09 64.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.167 -0.958 . . . . 0.0 111.852 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' B' ' 44' ' ' GLU . 0.0 OUTLIER -51.44 -24.48 5.03 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.654 -1.279 . . . . 0.0 109.766 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.418 HD12 ' NE2' ' B' ' 47' ' ' GLN . 35.8 mm -55.53 -30.7 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.324 -0.86 . . . . 0.0 109.141 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.1 OUTLIER -52.01 -28.87 18.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.345 -0.847 . . . . 0.0 109.42 179.147 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -44.52 75.96 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -67.93 -31.27 70.91 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.389 -0.819 . . . . 0.0 109.312 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.416 ' CD1' HG21 ' B' ' 26' ' ' ILE . 1.6 mm? -67.95 -43.3 79.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.78 . . . . 0.0 109.897 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -78.19 -34.94 49.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.884 . . . . 0.0 110.113 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.66 -41.1 96.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.215 -0.928 . . . . 0.0 110.069 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mp -64.2 -19.88 65.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.227 -0.92 . . . . 0.0 110.178 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -56.7 -59.54 4.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.254 -0.904 . . . . 0.0 110.495 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -60.43 -23.44 64.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.121 -0.987 . . . . 0.0 110.28 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -19.92 50.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.231 -0.918 . . . . 0.0 110.283 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -51.03 -46.26 61.55 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.193 -0.942 . . . . 0.0 110.449 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.97 -40.17 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 0.0 110.11 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.53 66.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.882 . . . . 0.0 110.186 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.75 -64.46 1.04 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 110.209 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.21 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' ALA . 47.5 Cg_endo . . . . . 0 C--O 1.214 -0.709 0 CA-C-O 120.939 0.308 . . . . 0.0 111.654 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.65 -67.43 0.12 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.245 -0.909 . . . . 0.0 111.444 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.49 -46.2 18.87 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.113 -0.992 . . . . 0.0 110.9 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.485 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 9.9 mp -80.55 -43.18 21.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.228 -0.92 . . . . 0.0 109.368 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -51.68 -53.12 42.46 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.723 -0.61 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -71.05 -33.35 70.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.229 -0.919 . . . . 0.0 110.138 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -51.58 43.91 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.231 -0.918 . . . . 0.0 110.153 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.421 HG22 ' CD1' ' A' ' 52' ' ' LEU . 95.3 mt -59.71 -50.96 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.0 110.181 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -62.4 -33.36 74.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.339 -0.851 . . . . 0.0 110.254 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -80.03 -40.33 28.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.305 -0.872 . . . . 0.0 110.301 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 mt -71.08 -34.69 71.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 110.375 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.46 -41.58 97.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.212 -0.93 . . . . 0.0 110.315 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.06 -22.93 62.39 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.34 -22.02 66.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.277 -1.131 . . . . 0.0 110.333 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.478 ' CE ' ' CD2' ' B' ' 40' ' ' LEU . 3.3 mtp -65.46 -56.58 11.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.0 110.345 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -34.72 41.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.225 -0.922 . . . . 0.0 110.212 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -74.92 0.07 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.345 -0.847 . . . . 0.0 110.199 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.463 ' CE1' ' OE1' ' A' ' 44' ' ' GLU . 82.4 m-70 -51.71 -45.93 63.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 0.0 110.361 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.425 ' N ' ' HB3' ' A' ' 45' ' ' ALA . . . -53.55 -39.0 64.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.047 -1.033 . . . . 0.0 109.131 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -66.75 -34.0 76.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.384 -0.823 . . . . 0.0 109.269 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -85.33 7.23 23.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.504 -0.748 . . . . 0.0 109.635 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD2' ' CE ' ' B' ' 33' ' ' MET . 0.3 OUTLIER 64.85 17.7 11.13 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.324 -0.86 . . . . 0.0 111.222 179.707 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' GLU . 15.6 mm-40 -65.14 -51.03 63.65 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.531 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 1.5 m-85 62.21 -57.14 0.13 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' GLU . 33.0 tt0 -46.76 -60.4 2.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.974 -1.079 . . . . 0.0 109.715 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 16.3 pt-20 -81.13 -19.08 44.29 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.525 -0.734 . . . . 0.0 110.294 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.438 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -81.0 -51.03 8.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.055 -1.028 . . . . 0.0 111.695 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.532 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -80.35 -19.46 46.37 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.269 -0.894 . . . . 0.0 111.134 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -70.1 -20.54 63.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.819 -1.176 . . . . 0.0 109.974 179.435 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.06 -27.58 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.265 -0.897 . . . . 0.0 110.628 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -53.39 -27.0 21.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.059 -1.026 . . . . 0.0 110.143 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.77 -36.54 36.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 0.0 109.988 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.409 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 30.4 mt-30 -74.2 -32.67 63.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.871 . . . . 0.0 110.005 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.421 ' CD1' HG22 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -69.03 -51.07 42.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.277 -0.89 . . . . 0.0 110.033 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -68.22 -37.56 80.98 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.308 -0.87 . . . . 0.0 110.042 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -70.5 -41.98 71.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.277 -0.889 . . . . 0.0 110.109 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 51' ' ' GLN . 6.2 mt -56.73 -31.22 64.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.282 -0.886 . . . . 0.0 110.097 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -53.57 56.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -0.891 . . . . 0.0 110.161 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.82 -44.46 77.92 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.202 -0.936 . . . . 0.0 110.059 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.3 mt -58.06 -23.95 56.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.365 -0.834 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -53.21 -38.6 63.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.162 -0.961 . . . . 0.0 110.215 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.9 mm -78.13 -36.7 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.162 -0.961 . . . . 0.0 110.158 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.27 66.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.901 . . . . 0.0 110.25 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 110.227 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' B' ' 21' ' ' ALA . 47.5 Cg_endo . . . . . 0 C--O 1.215 -0.668 0 CA-C-O 120.946 0.311 . . . . 0.0 111.592 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.71 -67.34 0.12 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.211 -0.93 . . . . 0.0 111.412 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.63 -46.08 19.53 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.197 -0.939 . . . . 0.0 110.922 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 10.0 mp -80.67 -43.19 20.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.906 . . . . 0.0 109.294 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -51.66 -53.1 42.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.682 -0.636 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -70.96 -33.47 70.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.234 -0.917 . . . . 0.0 110.133 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -51.53 44.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.293 -0.88 . . . . 0.0 110.141 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.421 HG22 ' CD1' ' B' ' 52' ' ' LEU . 95.3 mt -59.67 -51.08 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.887 . . . . 0.0 110.199 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -62.31 -33.34 74.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.311 -0.868 . . . . 0.0 110.228 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -80.05 -40.31 28.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.228 -0.92 . . . . 0.0 110.336 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 38.3 mt -71.12 -34.75 71.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.206 -0.934 . . . . 0.0 110.314 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.47 -41.53 97.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.23 -0.919 . . . . 0.0 110.323 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.05 -22.97 62.33 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.29 -22.1 66.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.142 -1.211 . . . . 0.0 110.355 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' MET . . . . . 0.47 ' CE ' ' CD2' ' A' ' 40' ' ' LEU . 3.3 mtp -65.36 -56.63 11.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.212 -0.93 . . . . 0.0 110.306 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -34.71 41.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -74.93 0.07 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.334 -0.854 . . . . 0.0 110.174 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.465 ' CE1' ' OE1' ' B' ' 44' ' ' GLU . 82.4 m-70 -51.73 -45.9 63.81 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.157 -0.965 . . . . 0.0 110.366 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.425 ' N ' ' HB3' ' B' ' 45' ' ' ALA . . . -53.53 -39.04 64.36 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.1 -1.0 . . . . 0.0 109.146 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -66.74 -34.01 76.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.46 -0.775 . . . . 0.0 109.278 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -85.34 7.32 22.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.427 -0.796 . . . . 0.0 109.697 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.478 ' CD2' ' CE ' ' A' ' 33' ' ' MET . 0.3 OUTLIER 64.85 17.71 11.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.307 -0.87 . . . . 0.0 111.219 179.644 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 43' ' ' GLU . 15.6 mm-40 -65.09 -51.06 63.57 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.532 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 1.5 m-85 62.02 -57.02 0.13 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 178.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 41' ' ' GLU . 33.0 tt0 -46.76 -60.44 2.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.997 -1.064 . . . . 0.0 109.745 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.465 ' OE1' ' CE1' ' B' ' 36' ' ' HIS . 16.3 pt-20 -81.09 -19.03 44.54 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.606 -0.684 . . . . 0.0 110.354 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.439 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.99 -51.09 8.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.031 -1.043 . . . . 0.0 111.645 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.531 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -80.38 -19.45 46.31 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.197 -0.939 . . . . 0.0 111.093 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -70.1 -20.56 63.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.885 -1.135 . . . . 0.0 109.972 179.439 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 83.9 mt -68.1 -27.56 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.254 -0.904 . . . . 0.0 110.652 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 1.0 OUTLIER -53.3 -27.05 21.01 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.051 -1.031 . . . . 0.0 110.229 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -36.49 37.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 0.0 109.949 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.416 ' O ' ' CD1' ' B' ' 55' ' ' LEU . 30.5 mt-30 -74.32 -32.62 62.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 109.985 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.421 ' CD1' HG22 ' B' ' 26' ' ' ILE . 0.3 OUTLIER -69.05 -51.03 43.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.361 -0.837 . . . . 0.0 110.072 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -68.19 -37.55 81.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 0.0 110.079 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -70.45 -42.11 71.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.0 110.127 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' B' ' 51' ' ' GLN . 6.2 mt -56.57 -31.25 64.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 0.0 110.205 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -53.74 53.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.314 -0.866 . . . . 0.0 110.065 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -55.8 -44.44 77.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.913 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 54.8 mt -58.12 -23.83 56.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -0.91 . . . . 0.0 110.232 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -53.31 -38.58 63.29 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.249 -0.907 . . . . 0.0 110.203 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -78.01 -36.8 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.224 -0.922 . . . . 0.0 110.17 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.26 66.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.225 -0.922 . . . . 0.0 110.217 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.16 -65.96 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.305 -0.872 . . . . 0.0 110.186 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.209 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' ALA . 49.8 Cg_endo . . . . . 0 C--O 1.213 -0.736 0 CA-C-O 120.822 0.259 . . . . 0.0 111.548 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 66.39 -63.02 0.26 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.307 -0.87 . . . . 0.0 110.911 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.19 -46.97 24.25 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.157 -0.964 . . . . 0.0 110.356 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.473 ' CD1' ' CD1' ' A' ' 26' ' ' ILE . 4.3 tp -77.08 -60.28 2.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.351 -0.843 . . . . 0.0 109.37 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -47.0 -33.95 5.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.466 -0.772 . . . . 0.0 110.504 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -73.27 -36.12 66.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 109.977 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -46.8 61.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 110.111 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.473 ' CD1' ' CD1' ' A' ' 22' ' ' LEU . 58.8 mt -56.44 -55.39 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.301 -0.874 . . . . 0.0 110.136 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -55.74 -28.84 57.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.279 -0.888 . . . . 0.0 110.204 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.41 -40.97 41.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 110.189 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.457 ' CB ' ' CD2' ' A' ' 52' ' ' LEU . 86.8 mt -77.41 -42.22 37.04 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 110.212 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -37.56 84.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.221 -0.924 . . . . 0.0 110.133 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.76 -25.08 76.34 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.36 -40.63 70.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.254 -1.145 . . . . 0.0 110.103 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.48 ' HE2' ' CZ ' ' B' ' 42' ' ' PHE . 11.8 mtp -53.96 -49.62 68.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.197 -0.94 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' B' ' 38' ' ' GLN . 4.1 mtp -51.92 -44.25 63.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.296 -0.877 . . . . 0.0 110.466 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.148 -0.97 . . . . 0.0 110.501 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.466 ' CB ' ' CB ' ' A' ' 45' ' ' ALA . 4.6 m170 -54.07 -50.62 66.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.909 . . . . 0.0 110.394 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' B' ' 37' ' ' ALA . . . -47.23 -33.56 5.56 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.439 -0.788 . . . . 0.0 110.205 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -79.1 -34.06 43.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 109.443 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -94.33 23.45 5.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.46 -0.775 . . . . 0.0 109.742 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.471 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 5.0 mp 55.76 27.81 11.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.514 -0.741 . . . . 0.0 110.734 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 28.7 mm-40 -106.34 18.11 22.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.305 -0.872 . . . . 0.0 109.887 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.504 ' CE1' ' CB ' ' B' ' 46' ' ' ALA . 5.0 p90 -60.52 -8.89 3.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.424 -0.798 . . . . 0.0 111.969 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -49.81 -67.13 0.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.428 -1.42 . . . . 0.0 109.316 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 3.2 pt-20 -81.9 -19.57 40.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.549 -0.719 . . . . 0.0 109.733 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' CB ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.63 -48.98 15.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.424 -0.798 . . . . 0.0 111.522 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.532 ' CB ' ' CE1' ' B' ' 42' ' ' PHE . . . -51.62 -23.37 4.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.11 -0.994 . . . . 0.0 110.509 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -52.57 -34.03 48.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.951 -1.093 . . . . 0.0 109.83 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.427 ' CG2' ' HB3' ' A' ' 29' ' ' LEU . 70.5 mt -53.11 -27.46 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.358 -0.839 . . . . 0.0 109.204 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -50.89 -34.5 28.49 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.57 -0.706 . . . . 0.0 109.524 179.121 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 4.9 t0 -70.28 -33.83 72.05 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.813 . . . . 0.0 109.757 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -79.01 -40.35 31.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.286 -0.884 . . . . 0.0 109.95 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.457 ' CD2' ' CB ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -61.2 -42.36 98.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.273 -0.892 . . . . 0.0 110.21 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.13 -41.23 95.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.217 -0.927 . . . . 0.0 110.297 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -42.62 60.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.235 -0.916 . . . . 0.0 110.31 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -22.87 65.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.187 -0.945 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -71.69 -54.42 10.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.28 -0.888 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 3.4 pt-20 -58.48 -22.48 55.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.27 -0.894 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -71.25 -19.89 62.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.249 -0.907 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.427 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 24.9 t80 -51.18 -42.15 60.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.241 -0.912 . . . . 0.0 110.464 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.9 -34.4 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.277 -0.89 . . . . 0.0 110.141 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.62 -22.11 66.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.256 -0.903 . . . . 0.0 110.128 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.195 -0.94 . . . . 0.0 110.179 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' B' ' 21' ' ' ALA . 49.7 Cg_endo . . . . . 0 C--O 1.213 -0.753 0 CA-C-O 120.779 0.241 . . . . 0.0 111.546 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' B' ' 19' ' ' PRO . 0.4 OUTLIER 66.29 -62.96 0.26 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.32 -0.863 . . . . 0.0 110.915 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.16 -47.03 23.91 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.121 -0.987 . . . . 0.0 110.407 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.475 ' CD1' ' CD1' ' B' ' 26' ' ' ILE . 4.3 tp -77.07 -60.36 2.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.859 . . . . 0.0 109.358 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -46.9 -33.9 4.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.569 -0.707 . . . . 0.0 110.561 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -73.23 -36.14 66.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.006 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -46.77 61.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.089 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.475 ' CD1' ' CD1' ' B' ' 22' ' ' LEU . 59.1 mt -56.38 -55.46 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -0.944 . . . . 0.0 110.104 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -55.73 -28.85 58.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.206 -0.934 . . . . 0.0 110.195 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.38 -40.92 42.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.0 110.218 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.457 ' CB ' ' CD2' ' B' ' 52' ' ' LEU . 87.1 mt -77.38 -42.4 36.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.19 -0.944 . . . . 0.0 110.175 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -37.47 84.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.261 -0.9 . . . . 0.0 110.145 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.9 -25.14 76.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.21 -40.58 71.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.163 -1.198 . . . . 0.0 110.17 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' MET . . . . . 0.48 ' HE2' ' CZ ' ' A' ' 42' ' ' PHE . 11.9 mtp -54.1 -49.65 68.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.905 . . . . 0.0 110.236 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 4.1 mtp -51.68 -44.35 63.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -77.99 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.199 -0.938 . . . . 0.0 110.452 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.467 ' CB ' ' CB ' ' B' ' 45' ' ' ALA . 4.5 m170 -54.11 -50.74 66.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.199 -0.938 . . . . 0.0 110.358 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.42 ' HB3' ' HB1' ' A' ' 37' ' ' ALA . . . -47.24 -33.28 5.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.375 -0.828 . . . . 0.0 110.18 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.419 ' O ' ' CE ' ' A' ' 34' ' ' MET . 1.8 mt-30 -79.3 -34.2 42.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.222 -0.924 . . . . 0.0 109.493 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -94.22 23.41 5.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.395 -0.815 . . . . 0.0 109.732 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.465 ' N ' ' CD1' ' B' ' 40' ' ' LEU . 5.0 mp 55.85 27.87 11.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.464 -0.773 . . . . 0.0 110.709 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.401 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 28.9 mm-40 -106.48 18.09 22.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.197 -0.939 . . . . 0.0 109.94 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.532 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 4.7 p90 -60.38 -9.11 3.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.461 -0.774 . . . . 0.0 111.896 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -49.7 -67.17 0.28 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.473 -1.392 . . . . 0.0 109.204 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 3.2 pt-20 -81.87 -19.55 40.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.491 -0.756 . . . . 0.0 109.717 178.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.467 ' CB ' ' CB ' ' B' ' 36' ' ' HIS . . . -77.76 -49.29 14.69 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.433 -0.792 . . . . 0.0 111.55 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.504 ' CB ' ' CE1' ' A' ' 42' ' ' PHE . . . -51.44 -23.43 3.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 110.41 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.41 -34.08 46.64 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.98 -1.075 . . . . 0.0 109.778 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' B' ' 29' ' ' LEU . 70.4 mt -53.06 -27.46 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.303 -0.873 . . . . 0.0 109.199 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.429 ' CZ ' ' HA ' ' B' ' 50' ' ' ASP . 0.1 OUTLIER -50.94 -34.56 29.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.475 -0.765 . . . . 0.0 109.47 179.153 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.429 ' HA ' ' CZ ' ' B' ' 49' ' ' ARG . 4.9 t0 -70.19 -33.8 72.17 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.791 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -79.02 -40.38 31.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 0.0 109.93 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.457 ' CD2' ' CB ' ' B' ' 29' ' ' LEU . 0.8 OUTLIER -61.32 -42.19 98.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.307 -0.87 . . . . 0.0 110.218 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.24 -41.17 94.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.332 -0.855 . . . . 0.0 110.316 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -42.61 60.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.213 -0.93 . . . . 0.0 110.282 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -22.87 65.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.263 -0.898 . . . . 0.0 110.216 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -71.63 -54.47 10.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.187 -0.946 . . . . 0.0 110.207 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 3.4 pt-20 -58.53 -22.48 55.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.223 -0.923 . . . . 0.0 110.25 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 0.4 OUTLIER -71.23 -19.9 62.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.299 -0.875 . . . . 0.0 110.329 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . 0.427 ' HA ' ' CD2' ' B' ' 22' ' ' LEU . 24.7 t80 -51.09 -42.29 60.53 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.123 -0.986 . . . . 0.0 110.43 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.87 -34.38 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.872 . . . . 0.0 110.168 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.63 -22.09 66.63 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.313 -0.867 . . . . 0.0 110.133 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.26 -58.87 2.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.257 -0.902 . . . . 0.0 110.228 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.194 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' ALA . 47.7 Cg_endo . . . . . 0 N--CA 1.48 0.707 0 N-CA-C 111.202 -0.345 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.42 -67.01 0.12 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.406 -0.809 . . . . 0.0 111.563 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.39 -45.01 12.37 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.145 -0.972 . . . . 0.0 111.208 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 7.5 mp -80.43 -43.39 21.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.174 -0.954 . . . . 0.0 109.878 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -50.47 -42.5 54.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.594 -0.691 . . . . 0.0 110.656 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -80.05 -43.81 21.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.138 -0.976 . . . . 0.0 110.582 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -63.47 -34.78 78.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.231 -0.918 . . . . 0.0 110.494 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.0 mt -75.22 -51.48 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.964 . . . . 0.0 110.459 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -64.16 -23.57 67.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.167 -0.958 . . . . 0.0 110.423 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -80.1 -59.89 2.54 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.222 -0.924 . . . . 0.0 110.445 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.37 -29.92 50.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 110.479 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -56.52 10.42 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.922 . . . . 0.0 110.363 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.71 -22.18 59.22 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.16 -25.13 47.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.162 -1.199 . . . . 0.0 110.382 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -43.79 97.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.159 -0.963 . . . . 0.0 110.515 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -31.37 39.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.187 -0.946 . . . . 0.0 110.591 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -77.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.211 -0.931 . . . . 0.0 110.677 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.435 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 20.5 m170 -55.07 -50.56 68.83 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 0.0 110.523 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.26 -37.82 17.12 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.209 -0.932 . . . . 0.0 110.042 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -67.75 -33.32 74.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.0 109.391 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -92.12 19.32 6.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.405 -0.809 . . . . 0.0 109.636 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 mp 55.65 23.59 6.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.59 -46.01 70.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.19 -0.944 . . . . 0.0 108.966 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.525 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 2.4 m-85 48.25 -176.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.692 -0.63 . . . . 0.0 111.162 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 29.8 tt0 66.05 -62.71 0.25 Allowed 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.722 0.772 . . . . 0.0 108.957 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' PHE . 18.1 pt-20 -82.37 -33.04 28.93 Favored 'General case' 0 C--N 1.29 -2.004 0 O-C-N 121.789 -0.569 . . . . 0.0 109.834 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -80.68 -44.9 18.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.35 -0.844 . . . . 0.0 111.26 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.531 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -74.86 -19.63 60.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.169 -0.957 . . . . 0.0 111.07 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 12.2 mm-40 -77.16 -19.92 56.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.987 -1.071 . . . . 0.0 110.238 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.3 mt -70.59 -28.89 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.161 -0.962 . . . . 0.0 110.426 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -53.32 -27.33 22.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.099 -1.001 . . . . 0.0 109.924 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.41 -39.6 46.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -0.842 . . . . 0.0 109.885 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -73.73 -42.78 60.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.359 -0.838 . . . . 0.0 109.977 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -37.8 88.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.357 -0.839 . . . . 0.0 110.104 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -73.95 -34.57 64.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.278 -0.888 . . . . 0.0 110.141 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -80.45 -31.2 37.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.224 -0.923 . . . . 0.0 110.19 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.07 -31.38 67.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.3 -0.875 . . . . 0.0 110.742 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -58.45 -22.38 54.36 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.101 -1.0 . . . . 0.0 110.317 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -77.83 -38.26 46.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.261 -0.899 . . . . 0.0 109.972 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mt -57.02 -19.86 21.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.273 -0.892 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.432 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 46.5 t80 -50.04 -45.21 52.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.169 -0.957 . . . . 0.0 110.412 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mt -74.11 -34.6 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 0.0 110.206 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.58 -21.89 61.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 110.156 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.242 -0.911 . . . . 0.0 110.228 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.412 ' HG2' HD11 ' B' ' 22' ' ' LEU . 48.0 Cg_endo . . . . . 0 C--O 1.214 -0.71 0 CA-C-O 120.988 0.329 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.32 -66.97 0.11 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.424 -0.798 . . . . 0.0 111.593 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.36 -45.01 12.27 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.245 -0.909 . . . . 0.0 111.21 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 7.5 mp -80.47 -43.3 21.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.209 -0.932 . . . . 0.0 109.874 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -50.54 -42.45 55.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.51 -0.744 . . . . 0.0 110.676 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -80.15 -43.71 21.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.946 . . . . 0.0 110.571 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -63.36 -34.93 78.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 110.538 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 93.9 mt -75.23 -51.48 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.189 -0.945 . . . . 0.0 110.345 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -64.17 -23.58 67.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.251 -0.905 . . . . 0.0 110.362 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.16 -59.84 2.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.22 -0.925 . . . . 0.0 110.438 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -30.02 49.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.92 . . . . 0.0 110.437 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -56.59 10.19 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.243 -0.91 . . . . 0.0 110.36 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.74 -22.09 59.17 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.25 -25.11 46.72 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.221 -1.164 . . . . 0.0 110.324 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.1 -43.73 97.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.263 -0.898 . . . . 0.0 110.527 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -31.45 39.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.3 -0.875 . . . . 0.0 110.682 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -77.52 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 110.602 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.453 ' HB2' ' CB ' ' B' ' 45' ' ' ALA . 20.5 m170 -55.09 -50.44 69.18 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.148 -0.97 . . . . 0.0 110.538 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.3 -37.79 17.28 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.151 -0.968 . . . . 0.0 110.051 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -67.79 -33.29 74.52 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.322 -0.861 . . . . 0.0 109.363 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -92.22 19.41 7.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.438 -0.789 . . . . 0.0 109.616 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 mp 55.64 23.53 6.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.48 -45.99 70.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.172 -0.955 . . . . 0.0 108.938 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.531 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 2.4 m-85 48.17 -176.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.715 -0.616 . . . . 0.0 111.152 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 29.8 tt0 66.09 -62.78 0.25 Allowed 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 121.758 0.789 . . . . 0.0 109.028 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' B' ' 42' ' ' PHE . 18.0 pt-20 -82.27 -33.03 29.3 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-O 121.355 0.598 . . . . 0.0 109.92 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.75 -44.83 18.01 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.286 -0.883 . . . . 0.0 111.195 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.525 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -74.9 -19.65 60.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.22 -0.925 . . . . 0.0 111.114 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 12.2 mm-40 -77.23 -19.84 56.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.917 -1.114 . . . . 0.0 110.305 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 70.4 mt -70.62 -28.9 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -0.882 . . . . 0.0 110.421 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.4 OUTLIER -53.22 -27.31 21.35 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.13 -0.981 . . . . 0.0 109.977 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.58 -39.36 45.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.303 -0.873 . . . . 0.0 109.874 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -73.79 -42.78 60.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.978 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -37.93 89.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.351 -0.843 . . . . 0.0 110.036 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 0.6 OUTLIER -73.95 -34.45 64.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.292 -0.88 . . . . 0.0 110.153 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -80.48 -31.25 37.35 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 110.222 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -31.33 67.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.866 . . . . 0.0 110.786 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' B' ' 53' ' ' HIS . 0.0 OUTLIER -58.5 -22.29 54.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.143 -0.973 . . . . 0.0 110.321 -179.758 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -77.82 -38.28 46.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 109.989 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mt -57.02 -19.86 21.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.346 -0.846 . . . . 0.0 110.333 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . 0.43 ' HA ' ' CD2' ' B' ' 22' ' ' LEU . 46.7 t80 -49.96 -45.32 51.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.213 -0.93 . . . . 0.0 110.414 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mt -74.05 -34.73 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.263 -0.898 . . . . 0.0 110.165 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.44 -21.97 61.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.279 -0.888 . . . . 0.0 110.176 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.98 -61.83 1.33 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 0.0 110.215 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.169 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' ALA . 48.7 Cg_endo . . . . . 0 N--CA 1.483 0.872 0 CA-C-O 120.774 0.239 . . . . 0.0 111.661 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.27 -72.36 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.363 -0.836 . . . . 0.0 112.339 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.04 -49.64 11.3 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.089 -1.007 . . . . 0.0 111.311 -178.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 8.9 mp -80.56 -37.3 31.65 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.156 -0.965 . . . . 0.0 109.546 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -51.03 -44.53 61.08 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.592 -0.693 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -75.99 -50.8 13.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.303 -0.873 . . . . 0.0 110.32 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -36.22 61.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.915 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.6 mt -78.96 -46.57 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 110.299 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.78 -21.96 65.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.27 -0.894 . . . . 0.0 110.243 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.418 ' OE1' ' CA ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -78.77 -52.52 8.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.285 -0.884 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 mt -75.36 -35.54 61.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.238 -0.914 . . . . 0.0 110.235 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -67.58 -37.4 82.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.28 -29.67 55.86 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.52 -33.83 75.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.25 -1.147 . . . . 0.0 110.233 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.42 ' CG ' ' HB ' ' A' ' 48' ' ' ILE . 1.4 mtp -56.21 -30.51 62.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.322 -0.861 . . . . 0.0 110.219 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.64 -32.22 62.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.278 -0.889 . . . . 0.0 110.304 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -76.36 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -0.886 . . . . 0.0 110.363 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.48 ' CD2' ' HG2' ' A' ' 41' ' ' GLU . 13.5 m170 -54.0 -49.01 69.82 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.162 -0.962 . . . . 0.0 110.375 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 33' ' ' MET . . . -48.87 -37.3 19.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.179 -0.951 . . . . 0.0 110.061 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.27 -36.07 82.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.311 -0.868 . . . . 0.0 109.572 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -92.3 20.34 6.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.415 -0.803 . . . . 0.0 109.697 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp 55.22 24.65 6.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 110.786 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -66.86 -48.35 69.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.121 -0.987 . . . . 0.0 109.122 178.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.521 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 5.3 m-85 48.93 -176.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.632 -0.668 . . . . 0.0 111.084 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.492 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 31.3 tt0 65.85 -62.37 0.25 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.772 0.796 . . . . 0.0 109.322 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.472 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 15.6 pt-20 -82.28 -32.26 29.67 Favored 'General case' 0 C--N 1.291 -1.968 0 O-C-N 121.754 -0.591 . . . . 0.0 110.081 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.442 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -80.74 -44.39 18.72 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.268 -0.895 . . . . 0.0 111.21 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.541 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -75.02 -33.99 61.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.113 -0.992 . . . . 0.0 110.935 -179.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.425 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 34.9 mt-30 -54.43 -25.38 24.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.851 -1.156 . . . . 0.0 109.966 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.42 ' HB ' ' CG ' ' A' ' 33' ' ' MET . 62.9 mt -62.81 -26.42 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 110.223 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -53.08 -26.29 15.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.142 -0.974 . . . . 0.0 109.903 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -77.84 -40.49 40.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.366 -0.834 . . . . 0.0 109.807 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -64.72 -37.18 86.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.303 -0.873 . . . . 0.0 109.859 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -42.1 74.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.873 . . . . 0.0 110.037 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -54.17 -41.07 68.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.008 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.32 -30.52 38.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 0.0 110.126 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -39.23 78.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 110.494 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 3.3 ppt_? -58.84 -22.34 58.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.202 -0.936 . . . . 0.0 110.266 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 33.6 mt-10 -66.05 -39.04 89.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.28 -0.887 . . . . 0.0 109.971 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -22.72 9.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.344 -0.848 . . . . 0.0 110.193 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.54 -36.45 55.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.932 . . . . 0.0 110.218 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.91 -42.31 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 0.0 110.157 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.32 -21.96 65.64 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.262 -0.899 . . . . 0.0 110.147 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 110.194 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' B' ' 21' ' ' ALA . 49.4 Cg_endo . . . . . 0 N--CA 1.483 0.873 0 CA-C-O 120.757 0.232 . . . . 0.0 111.686 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.26 -72.38 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.42 -0.8 . . . . 0.0 112.295 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.06 -49.52 11.49 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.144 -0.972 . . . . 0.0 111.331 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.471 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 8.9 mp -80.66 -37.34 31.06 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.278 -0.889 . . . . 0.0 109.473 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -51.04 -44.46 61.07 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.469 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -75.99 -50.83 13.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.913 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -36.18 61.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 0.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.6 mt -79.11 -46.64 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.196 -0.94 . . . . 0.0 110.176 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -22.07 64.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.268 -0.895 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.416 ' CA ' ' OE1' ' B' ' 28' ' ' GLU . 0.0 OUTLIER -78.76 -52.48 8.31 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.185 -0.947 . . . . 0.0 110.232 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 mt -75.4 -35.48 61.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.182 -0.949 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -67.65 -37.55 82.58 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.324 -0.86 . . . . 0.0 110.203 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.24 -29.69 55.95 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -33.87 75.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -1.13 . . . . 0.0 110.204 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' MET . . . . . 0.425 ' CG ' ' HB ' ' B' ' 48' ' ' ILE . 1.4 mtp -56.19 -30.4 62.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 110.314 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.81 -32.21 61.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.236 -0.915 . . . . 0.0 110.27 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -76.4 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.225 -0.922 . . . . 0.0 110.365 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.474 ' CE1' ' OE1' ' B' ' 44' ' ' GLU . 13.6 m170 -53.97 -49.01 69.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.929 . . . . 0.0 110.366 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' B' ' 33' ' ' MET . . . -48.94 -37.04 18.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.104 -0.997 . . . . 0.0 110.077 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -36.09 82.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 0.0 109.515 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -92.26 20.2 6.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.335 -0.853 . . . . 0.0 109.745 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp 55.27 24.62 6.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.407 -0.808 . . . . 0.0 110.786 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' B' ' 36' ' ' HIS . 0.0 OUTLIER -66.78 -48.53 68.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.209 -0.932 . . . . 0.0 109.073 178.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.541 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 5.1 m-85 49.0 -176.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.603 -0.686 . . . . 0.0 111.185 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 31.3 tt0 65.83 -62.26 0.25 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.678 0.751 . . . . 0.0 109.221 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.474 ' OE1' ' CE1' ' B' ' 36' ' ' HIS . 15.6 pt-20 -82.26 -32.23 29.73 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 121.755 -0.59 . . . . 0.0 110.012 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.82 -44.65 18.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.193 -0.942 . . . . 0.0 111.287 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -74.9 -33.95 62.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.086 -1.009 . . . . 0.0 110.783 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 34.4 mt-30 -54.47 -25.43 25.2 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.843 -1.161 . . . . 0.0 109.953 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.425 ' HB ' ' CG ' ' B' ' 33' ' ' MET . 63.1 mt -62.68 -26.38 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -0.886 . . . . 0.0 110.22 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.2 OUTLIER -53.09 -26.25 15.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.136 -0.978 . . . . 0.0 109.913 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -77.79 -40.67 39.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.396 -0.815 . . . . 0.0 109.819 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -64.59 -37.24 86.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.263 -0.898 . . . . 0.0 109.9 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -42.12 74.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 0.0 109.998 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.427 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 0.2 OUTLIER -54.19 -40.99 68.08 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.246 -0.909 . . . . 0.0 109.947 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.38 -30.63 37.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.235 -0.916 . . . . 0.0 110.073 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.07 -39.15 79.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.282 -0.886 . . . . 0.0 110.607 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' B' ' 57' ' ' GLU . 3.3 ppt_? -58.91 -22.26 59.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.168 -0.958 . . . . 0.0 110.277 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' B' ' 56' ' ' ARG . 33.6 mt-10 -66.12 -39.09 89.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.268 -0.895 . . . . 0.0 109.931 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -22.74 8.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.341 -0.849 . . . . 0.0 110.162 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -52.58 -36.42 56.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 0.0 110.244 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.87 -42.36 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.41 -21.87 65.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.361 -0.837 . . . . 0.0 110.142 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.63 -60.06 1.6 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.223 -0.923 . . . . 0.0 110.195 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.232 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' ALA . 46.0 Cg_endo . . . . . 0 C--O 1.214 -0.708 0 CA-C-O 120.917 0.299 . . . . 0.0 111.713 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -68.05 0.1 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.268 -0.895 . . . . 0.0 111.577 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.31 -47.61 18.36 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.177 -0.952 . . . . 0.0 110.891 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 8.9 mp -80.54 -41.64 23.8 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.348 -0.845 . . . . 0.0 109.42 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -51.48 -51.99 50.44 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.655 -0.653 . . . . 0.0 110.374 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.3 -53.27 38.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.314 -0.866 . . . . 0.0 110.343 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -39.8 62.98 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.21 -0.931 . . . . 0.0 110.306 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.7 mt -75.15 -54.44 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.161 -0.962 . . . . 0.0 110.214 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -62.95 -29.44 70.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.268 -0.895 . . . . 0.0 110.291 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -77.84 -48.33 16.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.228 -0.92 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.435 ' CB ' ' CD2' ' A' ' 52' ' ' LEU . 24.3 mt -63.94 -42.16 97.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.17 -48.29 73.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.273 -0.892 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.17 -25.87 74.34 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.4 -27.96 64.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.266 -1.138 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.8 mtp -58.87 -61.38 2.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -0.927 . . . . 0.0 110.329 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.1 tpp -53.33 -39.89 64.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.221 -0.925 . . . . 0.0 110.158 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -73.88 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.852 . . . . 0.0 110.057 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.488 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 5.1 m-70 -52.62 -46.18 66.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.325 -0.859 . . . . 0.0 110.225 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.433 ' N ' ' HB3' ' A' ' 45' ' ' ALA . . . -54.61 -43.73 72.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.039 -1.038 . . . . 0.0 109.153 179.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -59.62 -32.11 70.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.322 -0.861 . . . . 0.0 109.127 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 12.9 m-20 -89.85 15.26 10.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.419 -0.801 . . . . 0.0 109.513 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 6.6 mp 56.7 20.13 4.84 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.47 -0.769 . . . . 0.0 111.246 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' GLU . 1.2 mm-40 -65.33 -51.96 57.08 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.533 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 3.1 m-85 61.71 -57.45 0.11 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 178.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' GLU . 25.5 tt0 -47.88 -59.41 3.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.807 -1.183 . . . . 0.0 109.477 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' HG3' ' CD2' ' A' ' 36' ' ' HIS . 13.0 pt-20 -81.4 -19.44 42.59 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.667 -0.646 . . . . 0.0 110.304 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -82.04 -51.14 8.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.111 -0.993 . . . . 0.0 112.071 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.53 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -80.23 -20.04 45.53 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.103 -0.998 . . . . 0.0 111.546 -178.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 48' ' ' ILE . 7.2 pt20 -67.67 -26.95 66.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.768 -1.207 . . . . 0.0 109.346 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.443 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 40.7 mm -56.84 -28.92 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.188 -0.945 . . . . 0.0 109.206 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -53.9 -30.86 47.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.537 -0.727 . . . . 0.0 109.495 179.363 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 33.7 t0 -76.16 -35.73 59.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.882 . . . . 0.0 109.845 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -76.24 -42.57 45.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.0 110.025 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.435 ' CD2' ' CB ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -61.72 -46.65 88.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 110.215 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.3 -40.85 74.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -71.03 -49.89 39.97 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.194 -0.941 . . . . 0.0 110.241 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.14 -21.42 13.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.314 -0.867 . . . . 0.0 110.244 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -52.36 56.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 110.267 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.53 -33.75 73.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.92 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.4 mt -68.97 -23.04 64.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.247 -0.908 . . . . 0.0 110.209 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -58.3 -48.13 81.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.25 -0.906 . . . . 0.0 110.163 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -72.83 -45.47 56.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.947 . . . . 0.0 110.217 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.49 -27.42 25.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.286 -0.884 . . . . 0.0 110.218 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' B' ' 21' ' ' ALA . 46.5 Cg_endo . . . . . 0 C--O 1.214 -0.701 0 CA-C-O 120.865 0.277 . . . . 0.0 111.671 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.88 -68.02 0.09 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.319 -0.863 . . . . 0.0 111.646 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.3 -47.66 18.31 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.122 -0.986 . . . . 0.0 110.913 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 8.9 mp -80.49 -41.62 24.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.253 -0.904 . . . . 0.0 109.399 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -51.4 -52.11 48.85 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.665 -0.647 . . . . 0.0 110.448 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.18 -53.31 38.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.332 -0.855 . . . . 0.0 110.385 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -39.76 63.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.24 -0.913 . . . . 0.0 110.328 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 95.5 mt -75.08 -54.44 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.159 -0.963 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -63.01 -29.33 70.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.226 -0.922 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -77.97 -48.33 16.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.221 -0.924 . . . . 0.0 110.239 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.444 ' CB ' ' CD2' ' B' ' 52' ' ' LEU . 24.5 mt -63.85 -42.18 97.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.234 -0.916 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.29 -48.26 74.34 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.202 -0.936 . . . . 0.0 110.261 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.11 -25.82 74.31 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -70.58 -28.04 64.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.189 -1.183 . . . . 0.0 110.205 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 1.8 mtp -58.83 -61.33 2.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 34.4 tpp -53.3 -39.89 64.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.167 -0.958 . . . . 0.0 110.193 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -73.9 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.312 -0.868 . . . . 0.0 110.081 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.484 ' CD2' ' HG3' ' B' ' 44' ' ' GLU . 5.1 m-70 -52.58 -46.19 66.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.204 -0.935 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.434 ' N ' ' HB3' ' B' ' 45' ' ' ALA . . . -54.69 -43.81 72.81 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.122 -0.986 . . . . 0.0 109.203 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -59.4 -32.17 69.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.363 -0.835 . . . . 0.0 109.1 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -89.79 15.2 10.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.49 -0.756 . . . . 0.0 109.513 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mp 56.58 20.27 4.82 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.501 -0.749 . . . . 0.0 111.272 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 43' ' ' GLU . 1.2 mm-40 -65.42 -51.81 57.67 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.53 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 3.0 m-85 61.69 -57.47 0.11 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 178.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 41' ' ' GLU . 25.4 tt0 -47.88 -59.56 3.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.753 -1.217 . . . . 0.0 109.507 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.484 ' HG3' ' CD2' ' B' ' 36' ' ' HIS . 13.0 pt-20 -81.38 -19.27 43.0 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.657 -0.652 . . . . 0.0 110.333 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -82.2 -50.96 8.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.071 -1.018 . . . . 0.0 111.938 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.533 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -80.34 -20.01 45.17 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.209 -0.932 . . . . 0.0 111.558 -178.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' B' ' 48' ' ' ILE . 7.2 pt20 -67.67 -26.86 66.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.863 -1.148 . . . . 0.0 109.344 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' B' ' 47' ' ' GLN . 40.8 mm -56.95 -28.91 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.227 -0.921 . . . . 0.0 109.173 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.427 ' CZ ' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -53.92 -30.82 47.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.557 -0.715 . . . . 0.0 109.568 179.372 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.427 ' HA ' ' CZ ' ' B' ' 49' ' ' ARG . 33.7 t0 -76.26 -35.61 58.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 109.831 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -76.23 -42.64 45.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.898 . . . . 0.0 110.057 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.444 ' CD2' ' CB ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -61.73 -46.62 88.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 110.163 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -40.9 75.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.322 -0.861 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -70.9 -50.0 39.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.11 -21.37 12.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.229 -0.92 . . . . 0.0 110.321 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -52.26 57.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 110.334 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.51 -34.05 73.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.249 -0.907 . . . . 0.0 110.169 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 38.7 mt -68.83 -23.04 64.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.301 -0.875 . . . . 0.0 110.228 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.24 -48.06 81.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 110.296 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -72.87 -45.36 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 0.0 110.217 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.63 -27.46 27.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.257 -0.902 . . . . 0.0 110.217 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.06 -61.29 1.61 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.922 . . . . 0.0 110.198 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.172 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' ALA . 46.4 Cg_endo . . . . . 0 C--O 1.214 -0.675 0 CA-C-O 120.885 0.286 . . . . 0.0 111.662 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? 63.86 -68.0 0.09 Allowed 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.323 -0.861 . . . . 0.0 111.576 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.16 -46.62 17.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.208 -0.932 . . . . 0.0 110.998 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.487 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 9.1 mp -80.47 -42.85 21.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.267 -0.896 . . . . 0.0 109.426 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -51.97 -44.82 64.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.682 -0.636 . . . . 0.0 110.295 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -46.97 61.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.194 -0.941 . . . . 0.0 110.188 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -60.69 -49.25 78.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 81.7 mt -54.4 -56.77 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 0.0 110.148 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.88 -19.93 65.82 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.229 -0.92 . . . . 0.0 110.325 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.61 -47.57 16.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -0.934 . . . . 0.0 110.224 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 mt -52.84 -37.26 59.94 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 110.235 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -45.12 83.67 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.295 -0.878 . . . . 0.0 110.18 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.96 -32.42 82.03 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -78.04 -23.18 48.26 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.251 -1.147 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.418 ' HE3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -61.87 -58.86 6.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.283 -0.885 . . . . 0.0 110.395 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.4 ttm -63.06 -31.93 73.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.227 -0.92 . . . . 0.0 110.308 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -76.3 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.93 . . . . 0.0 110.298 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.47 ' CD2' ' OE1' ' A' ' 44' ' ' GLU . 23.3 m-70 -52.48 -50.86 61.88 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.19 -0.944 . . . . 0.0 110.41 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.76 -43.91 38.2 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.169 -0.957 . . . . 0.0 110.064 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -58.9 -33.42 70.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 0.0 109.266 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -91.6 17.13 9.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.379 -0.826 . . . . 0.0 109.623 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mp 55.9 25.41 8.58 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.41 -0.806 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -69.57 -45.86 67.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.113 -0.992 . . . . 0.0 109.021 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.529 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 7.4 m-85 48.93 -177.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.665 -0.647 . . . . 0.0 111.274 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.492 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 30.1 tt0 66.18 -63.25 0.24 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.774 0.797 . . . . 0.0 109.033 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.47 ' OE1' ' CD2' ' A' ' 36' ' ' HIS . 11.6 pt-20 -82.62 -31.45 28.85 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-O 121.369 0.604 . . . . 0.0 109.708 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -80.96 -46.26 15.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.424 -0.798 . . . . 0.0 111.135 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -74.38 -19.55 60.39 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.272 -0.892 . . . . 0.0 110.977 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 14.9 mm-40 -72.91 -19.81 61.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.959 -1.088 . . . . 0.0 110.212 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.5 mm -70.36 -29.49 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.118 -0.989 . . . . 0.0 110.69 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -52.88 -27.48 18.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.028 -1.045 . . . . 0.0 110.107 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.03 -36.41 41.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.371 -0.831 . . . . 0.0 109.785 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.413 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 29.6 mt-30 -68.41 -33.99 75.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.885 . . . . 0.0 110.021 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' CD1' ' HE3' ' A' ' 33' ' ' MET . 2.7 mt -54.03 -52.02 62.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.874 . . . . 0.0 110.011 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -70.49 -38.35 74.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.355 -0.84 . . . . 0.0 110.121 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.94 -43.66 98.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.107 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 51' ' ' GLN . 2.0 mp -71.13 -23.97 62.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.247 -0.908 . . . . 0.0 110.147 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -59.47 -53.53 57.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.255 -0.903 . . . . 0.0 110.145 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.6 pt-20 -62.67 -23.37 67.08 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 0.0 110.147 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.433 HD21 ' CD2' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -70.95 -22.15 62.25 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.208 -0.933 . . . . 0.0 110.145 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -53.31 -47.0 69.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 0.0 110.183 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.5 mt -66.45 -48.79 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.911 . . . . 0.0 110.152 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.34 -24.46 29.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 110.091 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.274 -0.891 . . . . 0.0 110.202 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' B' ' 21' ' ' ALA . 45.7 Cg_endo . . . . . 0 C--O 1.214 -0.7 0 CA-C-O 120.98 0.325 . . . . 0.0 111.628 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? 63.89 -68.17 0.09 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.325 -0.859 . . . . 0.0 111.625 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.99 -46.76 16.6 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.141 -0.974 . . . . 0.0 111.002 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.48 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 9.2 mp -80.5 -42.75 21.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -0.911 . . . . 0.0 109.415 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -52.01 -44.84 64.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.654 -0.654 . . . . 0.0 110.345 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -47.12 61.32 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.923 . . . . 0.0 110.246 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -60.53 -49.33 77.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.219 -0.926 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 81.9 mt -54.4 -56.77 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.135 -0.978 . . . . 0.0 110.152 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.87 -19.94 65.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.207 -0.933 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.59 -47.5 17.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.275 -0.891 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mt -52.9 -37.22 60.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.227 -0.92 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -45.15 83.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.309 -0.87 . . . . 0.0 110.193 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.5 82.27 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -77.98 -23.1 48.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -1.125 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' MET . . . . . 0.424 ' HE3' ' CD1' ' B' ' 52' ' ' LEU . 0.0 OUTLIER -61.91 -58.88 6.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.321 -0.862 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.5 ttm -63.09 -31.87 73.12 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.245 -0.909 . . . . 0.0 110.307 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -76.33 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.264 -0.897 . . . . 0.0 110.315 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.473 ' CD2' ' OE1' ' B' ' 44' ' ' GLU . 23.4 m-70 -52.39 -50.98 61.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 110.388 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.75 -43.78 37.93 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.197 -0.939 . . . . 0.0 110.11 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -58.97 -33.44 70.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.256 -0.902 . . . . 0.0 109.216 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -91.61 17.22 9.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.438 -0.789 . . . . 0.0 109.596 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mp 55.82 25.46 8.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.513 -0.742 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -69.51 -45.97 67.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.188 -0.945 . . . . 0.0 109.003 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.521 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 7.3 m-85 49.01 -177.57 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.676 -0.64 . . . . 0.0 111.282 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 30.1 tt0 66.15 -63.23 0.24 Allowed 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 121.815 0.817 . . . . 0.0 108.995 -178.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.473 ' OE1' ' CD2' ' B' ' 36' ' ' HIS . 11.6 pt-20 -82.69 -31.45 28.6 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.419 0.628 . . . . 0.0 109.677 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.441 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.89 -46.28 15.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.3 -0.875 . . . . 0.0 111.11 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.529 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -74.43 -19.53 60.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.136 -0.978 . . . . 0.0 110.981 -178.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 14.8 mm-40 -72.98 -19.71 61.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.956 -1.09 . . . . 0.0 110.202 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.6 mm -70.38 -29.52 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.155 -0.966 . . . . 0.0 110.601 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.7 OUTLIER -52.81 -27.55 18.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.039 -1.038 . . . . 0.0 110.149 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.0 -36.43 41.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.307 -0.871 . . . . 0.0 109.808 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.419 ' O ' ' CD1' ' B' ' 55' ' ' LEU . 29.9 mt-30 -68.4 -34.01 75.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.323 -0.861 . . . . 0.0 109.984 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.424 ' CD1' ' HE3' ' B' ' 33' ' ' MET . 2.7 mt -54.05 -51.94 62.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.294 -0.879 . . . . 0.0 109.976 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -70.53 -38.5 74.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.26 -0.9 . . . . 0.0 109.976 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.81 -43.81 97.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.251 -0.905 . . . . 0.0 110.095 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.419 ' CD1' ' O ' ' B' ' 51' ' ' GLN . 2.0 mp -71.07 -24.09 62.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.309 -0.869 . . . . 0.0 110.102 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -59.37 -53.6 56.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.316 -0.865 . . . . 0.0 110.158 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.5 pt-20 -62.67 -23.32 67.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.347 -0.846 . . . . 0.0 110.161 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.429 HD21 ' CD2' ' B' ' 22' ' ' LEU . 0.2 OUTLIER -70.94 -22.17 62.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.317 -0.865 . . . . 0.0 110.187 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -53.21 -47.06 69.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.249 -0.907 . . . . 0.0 110.116 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 10.4 mt -66.49 -48.89 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.263 -0.898 . . . . 0.0 110.143 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.12 -24.6 26.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.913 . . . . 0.0 110.157 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.34 -71.02 0.67 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.227 -0.921 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.239 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HB2' ' HB2' ' A' ' 22' ' ' LEU . 40.4 Cg_endo . . . . . 0 N--CA 1.482 0.843 0 CA-C-O 120.952 0.313 . . . . 0.0 111.646 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 68.94 -66.54 0.24 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.386 -0.821 . . . . 0.0 108.983 -178.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CD ' ' A' ' 25' ' ' LYS . . . -57.18 -28.21 62.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.117 -0.989 . . . . 0.0 108.82 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.519 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 8.2 mp -77.79 -48.87 15.53 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -50.01 -55.82 13.16 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.497 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -45.31 93.82 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.359 -0.838 . . . . 0.0 110.416 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 21' ' ' ALA . 3.4 mttp -62.28 -52.97 61.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.119 -0.988 . . . . 0.0 110.365 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.1 mt -53.0 -50.7 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 110.238 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.46 -19.87 63.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.278 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.16 -39.18 55.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 110.242 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -78.82 -40.91 31.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -0.909 . . . . 0.0 110.151 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.3 -42.44 66.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.176 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.18 -21.06 65.9 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -56.43 -55.99 26.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -1.206 . . . . 0.0 110.406 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.449 ' SD ' ' CE2' ' B' ' 42' ' ' PHE . 0.3 OUTLIER -79.52 -19.83 48.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.068 -1.02 . . . . 0.0 110.205 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.93 52.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.125 -0.984 . . . . 0.0 109.963 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 36' ' ' HIS . 6.2 pt20 -54.35 -24.95 21.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.17 -0.956 . . . . 0.0 109.65 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.458 ' CB ' ' CB ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -80.19 -55.42 4.93 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.433 -0.792 . . . . 0.0 109.83 179.391 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 42' ' ' PHE . . . -49.91 -35.86 25.35 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.207 -0.933 . . . . 0.0 109.546 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.26 -36.88 71.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.404 -0.81 . . . . 0.0 109.211 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 5.0 m120 -95.46 25.66 4.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.463 -0.773 . . . . 0.0 109.68 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 1.2 mp 56.1 44.97 24.39 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.6 -0.687 . . . . 0.0 110.762 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 4.3 mm-40 -128.11 18.02 6.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 0.0 109.954 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.526 ' CE1' ' CB ' ' B' ' 46' ' ' ALA . 7.3 p90 -60.42 -9.6 3.8 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.454 -0.779 . . . . 0.0 111.724 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -49.52 -68.08 0.21 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.553 -1.342 . . . . 0.0 109.305 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 4.0 pt-20 -81.34 -19.35 42.99 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.576 -0.702 . . . . 0.0 109.624 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.458 ' CB ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.57 -54.34 6.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.325 -0.859 . . . . 0.0 111.33 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.52 ' CB ' ' CE1' ' B' ' 42' ' ' PHE . . . -44.53 -29.99 0.81 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.352 -0.842 . . . . 0.0 111.117 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -55.74 -32.94 63.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.034 -1.042 . . . . 0.0 109.704 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.421 ' CG2' HD22 ' A' ' 52' ' ' LEU . 35.6 mm -51.26 -33.21 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.318 -0.864 . . . . 0.0 109.725 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.419 ' NH2' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -48.57 -29.68 4.51 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.507 -0.745 . . . . 0.0 109.525 179.05 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.419 ' HA ' ' NH2' ' A' ' 49' ' ' ARG . 12.0 t70 -69.17 -40.2 78.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.428 -0.795 . . . . 0.0 109.235 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -80.22 -30.83 38.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.437 -0.789 . . . . 0.0 109.685 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.421 HD22 ' CG2' ' A' ' 48' ' ' ILE . 1.2 mm? -65.41 -40.5 93.48 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.456 -0.777 . . . . 0.0 110.152 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -74.53 -39.55 62.29 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.925 . . . . 0.0 110.158 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -64.66 -51.97 59.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.225 -0.922 . . . . 0.0 110.259 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.46 -32.23 73.08 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.843 . . . . 0.0 110.153 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.07 -47.3 86.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.233 -0.917 . . . . 0.0 110.186 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.22 -32.8 49.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.274 -0.891 . . . . 0.0 110.197 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.72 -32.73 60.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.156 -0.965 . . . . 0.0 110.176 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.93 -44.8 74.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.237 -0.914 . . . . 0.0 110.151 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.38 -41.26 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.305 -0.872 . . . . 0.0 110.117 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.71 -21.44 64.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.237 -0.914 . . . . 0.0 110.246 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.228 -0.92 . . . . 0.0 110.141 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.437 ' HB2' ' HB2' ' B' ' 22' ' ' LEU . 40.1 Cg_endo . . . . . 0 N--CA 1.482 0.812 0 CA-C-O 120.899 0.291 . . . . 0.0 111.663 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 68.88 -66.47 0.25 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.319 -0.863 . . . . 0.0 109.015 -178.676 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.417 ' O ' ' CD ' ' B' ' 25' ' ' LYS . . . -57.28 -28.08 62.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.165 -0.959 . . . . 0.0 108.806 178.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 8.3 mp -77.77 -48.99 15.28 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -49.9 -55.82 12.91 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.552 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.31 93.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.871 . . . . 0.0 110.445 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' B' ' 21' ' ' ALA . 3.4 mttp -62.35 -53.03 61.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.264 -0.898 . . . . 0.0 110.366 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.2 mt -52.88 -50.76 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.133 -0.979 . . . . 0.0 110.209 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.37 -19.96 63.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.349 -0.845 . . . . 0.0 110.268 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.13 -39.06 55.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.218 -0.926 . . . . 0.0 110.34 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 18.2 mt -78.9 -40.91 30.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.197 -0.939 . . . . 0.0 110.103 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.38 -42.32 66.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.855 . . . . 0.0 110.201 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.17 -21.19 65.64 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.2 tp -56.41 -56.09 25.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.204 -1.174 . . . . 0.0 110.369 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' MET . . . . . 0.453 ' SD ' ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -79.37 -19.92 48.99 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.122 -0.986 . . . . 0.0 110.253 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -53.99 51.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.165 -0.959 . . . . 0.0 109.987 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' B' ' 36' ' ' HIS . 6.2 pt20 -54.26 -25.06 21.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -0.999 . . . . 0.0 109.567 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.466 ' CB ' ' CB ' ' B' ' 45' ' ' ALA . 0.1 OUTLIER -80.24 -55.37 4.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.474 -0.766 . . . . 0.0 109.777 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.421 ' HA ' ' HB3' ' B' ' 42' ' ' PHE . . . -49.83 -35.96 24.9 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.566 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.32 -36.7 71.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.424 -0.797 . . . . 0.0 109.252 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -95.47 25.54 4.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.495 -0.753 . . . . 0.0 109.667 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mp 56.06 44.99 24.46 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.572 -0.705 . . . . 0.0 110.749 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.433 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 4.3 mm-40 -128.07 18.13 6.61 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.317 -0.865 . . . . 0.0 109.954 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.52 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 7.3 p90 -60.39 -9.58 3.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.437 -0.789 . . . . 0.0 111.779 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -49.59 -68.1 0.2 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.56 -1.338 . . . . 0.0 109.298 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -81.28 -19.36 43.15 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.523 -0.736 . . . . 0.0 109.634 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.466 ' CB ' ' CB ' ' B' ' 36' ' ' HIS . . . -77.61 -54.3 6.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.386 -0.821 . . . . 0.0 111.209 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.526 ' CB ' ' CE1' ' A' ' 42' ' ' PHE . . . -44.65 -29.94 0.84 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.39 -0.819 . . . . 0.0 111.063 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -55.77 -32.9 63.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.035 -1.04 . . . . 0.0 109.738 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.426 ' CG2' HD22 ' B' ' 52' ' ' LEU . 35.4 mm -51.3 -33.18 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.228 -0.92 . . . . 0.0 109.707 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.424 ' NH2' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -48.63 -29.61 4.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.484 -0.76 . . . . 0.0 109.483 179.081 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.424 ' HA ' ' NH2' ' B' ' 49' ' ' ARG . 12.0 t70 -69.11 -40.25 78.46 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.379 -0.826 . . . . 0.0 109.213 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -80.36 -30.71 37.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.451 -0.78 . . . . 0.0 109.68 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.426 HD22 ' CG2' ' B' ' 48' ' ' ILE . 1.2 mm? -65.37 -40.54 93.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.422 -0.799 . . . . 0.0 110.181 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -74.56 -39.45 62.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 110.162 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.95 -51.83 59.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.889 . . . . 0.0 110.15 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -32.22 73.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.173 -0.954 . . . . 0.0 110.146 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.15 -47.31 86.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.3 -0.875 . . . . 0.0 110.12 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.06 -32.97 49.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.234 -0.916 . . . . 0.0 110.245 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.49 -32.88 60.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.888 . . . . 0.0 110.185 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.9 -44.82 74.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.908 . . . . 0.0 110.194 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.3 -41.3 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.202 -0.936 . . . . 0.0 110.114 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.7 -21.56 64.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.0 110.26 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.87 -58.74 1.83 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.929 . . . . 0.0 110.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.228 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' ALA . 45.8 Cg_endo . . . . . 0 N--CA 1.487 1.126 0 CA-C-O 121.174 0.406 . . . . 0.0 111.326 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 24' ' ' GLN . 0.1 OUTLIER 64.42 -69.58 0.09 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.455 -0.778 . . . . 0.0 110.889 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.18 -52.73 14.9 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.1 -1.0 . . . . 0.0 110.29 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.45 ' CD2' ' C ' ' A' ' 22' ' ' LEU . 5.3 tt -67.56 -68.6 0.37 Allowed 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.52 -0.737 . . . . 0.0 109.071 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -44.13 -29.61 0.64 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.712 -0.617 . . . . 0.0 111.049 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 14.1 tm0? -80.2 -31.7 38.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.1 -1.0 . . . . 0.0 110.075 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -72.97 -49.67 27.77 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.338 -0.851 . . . . 0.0 110.21 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.434 ' CD1' HD22 ' A' ' 22' ' ' LEU . 73.6 mt -60.08 -45.65 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -58.88 -23.02 60.49 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.304 -0.872 . . . . 0.0 110.38 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.11 -34.13 38.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.173 -0.955 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.3 mt -78.57 -38.85 39.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 0.0 110.204 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' N ' HD22 ' A' ' 52' ' ' LEU . 1.6 tt0 -55.74 -45.14 78.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 0.0 110.195 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.28 -28.28 72.82 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 tp -58.33 -41.99 85.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.201 -1.176 . . . . 0.0 110.166 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.49 ' HE2' ' CZ ' ' B' ' 42' ' ' PHE . 7.7 mtp -56.49 -42.87 79.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.233 -0.917 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.422 ' CE ' ' O ' ' B' ' 38' ' ' GLN . 0.3 OUTLIER -51.16 -37.37 45.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.274 -0.891 . . . . 0.0 110.648 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -78.15 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.923 . . . . 0.0 110.612 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.475 ' CB ' ' CB ' ' A' ' 45' ' ' ALA . 5.0 m170 -54.71 -52.5 62.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.316 -0.865 . . . . 0.0 110.91 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 42' ' ' PHE . . . -46.49 -30.67 2.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.232 -0.918 . . . . 0.0 110.254 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.421 ' O ' ' CE ' ' B' ' 34' ' ' MET . 18.5 mt-30 -80.03 -34.49 38.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.345 -0.847 . . . . 0.0 109.426 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -95.52 25.09 4.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.37 -0.831 . . . . 0.0 109.61 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mp 54.34 29.0 10.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.571 -0.706 . . . . 0.0 110.583 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 15.0 mt-10 -107.18 18.48 21.64 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.142 -0.974 . . . . 0.0 109.952 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.533 ' CE1' ' CB ' ' B' ' 46' ' ' ALA . 5.9 p90 -61.25 -8.23 3.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.464 -0.772 . . . . 0.0 112.024 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -49.28 -67.86 0.23 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.497 -1.377 . . . . 0.0 109.357 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -81.72 -19.33 41.69 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.523 -0.736 . . . . 0.0 109.661 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.475 ' CB ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.52 -51.09 11.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.435 -0.79 . . . . 0.0 111.602 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.528 ' CB ' ' CE1' ' B' ' 42' ' ' PHE . . . -50.56 -24.21 3.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.975 -1.078 . . . . 0.0 110.399 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -53.02 -31.78 43.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.978 -1.076 . . . . 0.0 109.544 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.2 mt -53.95 -27.76 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.318 -0.864 . . . . 0.0 108.926 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -51.52 -34.79 37.76 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.583 -0.698 . . . . 0.0 109.21 178.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 10.2 t70 -66.61 -35.69 80.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.385 -0.822 . . . . 0.0 109.322 179.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.417 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 27.6 mt-30 -76.3 -38.13 56.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 109.593 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -67.49 -43.48 80.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.397 -0.814 . . . . 0.0 109.933 179.647 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -71.87 -40.22 69.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.56 -44.59 74.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.27 -0.894 . . . . 0.0 110.089 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.43 ' HB3' ' CD1' ' A' ' 26' ' ' ILE . 2.4 mt -59.94 -23.64 63.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.249 -0.907 . . . . 0.0 110.1 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -53.25 -47.94 68.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.134 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -62.89 -44.64 95.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 110.022 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.52 -22.15 42.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.312 -0.867 . . . . 0.0 110.218 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.415 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . 8.5 t80 -53.19 -45.32 68.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.0 110.176 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 84.1 mt -76.53 -35.68 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.249 -0.907 . . . . 0.0 110.14 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.16 65.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.929 . . . . 0.0 110.069 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.349 -0.844 . . . . 0.0 110.161 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' B' ' 21' ' ' ALA . 45.0 Cg_endo . . . . . 0 N--CA 1.486 1.076 0 CA-C-O 121.196 0.415 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' B' ' 24' ' ' GLN . 0.1 OUTLIER 64.4 -69.63 0.09 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.418 -0.801 . . . . 0.0 110.939 179.715 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.18 -52.7 14.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.122 -0.986 . . . . 0.0 110.29 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.448 ' C ' ' CD2' ' B' ' 22' ' ' LEU . 5.3 tt -67.53 -68.65 0.37 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.499 -0.751 . . . . 0.0 109.09 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . 0.403 ' N ' HD21 ' B' ' 22' ' ' LEU . 21.1 tt0 -43.97 -29.76 0.62 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.712 -0.618 . . . . 0.0 111.057 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' B' ' 20' ' ' LYS . 14.2 tm0? -80.17 -31.74 38.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -0.999 . . . . 0.0 110.107 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -73.02 -49.53 28.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 110.187 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.434 ' CD1' HD22 ' B' ' 22' ' ' LEU . 73.8 mt -60.06 -45.7 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.911 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -58.89 -23.01 60.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.254 -0.904 . . . . 0.0 110.366 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.06 -34.16 38.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.189 -0.944 . . . . 0.0 110.296 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 17.2 mt -78.6 -38.87 38.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 0.0 110.139 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.42 ' N ' HD22 ' B' ' 52' ' ' LEU . 1.6 tt0 -55.78 -45.16 78.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 0.0 110.207 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.14 -28.35 72.92 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 tp -58.36 -41.98 85.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.308 -1.113 . . . . 0.0 110.184 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' MET . . . . . 0.484 ' HE2' ' CZ ' ' A' ' 42' ' ' PHE . 7.7 mtp -56.38 -42.94 78.68 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.158 -0.963 . . . . 0.0 110.293 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' MET . . . . . 0.421 ' CE ' ' O ' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -51.12 -37.44 45.99 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.272 -0.893 . . . . 0.0 110.638 -179.684 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -78.06 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.164 -0.96 . . . . 0.0 110.64 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.479 ' CB ' ' CB ' ' B' ' 45' ' ' ALA . 5.0 m170 -54.75 -52.5 62.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.326 -0.859 . . . . 0.0 110.936 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.414 ' HA ' ' HB3' ' B' ' 42' ' ' PHE . . . -46.52 -30.71 2.36 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.301 -0.875 . . . . 0.0 110.341 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.422 ' O ' ' CE ' ' A' ' 34' ' ' MET . 18.6 mt-30 -79.78 -34.85 39.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.374 -0.829 . . . . 0.0 109.451 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -95.29 25.04 4.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.359 -0.838 . . . . 0.0 109.528 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mp 54.43 28.95 10.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.483 -0.761 . . . . 0.0 110.631 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -107.17 18.44 21.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.232 -0.918 . . . . 0.0 109.9 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.528 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 6.1 p90 -61.21 -8.22 3.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.367 -0.833 . . . . 0.0 111.982 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -49.29 -67.95 0.22 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.444 -1.41 . . . . 0.0 109.322 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -81.66 -19.33 41.91 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.445 -0.784 . . . . 0.0 109.69 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.479 ' CB ' ' CB ' ' B' ' 36' ' ' HIS . . . -77.56 -51.1 11.23 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.373 -0.83 . . . . 0.0 111.52 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.533 ' CB ' ' CE1' ' A' ' 42' ' ' PHE . . . -50.55 -24.22 3.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.099 -1.0 . . . . 0.0 110.434 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -52.95 -31.88 42.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.068 -1.02 . . . . 0.0 109.592 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 66.8 mt -53.85 -27.71 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.369 -0.832 . . . . 0.0 109.055 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.439 ' CZ ' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -51.65 -34.69 39.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.503 -0.748 . . . . 0.0 109.156 178.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.439 ' HA ' ' CZ ' ' B' ' 49' ' ' ARG . 10.2 t70 -66.67 -35.63 80.6 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.378 -0.826 . . . . 0.0 109.343 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.416 ' O ' ' CD1' ' B' ' 55' ' ' LEU . 27.6 mt-30 -76.2 -38.28 56.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.442 -0.786 . . . . 0.0 109.583 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.42 HD22 ' N ' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -67.49 -43.45 80.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 0.0 110.007 179.66 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -71.73 -40.33 69.49 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.384 -0.822 . . . . 0.0 110.102 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.51 -44.74 74.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.948 . . . . 0.0 109.975 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.428 ' HB3' ' CD1' ' B' ' 26' ' ' ILE . 2.4 mt -59.84 -23.74 63.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.248 -0.907 . . . . 0.0 110.12 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -53.17 -47.85 68.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.284 -0.885 . . . . 0.0 110.141 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -63.12 -44.46 95.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.228 -0.92 . . . . 0.0 109.944 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -22.17 43.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.356 -0.84 . . . . 0.0 110.149 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . 0.42 ' HA ' ' CD1' ' B' ' 22' ' ' LEU . 8.5 t80 -53.24 -45.25 68.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.344 -0.848 . . . . 0.0 110.198 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 84.1 mt -76.61 -35.62 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.183 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.63 -24.35 65.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.224 -0.923 . . . . 0.0 110.131 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.47 -73.66 0.47 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.283 -0.886 . . . . 0.0 110.223 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.164 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' ALA . 46.8 Cg_endo . . . . . 0 C--O 1.214 -0.71 0 CA-C-O 120.934 0.306 . . . . 0.0 111.667 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? 64.39 -67.69 0.11 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.284 -0.885 . . . . 0.0 111.512 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.25 -47.09 18.13 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.113 -0.992 . . . . 0.0 110.914 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 9.3 mp -80.5 -41.32 24.5 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.891 . . . . 0.0 109.316 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -51.72 -45.47 63.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.715 -0.615 . . . . 0.0 110.318 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -73.94 -47.2 39.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.221 -0.925 . . . . 0.0 110.227 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -58.25 -44.28 88.24 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.246 -0.909 . . . . 0.0 110.243 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.77 -54.34 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.174 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -25.35 64.07 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.294 -0.879 . . . . 0.0 110.221 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -79.98 -50.06 10.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.24 -0.913 . . . . 0.0 110.214 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.423 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . 4.8 mp -63.36 -34.82 78.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 0.0 110.217 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.11 -40.37 85.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -0.885 . . . . 0.0 110.201 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.45 -30.32 53.95 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 tp -64.81 -28.97 69.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.223 -1.163 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -60.28 3.83 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.239 -0.913 . . . . 0.0 110.292 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.5 mtp -58.23 -31.34 67.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.308 -0.87 . . . . 0.0 110.423 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.93 -76.06 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.316 -0.865 . . . . 0.0 110.424 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.463 ' CE1' ' OE1' ' A' ' 44' ' ' GLU . 17.1 m170 -56.42 -48.64 76.57 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.163 -0.961 . . . . 0.0 110.324 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.24 -39.77 31.51 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.177 -0.952 . . . . 0.0 109.9 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -64.03 -33.63 76.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 0.0 109.34 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -91.57 17.55 8.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.403 -0.811 . . . . 0.0 109.663 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mp 55.91 24.26 7.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.462 -0.774 . . . . 0.0 110.963 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -44.5 73.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.125 -0.984 . . . . 0.0 108.89 178.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.541 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 4.5 m-85 48.86 -177.58 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.721 -0.612 . . . . 0.0 111.328 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 36.3 tt0 65.87 -63.41 0.22 Allowed 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.793 0.806 . . . . 0.0 109.043 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 14.7 pt-20 -82.58 -30.63 29.47 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 121.374 0.607 . . . . 0.0 109.727 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -81.01 -46.65 14.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 111.146 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.529 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -74.88 -19.42 60.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.166 -0.959 . . . . 0.0 111.001 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 28.3 mt-30 -72.18 -38.32 69.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.962 -1.086 . . . . 0.0 110.012 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.6 mm -50.1 -28.49 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.155 -0.965 . . . . 0.0 109.833 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -54.43 -24.7 21.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.42 -0.8 . . . . 0.0 109.26 179.202 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 26.1 t70 -78.27 -33.34 49.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.836 . . . . 0.0 109.832 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.41 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 26.8 mt-30 -78.18 -41.04 35.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.386 -0.821 . . . . 0.0 109.912 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.423 ' CD2' ' HB3' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.8 -40.9 98.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.343 -0.848 . . . . 0.0 110.105 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -72.18 -42.4 65.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.851 . . . . 0.0 110.138 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -66.19 -37.47 85.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 110.152 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.41 ' CD1' ' O ' ' A' ' 51' ' ' GLN . 0.1 OUTLIER -64.83 -21.74 66.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.324 -0.86 . . . . 0.0 110.226 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -60.47 -64.12 1.06 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 110.151 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -54.77 -23.76 19.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.257 -0.902 . . . . 0.0 110.155 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -20.12 65.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.356 -0.84 . . . . 0.0 110.227 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 17.3 t80 -52.62 -39.97 62.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.232 -0.918 . . . . 0.0 110.231 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mt -75.09 -44.51 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -0.89 . . . . 0.0 110.171 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.53 -24.35 65.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.3 -0.875 . . . . 0.0 110.199 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.306 -0.871 . . . . 0.0 110.139 -179.933 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.421 ' HG2' ' HB2' ' B' ' 22' ' ' LEU . 47.1 Cg_endo . . . . . 0 C--O 1.213 -0.727 0 CA-C-O 120.998 0.333 . . . . 0.0 111.711 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? 64.4 -67.75 0.11 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.198 -0.939 . . . . 0.0 111.498 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.3 -47.02 18.39 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.113 -0.992 . . . . 0.0 110.956 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 9.3 mp -80.48 -41.24 24.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.295 -0.878 . . . . 0.0 109.35 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -51.73 -45.54 63.66 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.686 -0.634 . . . . 0.0 110.281 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -73.88 -47.26 39.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 110.193 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -58.19 -44.35 88.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.227 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.81 -54.24 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 0.0 110.167 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.39 -25.33 64.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.248 -0.907 . . . . 0.0 110.188 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -80.01 -49.99 11.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.223 -0.923 . . . . 0.0 110.24 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.421 ' HB3' ' CD2' ' B' ' 52' ' ' LEU . 4.7 mp -63.41 -34.71 78.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.868 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.2 -40.4 85.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.243 -0.911 . . . . 0.0 110.193 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.42 -30.29 54.13 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 tp -64.81 -29.1 70.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -1.154 . . . . 0.0 110.255 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' MET . . . . . 0.402 ' HG3' ' HB ' ' B' ' 48' ' ' ILE . 0.0 OUTLIER -62.09 -60.36 3.72 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.285 -0.884 . . . . 0.0 110.281 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 6.5 mtp -58.2 -31.26 67.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.297 -0.877 . . . . 0.0 110.418 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -75.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.24 -0.913 . . . . 0.0 110.433 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.465 ' CE1' ' OE1' ' B' ' 44' ' ' GLU . 17.2 m170 -56.33 -48.75 76.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.143 -0.973 . . . . 0.0 110.378 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.22 -39.88 31.56 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.149 -0.969 . . . . 0.0 109.913 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -63.86 -33.57 75.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 109.402 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -91.68 17.65 8.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.421 -0.799 . . . . 0.0 109.735 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mp 55.96 24.16 7.38 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.448 -0.782 . . . . 0.0 110.925 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.63 -44.48 74.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.116 -0.99 . . . . 0.0 108.88 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.529 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 4.3 m-85 48.86 -177.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.771 -0.58 . . . . 0.0 111.263 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 36.4 tt0 65.97 -63.47 0.23 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 121.766 0.793 . . . . 0.0 109.044 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.465 ' OE1' ' CE1' ' B' ' 36' ' ' HIS . 14.7 pt-20 -82.64 -30.53 29.3 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-O 121.361 0.6 . . . . 0.0 109.727 178.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.99 -46.53 14.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.336 -0.852 . . . . 0.0 111.113 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.541 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -75.03 -19.54 59.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.95 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 28.3 mt-30 -72.05 -38.39 69.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.902 -1.124 . . . . 0.0 110.052 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.402 ' HB ' ' HG3' ' B' ' 33' ' ' MET . 35.3 mm -50.13 -28.44 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.135 -0.978 . . . . 0.0 109.849 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.439 ' CZ ' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -54.49 -24.61 21.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.424 -0.798 . . . . 0.0 109.298 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.439 ' HA ' ' CZ ' ' B' ' 49' ' ' ARG . 26.1 t70 -78.33 -33.31 49.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.78 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.416 ' O ' ' CD1' ' B' ' 55' ' ' LEU . 26.7 mt-30 -78.17 -41.0 36.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.344 -0.847 . . . . 0.0 109.985 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -62.91 -40.87 98.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.361 -0.837 . . . . 0.0 110.022 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -72.24 -42.36 65.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.306 -0.872 . . . . 0.0 110.177 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -66.15 -37.55 85.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.293 -0.879 . . . . 0.0 110.153 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' B' ' 51' ' ' GLN . 0.1 OUTLIER -64.82 -21.8 66.86 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.223 -0.923 . . . . 0.0 110.169 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -60.31 -64.2 1.03 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 0.0 110.202 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -54.74 -23.74 19.15 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.0 110.146 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -20.1 65.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -0.887 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . 0.419 ' C ' ' CD1' ' B' ' 59' ' ' PHE . 17.2 t80 -52.55 -39.97 62.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.175 -0.953 . . . . 0.0 110.314 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mt -75.1 -44.49 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.256 -0.903 . . . . 0.0 110.138 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.65 -24.35 65.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.208 -0.932 . . . . 0.0 110.176 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.96 -62.83 1.23 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.249 -0.907 . . . . 0.0 110.266 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.228 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HG2' HD11 ' A' ' 22' ' ' LEU . 46.5 Cg_endo . . . . . 0 C--O 1.214 -0.692 0 CA-C-O 120.955 0.314 . . . . 0.0 111.633 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.39 -67.35 0.11 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.285 -0.884 . . . . 0.0 111.515 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.36 -45.73 17.88 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.114 -0.991 . . . . 0.0 110.927 -179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 9.7 mp -80.67 -41.62 23.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -0.926 . . . . 0.0 109.382 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -50.99 -49.06 61.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.652 -0.655 . . . . 0.0 110.471 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 31.9 tp60 -74.28 -30.46 62.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -70.61 -45.38 65.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.22 -0.925 . . . . 0.0 110.242 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.88 -45.22 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.327 -0.858 . . . . 0.0 110.262 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -67.03 -23.13 65.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.233 -0.917 . . . . 0.0 110.293 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 3.1 mm-40 -80.07 -38.02 32.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 110.308 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -77.07 -36.66 55.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 0.0 110.23 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.423 ' HG2' ' CD2' ' B' ' 40' ' ' LEU . 1.2 tm-20 -54.14 -46.66 72.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.16 -0.963 . . . . 0.0 110.2 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.1 -29.25 72.28 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.83 -40.04 91.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -1.09 . . . . 0.0 110.176 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.0 mtp -51.66 -36.92 48.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.284 -0.885 . . . . 0.0 110.477 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.9 ttm -80.26 -30.89 38.48 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.153 -0.967 . . . . 0.0 110.648 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.77 -81.07 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.2 -0.938 . . . . 0.0 110.874 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -56.59 -33.38 66.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.07 -1.019 . . . . 0.0 110.304 -179.764 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.428 ' N ' ' HB3' ' A' ' 42' ' ' PHE . . . -50.84 -39.82 54.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.116 -0.99 . . . . 0.0 110.112 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -58.89 -40.59 84.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.358 -0.839 . . . . 0.0 110.113 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -90.64 17.46 7.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.266 -0.896 . . . . 0.0 110.222 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.409 ' CD2' ' HG2' ' B' ' 30' ' ' GLU . 1.6 mp 55.0 21.59 3.85 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.28 -0.888 . . . . 0.0 110.532 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -108.76 21.36 17.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.304 -0.873 . . . . 0.0 109.706 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.571 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -78.29 23.08 0.3 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.233 -0.917 . . . . 0.0 113.415 -178.674 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HB2' ' CD ' ' B' ' 49' ' ' ARG . 50.5 tt0 -52.93 -57.07 11.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.625 -1.297 . . . . 0.0 107.868 178.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 8.4 pt-20 -81.55 -24.7 36.4 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.571 ' CB ' ' HA ' ' A' ' 42' ' ' PHE . . . -69.23 -50.95 42.52 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.225 -0.922 . . . . 0.0 110.735 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.498 ' HA ' ' CZ ' ' B' ' 42' ' ' PHE . . . -55.99 -27.23 51.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.113 -0.992 . . . . 0.0 110.354 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -56.8 -30.49 63.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.06 -1.025 . . . . 0.0 109.44 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.35 -27.37 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.261 -0.9 . . . . 0.0 109.451 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.443 ' CD ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -53.49 -27.06 23.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.492 -0.755 . . . . 0.0 109.295 179.249 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 9.9 t0 -76.3 -33.98 59.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 0.0 109.819 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -78.95 -30.84 44.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.311 -0.868 . . . . 0.0 109.894 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -41.2 97.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.424 -0.797 . . . . 0.0 110.212 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 11.9 t-80 -80.19 -26.16 39.35 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.339 -0.85 . . . . 0.0 110.335 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -80.84 -34.78 33.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.034 -1.041 . . . . 0.0 110.479 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -26.52 67.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.258 -0.901 . . . . 0.0 111.157 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -60.98 -24.51 66.17 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.984 -1.073 . . . . 0.0 110.36 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.85 -38.63 61.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.202 -0.936 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -19.81 20.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.325 -0.859 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -48.25 -42.34 30.17 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.256 -0.903 . . . . 0.0 110.551 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.7 mt -75.11 -33.74 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.0 110.249 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.21 -19.06 58.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.226 -0.921 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 110.25 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' B' ' 21' ' ' ALA . 46.7 Cg_endo . . . . . 0 C--O 1.214 -0.7 0 CA-C-O 120.936 0.307 . . . . 0.0 111.608 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.55 -67.43 0.11 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.262 -0.899 . . . . 0.0 111.479 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.28 -45.76 17.48 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.156 -0.965 . . . . 0.0 110.992 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.482 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 9.6 mp -80.7 -41.5 23.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 0.0 109.396 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -51.08 -49.03 61.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.732 -0.605 . . . . 0.0 110.423 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.42 ' O ' ' CG ' ' B' ' 28' ' ' GLU . 31.9 tp60 -74.36 -30.44 62.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.277 -0.89 . . . . 0.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -70.63 -45.34 65.37 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.174 -0.953 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 77.5 mt -69.76 -45.28 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 0.0 110.327 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -66.96 -23.15 65.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.169 -0.957 . . . . 0.0 110.335 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' B' ' 24' ' ' GLN . 3.2 mm-40 -80.09 -37.91 32.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.202 -0.936 . . . . 0.0 110.308 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 mp -77.1 -36.81 55.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.11 -0.994 . . . . 0.0 110.13 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.412 ' N ' HD22 ' B' ' 52' ' ' LEU . 1.2 tm-20 -54.02 -46.78 71.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.258 -0.901 . . . . 0.0 110.174 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.95 -29.33 72.48 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.86 -39.96 91.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.37 -1.076 . . . . 0.0 110.138 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 20.9 mtp -51.67 -36.97 48.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.33 -0.856 . . . . 0.0 110.418 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.9 ttm -80.24 -30.8 38.56 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.194 -0.941 . . . . 0.0 110.707 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -81.16 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.289 -0.882 . . . . 0.0 110.807 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -33.53 65.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.996 -1.065 . . . . 0.0 110.321 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.436 ' N ' ' HB3' ' B' ' 42' ' ' PHE . . . -50.72 -39.88 52.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.205 -0.935 . . . . 0.0 110.097 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -58.95 -40.48 84.85 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.39 -0.818 . . . . 0.0 110.065 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -90.75 17.44 7.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.291 -0.881 . . . . 0.0 110.196 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.423 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 1.6 mp 55.12 21.61 4.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.172 -0.955 . . . . 0.0 110.459 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -108.74 21.36 17.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.252 -0.905 . . . . 0.0 109.652 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.573 ' HA ' ' CB ' ' B' ' 45' ' ' ALA . 0.0 OUTLIER -78.35 23.21 0.3 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.254 -0.903 . . . . 0.0 113.369 -178.67 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.443 ' HB2' ' CD ' ' A' ' 49' ' ' ARG . 51.1 tt0 -52.89 -57.14 11.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.58 -1.325 . . . . 0.0 107.87 177.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 8.4 pt-20 -81.57 -24.68 36.36 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.573 ' CB ' ' HA ' ' B' ' 42' ' ' PHE . . . -69.27 -50.85 43.15 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.178 -0.951 . . . . 0.0 110.801 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.495 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . . . -56.08 -27.15 52.43 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.134 -0.979 . . . . 0.0 110.349 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -56.84 -30.45 63.79 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.026 -1.046 . . . . 0.0 109.437 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.43 -27.22 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.324 -0.86 . . . . 0.0 109.491 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -53.63 -26.91 24.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.515 -0.741 . . . . 0.0 109.334 179.261 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' B' ' 49' ' ' ARG . 9.9 t0 -76.38 -33.98 58.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.357 -0.839 . . . . 0.0 109.845 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -78.91 -30.9 45.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.291 -0.881 . . . . 0.0 109.912 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.412 HD22 ' N ' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -63.84 -41.27 97.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.339 -0.851 . . . . 0.0 110.117 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 12.0 t-80 -80.09 -26.24 39.66 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 110.424 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -80.69 -34.88 34.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 110.51 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -26.46 67.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.23 -0.919 . . . . 0.0 111.102 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 53' ' ' HIS . 0.1 OUTLIER -61.05 -24.5 66.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.067 -1.021 . . . . 0.0 110.367 -179.634 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.76 -38.65 62.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 110.086 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -19.79 20.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.262 -0.899 . . . . 0.0 110.379 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -48.27 -42.32 30.34 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.225 -0.922 . . . . 0.0 110.624 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 53.2 mt -75.19 -33.73 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.168 -0.957 . . . . 0.0 110.165 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.2 -19.01 58.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.244 -0.91 . . . . 0.0 110.317 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.38 -55.95 2.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.221 -0.925 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.172 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HG2' ' HB3' ' A' ' 22' ' ' LEU . 50.5 Cg_endo . . . . . 0 N--CA 1.487 1.129 0 CA-C-O 121.022 0.342 . . . . 0.0 111.686 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.65 -66.68 0.15 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.184 -0.947 . . . . 0.0 111.114 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -51.13 -62.86 1.36 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.988 -1.07 . . . . 0.0 110.364 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.473 ' CD1' ' CD1' ' A' ' 26' ' ' ILE . 2.7 tp -62.3 -56.97 13.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.365 -0.834 . . . . 0.0 109.51 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -48.23 -42.53 30.53 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.312 -0.867 . . . . 0.0 110.451 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.06 -36.58 84.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.244 -0.91 . . . . 0.0 109.854 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -48.67 59.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.316 -0.865 . . . . 0.0 109.992 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.473 ' CD1' ' CD1' ' A' ' 22' ' ' LEU . 41.8 mt -52.86 -56.53 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.908 . . . . 0.0 110.079 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -55.16 -22.42 17.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 110.118 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -37.42 34.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.101 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.411 ' CB ' ' CD2' ' A' ' 52' ' ' LEU . 26.7 mt -77.16 -41.53 41.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 110.043 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' N ' HD22 ' A' ' 52' ' ' LEU . 1.2 tm-20 -62.77 -44.88 95.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.284 -0.885 . . . . 0.0 109.913 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.82 -34.7 90.65 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tp -65.64 -34.1 77.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.224 -1.162 . . . . 0.0 109.934 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.489 ' HE2' ' CZ ' ' B' ' 42' ' ' PHE . 1.6 mtp -59.67 -61.16 2.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.306 -0.871 . . . . 0.0 110.165 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 mtt -47.49 -42.03 22.08 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.389 -0.819 . . . . 0.0 110.779 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.76 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.167 -0.958 . . . . 0.0 110.224 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.475 ' CB ' ' CB ' ' A' ' 45' ' ' ALA . 72.1 m80 -51.36 -51.96 49.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.341 -0.849 . . . . 0.0 110.609 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.35 -32.5 7.57 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.278 -0.889 . . . . 0.0 110.122 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -75.16 -36.24 61.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -94.78 23.96 5.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.457 -0.777 . . . . 0.0 109.727 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 5.0 mp 55.73 30.56 15.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.425 -0.797 . . . . 0.0 110.654 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 13.2 mm-40 -109.25 17.65 21.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.177 -0.952 . . . . 0.0 110.04 179.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.535 ' CE1' ' CB ' ' B' ' 46' ' ' ALA . 5.0 p90 -61.82 -7.58 3.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.396 -0.815 . . . . 0.0 112.044 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -50.33 -67.77 0.23 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.501 -1.374 . . . . 0.0 109.204 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 2.2 pt-20 -81.54 -19.57 41.81 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.578 -0.701 . . . . 0.0 109.725 178.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.475 ' CB ' ' CB ' ' A' ' 36' ' ' HIS . . . -76.84 -50.22 13.92 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.404 -0.81 . . . . 0.0 111.224 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.542 ' CB ' ' CE1' ' B' ' 42' ' ' PHE . . . -50.24 -25.79 4.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.103 -0.998 . . . . 0.0 110.401 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -50.96 -25.66 4.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.005 -1.06 . . . . 0.0 109.756 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mt -65.0 -29.08 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.441 -0.787 . . . . 0.0 109.749 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -48.66 -28.01 3.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.307 -0.871 . . . . 0.0 110.267 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.14 -45.17 23.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.397 -0.814 . . . . 0.0 109.712 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.419 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 15.9 mt-30 -68.22 -37.11 80.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.3 -0.875 . . . . 0.0 109.851 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -62.4 -41.95 99.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.342 -0.849 . . . . 0.0 110.114 179.798 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -69.91 -48.27 59.25 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.316 -0.865 . . . . 0.0 110.193 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.66 -44.73 96.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.201 -0.937 . . . . 0.0 110.217 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.419 ' CD1' ' O ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -62.84 -28.48 70.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -0.888 . . . . 0.0 110.195 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -56.58 -60.45 3.52 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.283 -0.886 . . . . 0.0 110.16 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.7 pt-20 -59.57 -22.87 62.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.897 . . . . 0.0 110.106 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 2.8 mt -72.4 -19.95 61.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 0.0 110.307 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.33 -45.62 65.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.0 mt -73.39 -36.23 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.2 -0.938 . . . . 0.0 110.177 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.97 -20.29 61.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.0 110.274 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 110.197 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' B' ' 21' ' ' ALA . 50.1 Cg_endo . . . . . 0 N--CA 1.487 1.104 0 CA-C-O 121.026 0.344 . . . . 0.0 111.649 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.67 -66.8 0.15 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.17 -0.956 . . . . 0.0 111.019 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -51.1 -62.8 1.39 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.067 -1.021 . . . . 0.0 110.334 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.463 ' CD1' ' CD1' ' B' ' 26' ' ' ILE . 2.6 tp -62.35 -57.01 12.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.862 . . . . 0.0 109.516 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -48.16 -42.51 29.77 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.346 -0.846 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.03 -36.75 85.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.207 -0.933 . . . . 0.0 109.8 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -48.72 59.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.34 -0.85 . . . . 0.0 109.938 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.463 ' CD1' ' CD1' ' B' ' 22' ' ' LEU . 41.6 mt -52.8 -56.48 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 110.089 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -55.26 -22.32 17.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 110.118 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.88 -37.37 34.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.215 -0.928 . . . . 0.0 110.162 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.415 ' CB ' ' CD2' ' B' ' 52' ' ' LEU . 26.8 mt -77.24 -41.58 40.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.027 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.421 ' N ' HD22 ' B' ' 52' ' ' LEU . 1.2 tm-20 -62.7 -44.81 95.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -0.885 . . . . 0.0 109.968 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.96 -34.67 90.55 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tp -65.62 -34.04 77.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.313 -1.11 . . . . 0.0 109.949 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' MET . . . . . 0.484 ' HE2' ' CZ ' ' A' ' 42' ' ' PHE . 1.6 mtp -59.74 -61.17 2.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.348 -0.845 . . . . 0.0 110.123 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mtt -47.44 -42.02 21.59 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.372 -0.83 . . . . 0.0 110.878 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.72 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.281 -0.887 . . . . 0.0 110.178 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.471 ' CB ' ' CB ' ' B' ' 45' ' ' ALA . 71.8 m80 -51.3 -52.07 48.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.386 -0.821 . . . . 0.0 110.565 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.28 -32.49 7.37 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.226 -0.921 . . . . 0.0 110.097 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -75.25 -36.19 61.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -0.856 . . . . 0.0 109.492 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -94.73 23.84 5.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.501 -0.749 . . . . 0.0 109.73 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' B' ' 40' ' ' LEU . 5.0 mp 55.74 30.66 16.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.521 -0.737 . . . . 0.0 110.673 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.407 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 13.2 mm-40 -109.35 17.53 21.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.159 -0.963 . . . . 0.0 110.009 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.542 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 5.0 p90 -61.66 -7.81 3.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.443 -0.786 . . . . 0.0 112.026 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -50.21 -67.73 0.23 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.448 -1.407 . . . . 0.0 109.188 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 2.2 pt-20 -81.64 -19.46 41.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.444 -0.785 . . . . 0.0 109.684 178.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.471 ' CB ' ' CB ' ' B' ' 36' ' ' HIS . . . -76.91 -50.46 13.24 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.33 -0.856 . . . . 0.0 111.269 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.535 ' CB ' ' CE1' ' A' ' 42' ' ' PHE . . . -49.91 -26.05 3.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.114 -0.991 . . . . 0.0 110.359 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -50.75 -25.7 4.7 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.079 -1.013 . . . . 0.0 109.782 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mt -65.13 -28.97 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.471 -0.768 . . . . 0.0 109.667 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.8 OUTLIER -48.6 -28.13 3.25 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.286 -0.884 . . . . 0.0 110.257 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.21 -45.2 23.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.373 -0.83 . . . . 0.0 109.625 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.411 ' O ' ' CD1' ' B' ' 55' ' ' LEU . 16.0 mt-30 -68.18 -37.04 80.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 109.852 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.421 HD22 ' N ' ' B' ' 30' ' ' GLU . 0.5 OUTLIER -62.47 -41.92 99.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.302 -0.874 . . . . 0.0 110.108 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -69.87 -48.29 59.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 0.0 110.196 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.7 -44.77 96.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.198 -0.939 . . . . 0.0 110.128 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.411 ' CD1' ' O ' ' B' ' 51' ' ' GLN . 0.5 OUTLIER -62.78 -28.55 70.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.255 -0.903 . . . . 0.0 110.176 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -56.56 -60.42 3.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -0.911 . . . . 0.0 110.113 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.7 pt-20 -59.55 -22.98 62.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.237 -0.914 . . . . 0.0 110.068 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.421 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 2.9 mt -72.31 -19.96 61.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.26 -0.9 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.34 -45.63 65.74 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 54.8 mt -73.44 -36.27 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 110.154 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.8 -20.37 61.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.226 -0.921 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.48 -62.24 1.53 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.159 -0.963 . . . . 0.0 110.226 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.209 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.447 ' HG2' ' HB2' ' A' ' 22' ' ' LEU . 45.5 Cg_endo . . . . . 0 C--O 1.214 -0.678 0 CA-C-O 120.927 0.303 . . . . 0.0 111.649 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.14 -67.45 0.11 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.321 -0.862 . . . . 0.0 111.608 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.02 -46.34 16.5 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.175 -0.953 . . . . 0.0 110.972 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.481 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 8.7 mp -80.62 -44.87 18.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.881 . . . . 0.0 109.486 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -52.08 -38.08 56.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.684 -0.635 . . . . 0.0 110.367 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -77.67 -41.65 37.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.203 -0.935 . . . . 0.0 110.39 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -72.5 -40.23 67.04 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.249 -0.907 . . . . 0.0 110.282 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 22' ' ' LEU . 85.7 mt -66.56 -42.91 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.887 . . . . 0.0 110.31 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -76.88 -20.04 56.73 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 110.39 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 16.2 mm-40 -79.07 -53.49 6.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.185 -0.947 . . . . 0.0 110.328 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.2 mt -64.02 -27.64 69.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.222 -0.924 . . . . 0.0 110.282 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.44 -35.36 80.66 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.241 -0.912 . . . . 0.0 110.287 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.79 -23.3 69.98 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.64 -28.75 67.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.138 -1.213 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.0 mtp -61.44 -64.59 0.9 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.197 -0.94 . . . . 0.0 110.275 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.7 tpp -60.53 -31.4 70.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.271 -0.893 . . . . 0.0 110.297 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -76.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.229 -0.92 . . . . 0.0 110.274 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.47 ' CE1' ' OE1' ' A' ' 44' ' ' GLU . 19.9 m170 -59.53 -44.19 93.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 110.249 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.17 -39.11 27.92 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.103 -0.998 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -35.51 74.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.336 -0.853 . . . . 0.0 109.402 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.39 17.9 7.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.387 -0.82 . . . . 0.0 109.703 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 7.2 mp 55.03 23.93 5.58 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.402 -0.811 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -66.83 -44.22 81.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.984 . . . . 0.0 108.986 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 6.3 m-85 48.2 -175.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.634 -0.667 . . . . 0.0 111.198 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.492 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 31.4 tt0 65.94 -63.27 0.23 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.717 0.77 . . . . 0.0 109.027 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.47 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 15.8 pt-20 -82.67 -33.28 27.77 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.301 0.572 . . . . 0.0 109.921 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -81.12 -43.25 19.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.31 -0.868 . . . . 0.0 111.476 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.53 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -78.0 -26.17 48.41 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.09 -1.006 . . . . 0.0 111.367 -178.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 7.4 mm100 -65.1 -32.81 74.7 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.907 -1.121 . . . . 0.0 109.855 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.6 mm -51.97 -28.38 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.218 -0.926 . . . . 0.0 109.772 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -54.7 -27.58 41.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.375 -0.828 . . . . 0.0 109.365 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 14.0 t0 -77.87 -34.09 51.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 0.0 109.931 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -80.06 -40.03 28.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 110.068 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -44.05 94.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.249 -0.907 . . . . 0.0 110.145 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -66.69 -40.03 88.33 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 110.145 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.66 -42.08 82.75 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.12 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -22.08 64.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.212 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -56.43 -51.21 69.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.29 -0.881 . . . . 0.0 110.214 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.18 -35.3 76.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.24 -0.913 . . . . 0.0 110.244 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -24.06 42.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.206 -0.934 . . . . 0.0 110.219 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.403 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 21.6 t80 -54.05 -31.68 52.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 0.0 110.151 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mt -79.95 -28.97 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.0 110.254 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.65 -21.64 64.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.202 -0.936 . . . . 0.0 110.22 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 110.246 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.448 ' HG2' ' HB2' ' B' ' 22' ' ' LEU . 45.5 Cg_endo . . . . . 0 C--O 1.214 -0.711 0 CA-C-O 121.05 0.354 . . . . 0.0 111.677 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 -67.56 0.1 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.251 -0.906 . . . . 0.0 111.632 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.97 -46.45 16.32 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.168 -0.957 . . . . 0.0 110.914 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 8.7 mp -80.44 -44.99 18.36 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.23 -0.919 . . . . 0.0 109.526 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -52.05 -38.05 55.73 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.648 -0.658 . . . . 0.0 110.381 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' B' ' 28' ' ' GLU . 0.0 OUTLIER -77.75 -41.68 36.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.183 -0.948 . . . . 0.0 110.297 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -72.47 -40.26 67.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.164 -0.96 . . . . 0.0 110.305 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.427 ' CD1' ' HB3' ' B' ' 22' ' ' LEU . 86.0 mt -66.53 -42.96 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.208 -0.933 . . . . 0.0 110.314 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -76.79 -20.05 56.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 110.427 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' B' ' 24' ' ' GLN . 16.0 mm-40 -79.23 -53.38 7.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.912 . . . . 0.0 110.31 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.03 -27.61 69.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.353 -0.842 . . . . 0.0 110.38 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.36 -35.35 80.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.154 -0.966 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.9 -23.17 70.01 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.75 -28.81 67.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.198 -1.178 . . . . 0.0 110.3 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 5.0 mtp -61.3 -64.72 0.86 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.258 -0.901 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 41.6 tpp -60.41 -31.39 70.34 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 110.313 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -76.9 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.181 -0.949 . . . . 0.0 110.304 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.466 ' CE1' ' OE1' ' B' ' 44' ' ' GLU . 20.1 m170 -59.59 -44.11 93.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.148 -0.97 . . . . 0.0 110.31 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.23 -39.12 28.79 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.177 -0.952 . . . . 0.0 110.014 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -35.44 74.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.952 . . . . 0.0 109.395 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.41 17.99 7.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.482 -0.761 . . . . 0.0 109.713 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' B' ' 40' ' ' LEU . 7.2 mp 54.94 23.92 5.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.388 -0.82 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -66.75 -44.18 82.17 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.235 -0.916 . . . . 0.0 109.084 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.53 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 6.4 m-85 48.21 -175.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.745 -0.597 . . . . 0.0 111.241 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.481 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 31.5 tt0 65.88 -63.23 0.23 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.769 0.795 . . . . 0.0 109.083 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.466 ' OE1' ' CE1' ' B' ' 36' ' ' HIS . 15.8 pt-20 -82.86 -33.16 27.13 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 121.755 -0.591 . . . . 0.0 109.916 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -81.11 -43.12 19.9 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.282 -0.887 . . . . 0.0 111.458 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.54 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -78.06 -26.4 48.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.121 -0.987 . . . . 0.0 111.364 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 7.4 mm100 -64.99 -32.73 74.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.871 -1.143 . . . . 0.0 109.894 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 38.5 mm -52.11 -28.35 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.224 -0.923 . . . . 0.0 109.712 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.437 ' CZ ' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -54.63 -27.66 41.23 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.495 -0.753 . . . . 0.0 109.358 179.262 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.437 ' HA ' ' CZ ' ' B' ' 49' ' ' ARG . 13.9 t0 -77.83 -34.06 52.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.287 -0.883 . . . . 0.0 109.944 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -80.05 -40.05 28.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 110.051 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -44.1 94.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.236 -0.915 . . . . 0.0 110.092 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -66.72 -39.95 88.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.278 -0.889 . . . . 0.0 110.112 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.76 -41.96 82.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 110.15 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.41 -22.07 64.64 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.933 . . . . 0.0 110.109 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -56.47 -51.13 69.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.301 -0.874 . . . . 0.0 110.212 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.23 -35.32 76.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.925 . . . . 0.0 110.198 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -24.04 42.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.15 -0.968 . . . . 0.0 110.205 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -54.04 -31.69 52.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.252 -0.905 . . . . 0.0 110.172 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mt -80.06 -28.93 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.3 -0.875 . . . . 0.0 110.168 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.62 -21.6 64.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 0.0 110.282 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.67 -64.2 1.12 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.209 -0.932 . . . . 0.0 110.194 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.16 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 21' ' ' ALA . 50.3 Cg_endo . . . . . 0 C--O 1.215 -0.635 0 CA-C-O 120.888 0.287 . . . . 0.0 111.543 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.11 -66.33 0.17 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.082 -1.011 . . . . 0.0 110.85 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.73 -51.38 22.27 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.2 -0.937 . . . . 0.0 110.373 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.472 ' CD1' ' CD1' ' A' ' 26' ' ' ILE . 3.6 tp -68.8 -58.03 4.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.377 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -46.39 -53.32 11.21 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.485 -0.76 . . . . 0.0 110.602 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -34.29 70.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.295 -0.878 . . . . 0.0 110.222 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -69.72 -52.1 28.51 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.239 -0.913 . . . . 0.0 110.136 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.472 ' CD1' ' CD1' ' A' ' 22' ' ' LEU . 43.5 mt -53.46 -55.91 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.265 -0.897 . . . . 0.0 110.238 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.87 -24.13 61.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.09 -50.01 15.88 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.296 -0.878 . . . . 0.0 110.251 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.68 -38.96 77.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.236 -0.915 . . . . 0.0 110.209 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.49 -50.36 73.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.246 -0.909 . . . . 0.0 110.234 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.8 -34.35 88.39 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.45 -26.57 60.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.282 -1.128 . . . . 0.0 110.21 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.418 ' HE2' ' CD2' ' B' ' 40' ' ' LEU . 6.6 tmm? -79.83 -27.2 40.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.26 -0.9 . . . . 0.0 110.308 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 mmt -78.3 -48.8 14.9 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.085 -1.009 . . . . 0.0 110.462 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.416 ' HG3' ' ND1' ' A' ' 36' ' ' HIS . 4.3 pt20 -51.66 -33.2 32.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.196 -0.94 . . . . 0.0 110.468 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.47 ' CD2' ' OE2' ' A' ' 44' ' ' GLU . 4.9 m-70 -76.65 -63.66 1.29 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.263 -0.898 . . . . 0.0 110.14 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.82 -36.41 11.8 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.265 -0.897 . . . . 0.0 109.982 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -70.71 -34.14 71.61 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.415 -0.803 . . . . 0.0 109.461 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -92.77 20.33 6.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.452 -0.78 . . . . 0.0 109.67 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.32 24.38 11.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.414 -0.804 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.437 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 2.1 mm-40 -70.0 -49.25 53.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.168 -0.958 . . . . 0.0 108.999 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.525 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 4.3 m-85 48.97 -177.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.562 -0.712 . . . . 0.0 111.109 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 28.0 tt0 66.04 -62.66 0.25 Allowed 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.724 0.773 . . . . 0.0 109.156 -178.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.47 ' OE2' ' CD2' ' A' ' 36' ' ' HIS . 24.9 pt-20 -82.43 -29.54 30.66 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.729 -0.607 . . . . 0.0 109.744 178.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -80.51 -47.52 14.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -0.851 . . . . 0.0 111.15 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.532 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -68.93 -19.85 64.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.156 -0.965 . . . . 0.0 110.784 -178.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -79.1 -50.94 10.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.981 -1.074 . . . . 0.0 109.68 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.6 mt -51.19 -30.97 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.167 -0.958 . . . . 0.0 109.31 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.426 ' NH2' ' HB2' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -55.81 -23.87 32.73 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.426 ' HB2' ' NH2' ' A' ' 49' ' ' ARG . 9.2 t0 -79.51 -35.39 40.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.312 -0.868 . . . . 0.0 109.815 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -69.25 -41.02 77.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.324 -0.86 . . . . 0.0 109.959 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -54.8 -37.69 66.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.271 -0.893 . . . . 0.0 109.995 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.08 -55.06 20.97 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.241 -0.912 . . . . 0.0 110.026 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 2.7 mt-30 -57.71 -40.97 80.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 0.0 110.029 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -28.84 55.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 0.0 110.081 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -58.36 -63.2 1.36 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.874 . . . . 0.0 110.027 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.5 pt-20 -57.33 -23.64 50.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.912 . . . . 0.0 110.084 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -63.45 -19.76 65.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 110.329 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.42 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 17.7 t80 -48.62 -36.41 15.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.239 -0.913 . . . . 0.0 110.553 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 58.4 mt -72.89 -36.86 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.97 . . . . 0.0 110.104 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.91 -20.37 61.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -0.906 . . . . 0.0 110.14 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.218 -0.926 . . . . 0.0 110.226 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' B' ' 21' ' ' ALA . 50.2 Cg_endo . . . . . 0 C--O 1.214 -0.684 0 CA-C-O 120.784 0.244 . . . . 0.0 111.518 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.14 -66.33 0.17 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.156 -0.965 . . . . 0.0 110.847 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.67 -51.49 21.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.245 -0.909 . . . . 0.0 110.359 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.469 ' CD1' ' CD1' ' B' ' 26' ' ' ILE . 3.6 tp -68.78 -57.99 4.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.413 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -46.42 -53.23 11.47 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.581 -0.7 . . . . 0.0 110.7 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -34.26 70.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.359 -0.838 . . . . 0.0 110.207 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -69.82 -51.99 28.91 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.269 -0.894 . . . . 0.0 110.148 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.469 ' CD1' ' CD1' ' B' ' 22' ' ' LEU . 43.4 mt -53.53 -55.9 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.213 -0.93 . . . . 0.0 110.239 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.83 -24.15 61.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.218 -0.926 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.17 -49.92 15.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.229 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 56.3 mt -69.73 -38.9 77.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.301 -0.874 . . . . 0.0 110.222 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.47 -50.44 73.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.225 -0.922 . . . . 0.0 110.216 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.22 88.02 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.56 -26.5 60.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.278 -1.13 . . . . 0.0 110.184 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 6.8 tmm? -79.69 -27.28 40.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 110.375 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 1.5 mmt -78.2 -48.96 14.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.183 -0.948 . . . . 0.0 110.418 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.419 ' HG3' ' ND1' ' B' ' 36' ' ' HIS . 4.3 pt20 -51.58 -33.26 31.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.17 -0.956 . . . . 0.0 110.445 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.472 ' CG ' ' OE2' ' B' ' 44' ' ' GLU . 4.9 m-70 -76.57 -63.71 1.28 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.215 -0.928 . . . . 0.0 110.151 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.78 -36.5 11.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.278 -0.889 . . . . 0.0 109.992 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -70.67 -34.12 71.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.442 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -92.86 20.42 6.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.459 -0.776 . . . . 0.0 109.641 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.418 ' CD2' ' HE2' ' A' ' 33' ' ' MET . 0.2 OUTLIER 58.28 24.39 11.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.392 -0.818 . . . . 0.0 110.93 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.43 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 2.1 mm-40 -70.04 -49.35 52.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.104 -0.998 . . . . 0.0 109.007 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.532 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 4.4 m-85 49.04 -177.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.607 -0.683 . . . . 0.0 111.089 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.495 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 28.0 tt0 66.08 -62.7 0.25 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.738 0.78 . . . . 0.0 109.151 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.472 ' OE2' ' CG ' ' B' ' 36' ' ' HIS . 24.9 pt-20 -82.4 -29.56 30.74 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.312 0.577 . . . . 0.0 109.743 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.47 -47.8 13.76 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.4 -0.813 . . . . 0.0 111.223 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.525 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -68.77 -19.88 64.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.071 -1.018 . . . . 0.0 110.784 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 43' ' ' GLU . 1.4 mp0 -78.87 -51.1 10.17 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.983 -1.073 . . . . 0.0 109.707 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.6 mt -51.04 -30.97 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.211 -0.931 . . . . 0.0 109.321 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.432 ' NH2' ' HB2' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -55.81 -23.86 32.7 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.432 ' HB2' ' NH2' ' B' ' 49' ' ' ARG . 9.2 t0 -79.43 -35.6 40.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.306 -0.871 . . . . 0.0 109.812 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -69.28 -40.96 77.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.281 -0.887 . . . . 0.0 109.922 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.416 ' CD1' HG21 ' B' ' 26' ' ' ILE . 1.0 OUTLIER -54.79 -37.65 66.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.294 -0.879 . . . . 0.0 109.978 179.795 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.23 -54.92 22.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.33 -0.856 . . . . 0.0 110.023 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' B' ' 57' ' ' GLU . 2.7 mt-30 -57.73 -41.09 81.12 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.268 -0.895 . . . . 0.0 110.002 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.02 -28.82 55.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.335 -0.853 . . . . 0.0 110.061 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -58.44 -63.08 1.4 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.27 -0.894 . . . . 0.0 110.046 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.5 pt-20 -57.5 -23.62 51.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.221 -0.924 . . . . 0.0 109.95 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 0.4 OUTLIER -63.45 -19.77 65.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.357 -0.84 . . . . 0.0 110.305 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' B' ' 59' ' ' PHE . 17.5 t80 -48.52 -36.45 15.31 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.197 -0.939 . . . . 0.0 110.568 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 58.8 mt -72.99 -36.81 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.303 -0.873 . . . . 0.0 110.031 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.82 -20.41 61.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.0 110.192 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.9 -61.21 1.53 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.178 -0.951 . . . . 0.0 110.202 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.185 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' ALA . 43.8 Cg_endo . . . . . 0 N--CA 1.486 1.042 0 CA-C-O 121.07 0.362 . . . . 0.0 111.338 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? 63.59 -70.48 0.07 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.471 -0.768 . . . . 0.0 110.863 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -53.38 -60.38 3.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.866 -1.146 . . . . 0.0 109.771 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 59' ' ' PHE . 4.0 tp -55.33 -61.16 2.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.416 -0.803 . . . . 0.0 109.215 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -49.05 -42.96 40.25 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.373 -0.83 . . . . 0.0 110.307 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -67.03 -32.89 74.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.918 . . . . 0.0 109.981 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -72.6 -48.51 39.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.323 -0.86 . . . . 0.0 110.068 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.426 ' CD1' ' CD1' ' A' ' 22' ' ' LEU . 80.0 mt -54.16 -54.45 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.207 -0.933 . . . . 0.0 109.952 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -23.8 65.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 110.033 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -79.95 -49.91 11.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.242 -0.911 . . . . 0.0 110.221 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mp -61.01 -44.68 97.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.148 -0.97 . . . . 0.0 110.123 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.8 -46.49 74.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.253 -0.904 . . . . 0.0 110.088 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.32 -30.57 73.55 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.37 -25.77 65.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.289 -1.124 . . . . 0.0 110.111 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.433 ' CE ' HD21 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -63.52 -60.5 3.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.872 . . . . 0.0 110.085 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.7 tpp -60.91 -30.99 70.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.327 -0.858 . . . . 0.0 110.173 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -76.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.331 -0.856 . . . . 0.0 110.391 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.475 ' CE1' ' OE1' ' A' ' 44' ' ' GLU . 10.6 m170 -54.87 -46.23 74.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.197 -0.94 . . . . 0.0 110.11 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.95 -41.25 61.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.194 -0.941 . . . . 0.0 109.881 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -36.17 71.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 109.38 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -91.55 18.55 7.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 0.0 109.682 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.412 HD21 ' CE ' ' B' ' 33' ' ' MET . 6.8 mp 55.27 24.27 6.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.44 -0.788 . . . . 0.0 110.772 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.72 -44.59 77.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.924 . . . . 0.0 109.118 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.523 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 9.6 m-85 49.52 -178.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.572 -0.705 . . . . 0.0 111.077 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.492 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 29.3 tt0 66.25 -62.58 0.26 Allowed 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 121.693 0.759 . . . . 0.0 109.047 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 14.7 pt-20 -82.55 -31.01 29.31 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-O 121.325 0.584 . . . . 0.0 109.751 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -80.7 -44.98 17.87 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.292 -0.88 . . . . 0.0 111.166 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.518 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -77.22 -19.63 56.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.176 -0.953 . . . . 0.0 111.113 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 8.3 mm100 -70.56 -36.62 73.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.956 -1.09 . . . . 0.0 110.001 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.0 mt -51.3 -28.67 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.268 -0.895 . . . . 0.0 109.899 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -53.64 -24.35 13.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.423 -0.798 . . . . 0.0 109.33 179.277 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 13.3 t0 -78.89 -32.53 45.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.329 -0.857 . . . . 0.0 109.802 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -80.13 -46.7 15.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.301 -0.875 . . . . 0.0 109.977 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -37.17 77.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.29 -0.881 . . . . 0.0 110.063 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.1 -51.67 67.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.887 . . . . 0.0 110.09 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -37.19 64.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -0.848 . . . . 0.0 110.102 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.86 -34.64 78.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 0.0 110.131 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -53.59 -56.8 14.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.322 -0.861 . . . . 0.0 110.062 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.48 -39.04 82.43 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.265 -0.897 . . . . 0.0 109.886 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -22.82 7.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 0.0 110.176 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.429 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 29.1 t80 -52.21 -54.19 34.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.246 -0.908 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.2 -38.61 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.196 -0.94 . . . . 0.0 110.173 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.76 -22.82 26.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.23 -0.919 . . . . 0.0 110.186 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.229 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 21' ' ' ALA . 44.0 Cg_endo . . . . . 0 N--CA 1.486 1.052 0 CA-C-O 121.023 0.343 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? 63.6 -70.52 0.07 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.47 -0.769 . . . . 0.0 110.797 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -53.26 -60.47 3.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.923 -1.111 . . . . 0.0 109.794 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.431 ' CD1' ' CD1' ' B' ' 26' ' ' ILE . 4.0 tp -55.36 -61.16 2.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.342 -0.849 . . . . 0.0 109.163 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -49.04 -42.88 39.87 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.459 -0.775 . . . . 0.0 110.321 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -67.04 -32.98 74.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.268 -0.895 . . . . 0.0 109.844 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -72.67 -48.38 39.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.327 -0.858 . . . . 0.0 110.085 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.431 ' CD1' ' CD1' ' B' ' 22' ' ' LEU . 80.1 mt -54.34 -54.33 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 0.0 109.908 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -23.7 65.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.281 -0.887 . . . . 0.0 110.007 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.04 -49.88 11.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.317 -0.864 . . . . 0.0 110.159 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mp -61.02 -44.65 97.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.92 . . . . 0.0 110.116 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.87 -46.46 74.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.293 -0.879 . . . . 0.0 110.081 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.32 -30.51 73.52 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.51 -25.69 65.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -1.12 . . . . 0.0 110.108 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' MET . . . . . 0.412 ' CE ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -63.44 -60.6 3.15 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.289 -0.882 . . . . 0.0 110.088 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 37.5 tpp -60.84 -31.03 70.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 0.0 110.143 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -76.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.268 -0.895 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.465 ' CE1' ' OE1' ' B' ' 44' ' ' GLU . 10.6 m170 -54.8 -46.35 74.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.09 -1.006 . . . . 0.0 110.06 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.86 -41.28 61.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.148 -0.97 . . . . 0.0 109.841 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -36.17 71.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.324 -0.86 . . . . 0.0 109.372 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -91.6 18.58 7.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.433 HD21 ' CE ' ' A' ' 33' ' ' MET . 6.8 mp 55.26 24.39 6.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.459 -0.776 . . . . 0.0 110.682 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.73 -44.72 76.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.307 -0.871 . . . . 0.0 109.039 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.518 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 9.6 m-85 49.47 -178.03 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.588 -0.695 . . . . 0.0 111.026 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 29.3 tt0 66.13 -62.48 0.26 Allowed 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.7 0.762 . . . . 0.0 109.091 -178.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.465 ' OE1' ' CE1' ' B' ' 36' ' ' HIS . 14.7 pt-20 -82.55 -30.98 29.32 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.368 0.604 . . . . 0.0 109.78 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.71 -45.04 17.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 0.0 111.184 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.523 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -77.23 -19.58 56.44 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.186 -0.946 . . . . 0.0 111.076 -178.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 8.3 mm100 -70.55 -36.7 73.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.86 -1.15 . . . . 0.0 110.042 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.9 mt -51.24 -28.69 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.211 -0.931 . . . . 0.0 109.881 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.43 ' CZ ' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -53.76 -24.22 14.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.427 -0.796 . . . . 0.0 109.293 179.319 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.43 ' HA ' ' CZ ' ' B' ' 49' ' ' ARG . 13.3 t0 -78.84 -32.55 46.18 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.338 -0.851 . . . . 0.0 109.943 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -80.16 -46.71 15.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.302 -0.874 . . . . 0.0 109.964 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -37.18 77.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.236 -0.915 . . . . 0.0 110.063 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -56.08 -51.62 67.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.31 -0.869 . . . . 0.0 110.066 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.13 -37.11 64.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.881 . . . . 0.0 110.075 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.86 -34.73 79.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.902 . . . . 0.0 110.1 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 ttt85 -53.56 -56.68 15.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.925 . . . . 0.0 110.129 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.62 -38.85 82.44 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.248 -0.908 . . . . 0.0 109.941 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -22.82 7.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -0.882 . . . . 0.0 110.204 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . 0.423 ' HA ' ' CD2' ' B' ' 22' ' ' LEU . 28.6 t80 -52.2 -54.28 32.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.07 -38.67 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.325 -0.859 . . . . 0.0 110.213 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.73 -22.77 25.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.273 -0.892 . . . . 0.0 110.227 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.78 -72.55 0.66 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.305 -0.872 . . . . 0.0 110.194 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.2 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' A' ' 22' ' ' LEU . 56.1 Cg_endo . . . . . 0 N--CA 1.481 0.766 0 N-CA-C 111.662 -0.169 . . . . 0.0 111.662 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 67.25 -65.62 0.22 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.954 -1.091 . . . . 0.0 110.118 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -49.39 -49.29 45.29 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.12 -0.987 . . . . 0.0 109.669 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.438 ' CB ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -66.33 -56.21 12.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.429 -0.794 . . . . 0.0 108.872 178.685 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -47.76 -51.94 20.47 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.3 0.571 . . . . 0.0 110.486 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -35.32 80.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.908 . . . . 0.0 110.213 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -66.39 -43.72 85.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.285 -0.885 . . . . 0.0 110.239 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.426 HD13 ' CD1' ' A' ' 22' ' ' LEU . 97.5 mt -69.02 -53.8 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.213 -0.929 . . . . 0.0 110.168 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -58.57 -23.04 57.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 110.16 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -65.82 0.64 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 0.0 110.156 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.419 ' CB ' HD23 ' A' ' 52' ' ' LEU . 1.5 mp -65.74 -37.35 86.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 110.15 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -46.65 89.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.183 -0.948 . . . . 0.0 109.92 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.32 -31.69 62.95 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.42 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 33.7 tp -75.8 -31.65 59.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -1.124 . . . . 0.0 109.964 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.482 ' HE3' ' CE1' ' B' ' 42' ' ' PHE . 5.2 tmm? -80.18 -26.95 39.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.412 -0.805 . . . . 0.0 110.214 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.19 -44.77 19.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.261 -0.899 . . . . 0.0 110.767 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 36' ' ' HIS . 5.0 pt20 -54.33 -36.31 63.64 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.22 -0.925 . . . . 0.0 110.643 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.428 ' ND1' ' HB1' ' A' ' 45' ' ' ALA . 40.1 m80 -80.19 -49.16 12.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.99 . . . . 0.0 110.237 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' N ' ' HB3' ' A' ' 42' ' ' PHE . . . -50.59 -34.98 27.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.218 -0.926 . . . . 0.0 110.116 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -71.55 -38.66 70.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 109.926 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -92.31 20.07 6.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.248 -0.908 . . . . 0.0 110.105 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 53.78 24.17 4.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 110.448 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -108.02 14.77 24.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.303 -0.873 . . . . 0.0 110.089 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.57 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -76.75 27.49 0.13 Allowed 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.082 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -56.23 -69.64 0.14 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.281 -1.512 . . . . 0.0 107.369 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 2.7 pt-20 -82.3 -20.06 38.18 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.639 -0.663 . . . . 0.0 109.43 177.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 42' ' ' PHE . . . -72.45 -48.38 41.45 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.202 -0.937 . . . . 0.0 110.982 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.474 ' HB3' ' CE2' ' B' ' 42' ' ' PHE . . . -53.01 -34.02 54.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.107 -0.995 . . . . 0.0 110.462 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -28.85 37.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.203 -0.935 . . . . 0.0 110.054 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.3 mm -52.36 -30.09 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.146 -0.971 . . . . 0.0 109.323 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -53.97 -26.45 25.88 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.701 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.423 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 3.6 t0 -68.63 -36.14 78.22 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.511 -0.743 . . . . 0.0 109.392 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.422 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 20.3 mt-30 -78.91 -35.81 42.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.352 -0.842 . . . . 0.0 109.828 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.419 HD23 ' CB ' ' A' ' 29' ' ' LEU . 1.1 mm? -57.66 -26.0 61.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.406 -0.809 . . . . 0.0 110.144 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.45 -45.54 30.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 0.0 110.268 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.41 -39.89 95.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.274 -0.891 . . . . 0.0 110.241 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.422 ' CD1' ' O ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -56.2 -29.08 60.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.185 -0.947 . . . . 0.0 110.167 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.45 -45.49 73.11 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 0.0 110.115 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.42 -61.7 2.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.268 -0.895 . . . . 0.0 110.188 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mt -45.58 -25.67 0.49 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 0.0 111.344 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -48.96 -47.85 43.58 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.991 -1.068 . . . . 0.0 110.642 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.9 mt -63.54 -41.78 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.3 -0.875 . . . . 0.0 110.15 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.64 -20.58 34.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.311 -0.868 . . . . 0.0 110.169 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.183 -0.948 . . . . 0.0 110.203 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' B' ' 22' ' ' LEU . 56.5 Cg_endo . . . . . 0 N--CA 1.481 0.792 0 N-CA-C 111.741 -0.138 . . . . 0.0 111.741 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 67.3 -65.65 0.22 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.951 -1.093 . . . . 0.0 110.129 -179.673 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -49.35 -49.36 44.66 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.112 -0.993 . . . . 0.0 109.664 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.445 ' CB ' ' HD2' ' B' ' 19' ' ' PRO . 0.1 OUTLIER -66.37 -56.11 12.63 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.677 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -47.83 -51.85 21.21 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.264 0.554 . . . . 0.0 110.505 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -35.29 80.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.31 -0.869 . . . . 0.0 110.213 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -66.4 -43.76 84.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.265 -0.897 . . . . 0.0 110.222 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.431 HD13 ' CD1' ' B' ' 22' ' ' LEU . 97.5 mt -68.95 -53.95 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.923 . . . . 0.0 110.114 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -58.54 -23.05 57.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.275 -0.891 . . . . 0.0 110.151 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -65.83 0.63 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.861 . . . . 0.0 110.207 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.42 ' CB ' HD23 ' B' ' 52' ' ' LEU . 1.5 mp -65.75 -37.37 86.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.933 . . . . 0.0 110.103 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.72 -46.61 89.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.91 . . . . 0.0 109.932 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.35 -31.64 62.99 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.412 ' HA ' ' NE2' ' B' ' 35' ' ' GLN . 33.8 tp -75.85 -31.54 59.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -1.131 . . . . 0.0 110.026 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' MET . . . . . 0.481 ' HE3' ' CE1' ' A' ' 42' ' ' PHE . 5.2 tmm? -80.25 -26.89 38.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.356 -0.84 . . . . 0.0 110.221 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -44.8 19.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.374 -0.829 . . . . 0.0 110.69 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' B' ' 36' ' ' HIS . 5.0 pt20 -54.44 -36.28 63.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.157 -0.964 . . . . 0.0 110.564 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.436 ' N ' ' HG3' ' B' ' 35' ' ' GLN . 40.6 m80 -80.13 -49.15 12.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.1 -1.0 . . . . 0.0 110.349 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.467 ' N ' ' HB3' ' B' ' 42' ' ' PHE . . . -50.56 -35.08 28.1 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.245 -0.909 . . . . 0.0 110.047 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -71.45 -38.69 71.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.306 -0.871 . . . . 0.0 110.027 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -92.33 20.07 6.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 0.0 110.097 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 53.8 24.23 4.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.215 -0.928 . . . . 0.0 110.346 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -108.11 14.7 24.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.345 -0.847 . . . . 0.0 110.091 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.573 ' HA ' ' CB ' ' B' ' 45' ' ' ALA . 0.0 OUTLIER -76.56 27.29 0.13 Allowed 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -179.146 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -56.1 -69.64 0.14 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.299 -1.501 . . . . 0.0 107.441 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 2.7 pt-20 -82.29 -20.02 38.33 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.664 -0.647 . . . . 0.0 109.482 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.573 ' CB ' ' HA ' ' B' ' 42' ' ' PHE . . . -72.55 -48.42 40.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.209 -0.932 . . . . 0.0 110.947 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.488 ' HB1' ' CE2' ' A' ' 42' ' ' PHE . . . -52.89 -34.07 53.15 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.082 -1.011 . . . . 0.0 110.477 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -28.75 37.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.214 -0.929 . . . . 0.0 110.087 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 34.5 mm -52.42 -29.98 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.132 -0.98 . . . . 0.0 109.348 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.409 ' NH1' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -54.01 -26.49 26.55 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.409 ' HA ' ' NH1' ' B' ' 49' ' ' ARG . 3.6 t0 -68.66 -36.19 78.23 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.44 -0.788 . . . . 0.0 109.326 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.408 ' O ' ' CD1' ' B' ' 55' ' ' LEU . 20.2 mt-30 -78.94 -35.79 42.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.325 -0.859 . . . . 0.0 109.795 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.421 ' CD1' HG22 ' B' ' 26' ' ' ILE . 1.1 mm? -57.64 -26.03 61.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.372 -0.83 . . . . 0.0 110.193 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.36 -45.63 31.09 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.295 -0.878 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.24 -40.03 96.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.408 ' CD1' ' O ' ' B' ' 51' ' ' GLN . 0.4 OUTLIER -56.16 -29.15 60.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.903 . . . . 0.0 110.19 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.32 -45.6 72.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.236 -0.915 . . . . 0.0 110.137 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.44 -61.63 2.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.283 -0.886 . . . . 0.0 110.174 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mt -45.63 -25.59 0.49 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.568 -0.707 . . . . 0.0 111.32 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -48.99 -47.98 43.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.962 -1.087 . . . . 0.0 110.584 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 16.9 mt -63.38 -41.86 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.171 -0.956 . . . . 0.0 110.16 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.69 -20.49 34.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.203 -0.936 . . . . 0.0 110.181 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.36 -64.53 1.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.188 -0.945 . . . . 0.0 110.19 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.213 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 21' ' ' ALA . 49.1 Cg_endo . . . . . 0 N--CA 1.49 1.313 0 N-CA-C 111.57 -0.204 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' CD ' ' C ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 56.42 -74.31 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.567 -0.708 . . . . 0.0 111.252 178.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -48.16 -47.16 35.15 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.977 -1.077 . . . . 0.0 109.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' CB ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -66.3 -50.69 62.8 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.369 -0.832 . . . . 0.0 109.173 178.771 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -51.46 -56.78 11.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.721 -0.612 . . . . 0.0 110.361 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -43.92 97.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.323 -0.861 . . . . 0.0 110.311 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -52.91 -50.54 63.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.227 -0.921 . . . . 0.0 110.361 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.7 mt -66.64 -58.26 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 0.0 110.294 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -55.14 -21.29 12.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 110.358 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.64 -44.81 26.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 0.0 110.302 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.418 ' CD1' HD12 ' A' ' 55' ' ' LEU . 13.9 mt -75.14 -40.82 59.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.226 -0.921 . . . . 0.0 110.348 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -41.23 79.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.216 -0.928 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.83 -27.31 73.98 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 tp -80.0 -27.66 39.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.204 -1.174 . . . . 0.0 110.237 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.422 ' HE3' ' CD2' ' B' ' 40' ' ' LEU . 4.7 tmm? -73.51 -56.95 4.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.955 . . . . 0.0 110.292 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.48 -37.11 64.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -0.881 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -73.9 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.23 -0.919 . . . . 0.0 110.318 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.468 ' CD2' ' OE2' ' A' ' 44' ' ' GLU . 28.6 m170 -47.11 -54.16 11.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.315 -0.866 . . . . 0.0 110.878 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.79 48.75 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.08 -1.013 . . . . 0.0 109.719 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -68.27 -31.8 71.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.397 -0.814 . . . . 0.0 109.237 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -90.46 15.17 11.2 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.524 -0.735 . . . . 0.0 109.836 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.78 27.96 17.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.324 -0.86 . . . . 0.0 111.092 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 3.6 mm-40 -77.63 -45.87 23.79 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.022 . . . . 0.0 109.104 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.531 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 3.5 m-85 49.47 -178.41 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.585 -0.697 . . . . 0.0 111.094 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 45.8 tt0 66.12 -62.68 0.25 Allowed 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 121.767 0.794 . . . . 0.0 109.113 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' OE2' ' CD2' ' A' ' 36' ' ' HIS . 16.8 pt-20 -82.15 -30.4 31.06 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-O 121.377 0.608 . . . . 0.0 109.553 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.441 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -80.58 -48.39 12.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.327 -0.858 . . . . 0.0 110.893 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.528 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -69.13 -19.83 64.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -0.952 . . . . 0.0 110.429 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.72 -50.18 12.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.098 -1.001 . . . . 0.0 109.67 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.4 mt -51.61 -32.4 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.206 -0.934 . . . . 0.0 109.566 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' NH2' ' HB2' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -54.22 -24.8 19.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.506 -0.746 . . . . 0.0 109.214 178.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.416 ' HB2' ' NH2' ' A' ' 49' ' ' ARG . 12.2 t0 -80.07 -29.7 39.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.34 -0.85 . . . . 0.0 109.852 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.11 -40.45 68.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.326 -0.859 . . . . 0.0 110.069 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -53.18 -30.62 38.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.201 -0.937 . . . . 0.0 110.093 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -37.81 33.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -0.906 . . . . 0.0 109.996 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.73 -39.31 84.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.299 -0.875 . . . . 0.0 110.111 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 ' CD1' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.17 -21.18 59.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.33 -0.856 . . . . 0.0 110.225 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ttt85 -52.83 -51.89 59.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.221 -0.925 . . . . 0.0 110.213 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.34 -44.26 79.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 0.0 110.031 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -22.74 8.29 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.31 -0.869 . . . . 0.0 110.164 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -52.64 -38.96 61.25 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.243 -0.91 . . . . 0.0 110.251 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.4 mt -71.85 -36.16 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.214 -0.929 . . . . 0.0 110.188 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.39 -21.92 66.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.217 -0.927 . . . . 0.0 110.159 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.249 -0.907 . . . . 0.0 110.234 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' B' ' 21' ' ' ALA . 50.8 Cg_endo . . . . . 0 N--CA 1.489 1.224 0 N-CA-C 111.614 -0.187 . . . . 0.0 111.614 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.417 ' CD ' ' C ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 56.33 -74.3 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.406 0 O-C-N 121.564 -0.71 . . . . 0.0 111.322 178.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -48.24 -47.11 36.11 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.962 -1.086 . . . . 0.0 109.892 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.465 ' CB ' ' HD2' ' B' ' 19' ' ' PRO . 0.1 OUTLIER -66.28 -50.73 62.68 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.44 -0.787 . . . . 0.0 109.168 178.786 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -51.46 -56.77 11.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.694 -0.629 . . . . 0.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -43.91 97.99 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 0.0 110.335 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -52.83 -50.63 63.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 0.0 110.37 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 90.7 mt -66.57 -58.28 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.252 -0.905 . . . . 0.0 110.338 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -55.16 -21.33 13.05 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.221 -0.924 . . . . 0.0 110.302 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.56 -44.89 27.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.941 . . . . 0.0 110.317 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.424 ' CD1' HD12 ' B' ' 55' ' ' LEU . 13.8 mt -75.05 -41.01 59.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.212 -0.93 . . . . 0.0 110.262 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -41.18 79.43 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.302 -0.874 . . . . 0.0 110.234 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.87 -27.25 74.04 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 tp -80.09 -27.62 39.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.271 -1.135 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 4.7 tmm? -73.46 -56.9 4.43 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.934 . . . . 0.0 110.297 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.59 -37.12 65.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.164 -0.96 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.62 -73.87 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.313 -0.867 . . . . 0.0 110.325 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.467 ' CD2' ' OE2' ' B' ' 44' ' ' GLU . 28.9 m170 -47.06 -54.21 10.88 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.41 -0.806 . . . . 0.0 110.889 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.81 -43.79 48.83 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.102 -0.999 . . . . 0.0 109.66 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -68.23 -31.81 71.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.361 -0.837 . . . . 0.0 109.291 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -90.56 15.31 11.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.447 -0.783 . . . . 0.0 109.806 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.422 ' CD2' ' HE3' ' A' ' 33' ' ' MET . 0.2 OUTLIER 59.79 27.9 17.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.315 -0.866 . . . . 0.0 111.1 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.43 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 3.6 mm-40 -77.55 -45.99 23.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.072 -1.018 . . . . 0.0 109.136 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.528 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 3.5 m-85 49.58 -178.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.597 -0.689 . . . . 0.0 111.085 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 45.9 tt0 66.04 -62.55 0.25 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.78 0.8 . . . . 0.0 109.128 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.467 ' OE2' ' CD2' ' B' ' 36' ' ' HIS . 16.8 pt-20 -82.16 -30.4 31.03 Favored 'General case' 0 C--N 1.29 -1.978 0 CA-C-O 121.366 0.603 . . . . 0.0 109.559 178.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.57 -48.47 12.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.911 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.531 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -69.14 -19.82 64.03 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.909 . . . . 0.0 110.412 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.64 -50.24 12.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.135 -0.978 . . . . 0.0 109.713 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 69.5 mt -51.54 -32.47 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.256 -0.902 . . . . 0.0 109.459 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.426 ' NH2' ' HB2' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -54.28 -24.67 19.81 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.49 -0.756 . . . . 0.0 109.141 179.065 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.426 ' HB2' ' NH2' ' B' ' 49' ' ' ARG . 12.3 t0 -80.24 -29.58 38.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 0.0 109.808 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.21 -40.4 67.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.308 -0.87 . . . . 0.0 110.034 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -53.24 -30.56 38.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 0.0 110.085 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -37.73 33.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.338 -0.851 . . . . 0.0 110.097 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -67.79 -39.24 84.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.883 . . . . 0.0 110.12 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.424 HD12 ' CD1' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -59.18 -21.23 59.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.909 . . . . 0.0 110.192 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ttt85 -52.82 -51.94 58.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.206 -0.934 . . . . 0.0 110.258 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.29 -44.18 79.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 110.111 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -22.88 7.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.367 -0.833 . . . . 0.0 110.205 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -52.63 -38.96 61.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.279 -0.888 . . . . 0.0 110.228 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 29.3 mt -71.81 -36.21 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.254 -0.904 . . . . 0.0 110.138 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.37 -21.83 66.51 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.317 -0.865 . . . . 0.0 110.177 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.13 -66.45 0.91 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.182 -0.948 . . . . 0.0 110.179 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.229 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 21' ' ' ALA . 49.4 Cg_endo . . . . . 0 C--O 1.215 -0.671 0 CA-C-O 120.775 0.239 . . . . 0.0 111.654 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? 63.83 -68.83 0.09 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.194 -0.941 . . . . 0.0 111.504 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.97 -48.3 21.62 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.094 -1.004 . . . . 0.0 110.984 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.484 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 10.2 mp -80.75 -37.76 29.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.294 -0.879 . . . . 0.0 109.38 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -50.35 -53.29 30.06 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.783 -0.573 . . . . 0.0 110.524 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -66.8 -41.65 87.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.161 -0.962 . . . . 0.0 110.393 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -62.17 -38.3 88.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 110.436 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.3 mt -80.06 -43.76 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.22 -0.925 . . . . 0.0 110.47 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -65.63 -31.52 72.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.241 -0.912 . . . . 0.0 110.535 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -80.11 -37.89 32.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.156 -0.965 . . . . 0.0 110.445 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.5 mt -73.13 -34.09 65.91 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.167 -0.958 . . . . 0.0 110.441 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.04 -50.22 74.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.0 110.452 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.37 -29.08 73.0 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.49 -30.4 71.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.153 -1.204 . . . . 0.0 110.392 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mtp -62.6 -58.23 8.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 0.0 110.418 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 ttm -57.92 -43.29 86.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.277 -0.89 . . . . 0.0 110.473 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -75.7 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.236 -0.915 . . . . 0.0 110.559 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 15.6 m-70 -50.83 -54.65 21.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.207 -0.933 . . . . 0.0 110.569 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.02 -41.17 24.91 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.178 -0.951 . . . . 0.0 110.177 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -61.94 -33.53 74.44 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.276 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -91.77 18.52 7.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.43 -0.794 . . . . 0.0 109.606 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mp 55.83 23.52 6.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.416 -0.803 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.29 -47.52 70.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.164 -0.96 . . . . 0.0 108.95 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.535 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 3.9 m-85 48.29 -176.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.682 -0.636 . . . . 0.0 111.247 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 26.4 tt0 65.6 -63.62 0.21 Allowed 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 121.75 0.786 . . . . 0.0 109.151 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' PHE . 14.2 pt-20 -82.63 -29.8 29.86 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-O 121.406 0.622 . . . . 0.0 109.839 178.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -80.76 -47.11 14.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.334 -0.854 . . . . 0.0 111.288 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.532 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -73.3 -37.76 66.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.15 -0.969 . . . . 0.0 110.779 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 8.2 mm-40 -52.96 -23.11 6.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.9 -1.125 . . . . 0.0 110.245 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.61 -27.98 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.361 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -54.29 -25.79 25.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.02 -1.05 . . . . 0.0 109.93 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.02 -38.85 31.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.359 -0.838 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -75.85 -45.88 33.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.908 . . . . 0.0 110.204 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.5 -36.96 74.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.237 -0.914 . . . . 0.0 110.138 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.44 -39.11 71.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.912 . . . . 0.0 110.099 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -71.48 -38.57 71.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.905 . . . . 0.0 109.991 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -60.2 -27.82 67.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -0.869 . . . . 0.0 110.032 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -62.34 -70.63 0.19 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 0.0 109.503 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -51.02 -38.35 50.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.484 -0.76 . . . . 0.0 110.0 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.19 -21.46 13.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.313 -0.867 . . . . 0.0 110.079 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -49.89 -44.68 50.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.248 -0.908 . . . . 0.0 110.287 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.17 -38.12 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.0 110.107 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -22.13 65.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.266 -0.896 . . . . 0.0 110.059 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.351 -0.843 . . . . 0.0 110.127 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' B' ' 21' ' ' ALA . 48.8 Cg_endo . . . . . 0 CA--C 1.538 0.722 0 CA-C-O 120.752 0.23 . . . . 0.0 111.631 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? 63.88 -68.8 0.09 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.224 -0.922 . . . . 0.0 111.424 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.97 -48.32 21.64 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.071 -1.018 . . . . 0.0 110.95 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 10.2 mp -80.82 -37.79 29.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 0.0 109.314 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -50.34 -53.14 31.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.765 -0.584 . . . . 0.0 110.615 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -66.87 -41.73 86.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.144 -0.972 . . . . 0.0 110.345 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -62.12 -38.26 88.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.137 -0.977 . . . . 0.0 110.438 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 95.3 mt -80.1 -43.86 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.924 . . . . 0.0 110.463 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -65.61 -31.45 72.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.243 -0.911 . . . . 0.0 110.551 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -80.01 -38.02 32.92 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.147 -0.971 . . . . 0.0 110.438 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 35.4 mt -73.08 -34.19 66.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.194 -0.941 . . . . 0.0 110.408 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.02 -50.17 74.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 110.457 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.38 -29.11 73.0 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.56 -30.33 71.46 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.172 -1.193 . . . . 0.0 110.369 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mtp -62.62 -58.17 8.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.152 -0.968 . . . . 0.0 110.466 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.8 ttm -58.02 -43.11 86.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.274 -0.892 . . . . 0.0 110.555 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.18 -75.81 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.196 -0.94 . . . . 0.0 110.556 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' HIS . . . . . 0.454 ' HB2' ' CB ' ' B' ' 45' ' ' ALA . 15.7 m-70 -50.83 -54.63 22.09 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.259 -0.901 . . . . 0.0 110.562 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.04 -41.11 24.9 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.214 -0.929 . . . . 0.0 110.199 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -62.06 -33.33 74.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.202 -0.936 . . . . 0.0 109.313 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -91.85 18.43 7.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.774 . . . . 0.0 109.615 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mp 55.94 23.53 6.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.475 -0.766 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.37 -47.51 70.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 108.928 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.532 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 3.9 m-85 48.35 -176.32 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.667 -0.645 . . . . 0.0 111.224 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 26.4 tt0 65.65 -63.57 0.21 Allowed 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.735 0.779 . . . . 0.0 109.127 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 42' ' ' PHE . 14.1 pt-20 -82.69 -29.81 29.64 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-O 121.371 0.605 . . . . 0.0 109.836 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.81 -47.0 14.47 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.399 -0.813 . . . . 0.0 111.243 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.535 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -73.29 -37.81 66.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.205 -0.935 . . . . 0.0 110.864 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 8.2 mm-40 -52.95 -23.12 6.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.99 -1.069 . . . . 0.0 110.208 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 90.6 mt -64.62 -27.94 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.32 -0.862 . . . . 0.0 110.363 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.2 OUTLIER -54.38 -25.63 25.52 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.06 -1.025 . . . . 0.0 109.951 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.09 -38.79 30.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.355 -0.841 . . . . 0.0 110.111 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -75.98 -45.9 32.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.908 . . . . 0.0 110.096 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -36.84 74.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.235 -0.916 . . . . 0.0 110.166 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.42 -39.25 71.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -0.91 . . . . 0.0 110.05 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -71.38 -38.65 71.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 110.052 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.18 -27.95 67.54 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.293 -0.879 . . . . 0.0 109.962 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -62.27 -70.55 0.19 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 0.0 109.562 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -51.05 -38.3 50.7 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.481 -0.762 . . . . 0.0 110.025 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.25 -21.39 14.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.332 -0.855 . . . . 0.0 110.113 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -49.91 -44.68 50.32 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.199 -0.938 . . . . 0.0 110.268 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.21 -38.16 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.181 -0.95 . . . . 0.0 110.015 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.1 -22.22 65.63 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.2 -0.938 . . . . 0.0 110.077 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.68 -67.93 0.84 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.354 -0.841 . . . . 0.0 110.269 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.215 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.255 0.55 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 2.9 mt-10 53.03 52.05 9.97 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.281 -0.887 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 46.7 Cg_endo -73.02 -46.62 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.662 1.348 . . . . 0.0 110.389 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -59.7 -19.96 53.17 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.269 -0.894 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 3.8 t30 -108.27 14.74 24.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.191 -0.943 . . . . 0.0 110.443 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.481 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 2.3 t -87.97 -48.3 0.45 Allowed Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.058 -1.026 . . . . 0.0 110.162 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 13' ' ' VAL . 44.6 Cg_endo -82.31 -82.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.35 0 O-C-N 123.239 1.126 . . . . 0.0 110.156 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -176.33 -172.02 0.45 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.154 -0.966 . . . . 0.0 110.124 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -159.29 38.22 0.2 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.22 -0.925 . . . . 0.0 110.266 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -55.88 -39.85 72.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.24 -0.913 . . . . 0.0 110.156 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.404 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 58.2 m -156.75 164.4 21.75 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.27 -0.894 . . . . 0.0 110.115 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' ALA . 43.7 Cg_endo -69.9 -7.23 20.59 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.697 1.367 . . . . 0.0 111.489 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? 63.79 -70.31 0.07 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.402 -0.812 . . . . 0.0 110.953 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -52.03 -60.34 3.31 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.906 -1.121 . . . . 0.0 109.846 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.476 ' CD1' ' CD1' ' A' ' 26' ' ' ILE . 4.2 tp -56.69 -61.38 2.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.0 109.218 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -49.57 -34.03 16.59 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.389 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -72.39 -36.56 68.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.271 -0.893 . . . . 0.0 110.044 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -45.55 61.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.269 -0.894 . . . . 0.0 110.076 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CD1' ' CD1' ' A' ' 22' ' ' LEU . 71.6 mt -54.63 -55.06 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 110.116 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.56 -22.3 63.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.278 -0.889 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -43.45 21.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.299 -0.875 . . . . 0.0 110.389 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' CB ' ' CD2' ' A' ' 52' ' ' LEU . 14.7 mt -71.19 -43.21 67.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.245 -0.909 . . . . 0.0 110.433 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -43.39 98.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.239 -0.913 . . . . 0.0 110.324 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.89 -22.05 70.0 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.0 tp -73.8 -39.88 63.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -1.187 . . . . 0.0 110.3 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.456 ' HE2' ' CZ ' ' B' ' 42' ' ' PHE . 9.7 mtp -53.06 -51.66 61.05 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -0.951 . . . . 0.0 110.379 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -49.23 -45.22 44.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.266 -0.896 . . . . 0.0 110.654 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.07 -74.83 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.18 -0.95 . . . . 0.0 110.425 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.475 ' CB ' ' CB ' ' A' ' 45' ' ' ALA . 2.3 m170 -54.89 -54.98 35.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.252 -0.905 . . . . 0.0 110.759 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.415 ' HA ' ' HB3' ' A' ' 42' ' ' PHE . . . -46.96 -30.62 2.67 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.295 -0.878 . . . . 0.0 110.126 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.415 ' HA ' ' CE ' ' B' ' 34' ' ' MET . 16.1 mt-30 -80.14 -34.55 37.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.37 -0.831 . . . . 0.0 109.256 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -95.34 24.65 4.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.441 -0.787 . . . . 0.0 109.624 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mp 55.11 30.47 14.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.453 -0.78 . . . . 0.0 110.767 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -110.03 20.63 17.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.158 -0.963 . . . . 0.0 109.834 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.536 ' CE1' ' CB ' ' B' ' 46' ' ' ALA . 5.6 p90 -61.26 -8.82 4.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.567 -0.708 . . . . 0.0 112.029 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -48.93 -68.44 0.18 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.579 -1.326 . . . . 0.0 109.373 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -81.4 -19.21 43.09 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.551 -0.718 . . . . 0.0 109.65 178.28 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.475 ' CB ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.05 -51.47 11.01 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.358 -0.839 . . . . 0.0 111.593 -179.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.528 ' CB ' ' CE1' ' B' ' 42' ' ' PHE . . . -51.39 -23.47 3.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.977 -1.077 . . . . 0.0 110.531 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -54.79 -32.4 60.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.035 -1.04 . . . . 0.0 109.593 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 29' ' ' LEU . 36.4 mt -54.18 -28.4 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.339 -0.851 . . . . 0.0 109.335 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -48.72 -33.98 11.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.465 -0.772 . . . . 0.0 109.733 179.267 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 28.8 t0 -71.87 -37.46 70.19 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.35 -0.844 . . . . 0.0 109.788 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -80.15 -34.93 37.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.847 . . . . 0.0 109.987 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.466 ' CD2' ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -66.75 -36.88 83.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.275 -0.891 . . . . 0.0 110.185 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -77.1 -44.64 29.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.888 . . . . 0.0 110.2 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.15 -44.55 91.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.212 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.8 mt -65.39 -24.19 67.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.178 -0.952 . . . . 0.0 110.166 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -61.31 -62.03 2.12 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.225 -0.922 . . . . 0.0 110.15 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -54.41 -37.91 65.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.0 110.146 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.4 mt -64.7 -19.85 65.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.435 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 44.4 t80 -51.21 -45.0 61.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -76.92 -49.11 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.218 -0.926 . . . . 0.0 110.155 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.79 -24.46 15.4 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.226 -0.921 . . . . 0.0 110.163 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.67 -74.64 0.38 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 110.205 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.227 179.941 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.26 0.552 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 10' ' ' PRO . 2.9 mt-10 53.19 51.95 9.67 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.249 -0.907 . . . . 0.0 110.238 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' B' ' 9' ' ' GLU . 46.7 Cg_endo -73.01 -46.69 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 O-C-N 123.711 1.374 . . . . 0.0 110.384 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -59.63 -19.95 52.65 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.269 -0.894 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.412 ' O ' ' ND2' ' B' ' 12' ' ' ASN . 3.7 t30 -108.34 14.83 24.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.23 -0.919 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.475 ' N ' ' CD ' ' B' ' 14' ' ' PRO . 2.3 t -88.04 -48.2 0.45 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.081 -1.012 . . . . 0.0 110.104 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' B' ' 13' ' ' VAL . 44.8 Cg_endo -82.35 -82.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 O-C-N 123.33 1.174 . . . . 0.0 110.224 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -176.18 -172.09 0.47 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.106 -0.996 . . . . 0.0 110.145 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -159.17 38.09 0.21 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.183 -0.948 . . . . 0.0 110.254 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -55.82 -39.88 72.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.252 -0.905 . . . . 0.0 110.221 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.402 ' HB3' ' HD2' ' B' ' 19' ' ' PRO . 58.1 m -156.75 164.38 21.81 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.25 -0.906 . . . . 0.0 110.128 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' B' ' 21' ' ' ALA . 43.8 Cg_endo -69.9 -7.15 20.37 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 O-C-N 123.685 1.36 . . . . 0.0 111.514 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? 63.73 -70.38 0.07 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.394 -0.816 . . . . 0.0 110.961 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -52.04 -60.26 3.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.908 -1.12 . . . . 0.0 109.934 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.474 ' CD1' ' CD1' ' B' ' 26' ' ' ILE . 4.1 tp -56.74 -61.37 2.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.395 -0.815 . . . . 0.0 109.222 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -49.59 -34.02 16.71 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.396 -0.815 . . . . 0.0 110.382 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -72.4 -36.53 68.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.272 -0.893 . . . . 0.0 110.048 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -45.4 61.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.238 -0.913 . . . . 0.0 110.136 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.474 ' CD1' ' CD1' ' B' ' 22' ' ' LEU . 71.5 mt -54.75 -54.95 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.376 -0.828 . . . . 0.0 110.117 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.64 -22.3 63.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.895 . . . . 0.0 110.275 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -43.67 20.81 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.275 -0.891 . . . . 0.0 110.345 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.471 ' CB ' ' CD2' ' B' ' 52' ' ' LEU . 14.6 mt -71.01 -43.29 68.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.223 -0.923 . . . . 0.0 110.451 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -43.23 99.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 0.0 110.263 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.83 -22.31 70.09 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 tp -73.66 -40.13 63.94 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.227 -1.161 . . . . 0.0 110.307 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' MET . . . . . 0.482 ' HE2' ' CZ ' ' A' ' 42' ' ' PHE . 9.9 mtp -52.77 -51.66 59.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.215 -0.928 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' MET . . . . . 0.415 ' CE ' ' HA ' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -49.22 -45.43 44.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.327 -0.858 . . . . 0.0 110.632 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -75.01 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.269 -0.894 . . . . 0.0 110.468 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.482 ' CB ' ' CB ' ' B' ' 45' ' ' ALA . 2.3 m170 -54.77 -54.85 36.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.746 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' B' ' 42' ' ' PHE . . . -47.08 -30.86 2.99 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.261 -0.9 . . . . 0.0 110.139 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -79.85 -34.61 39.18 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 109.204 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -95.26 24.72 4.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.478 -0.764 . . . . 0.0 109.651 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mp 55.04 30.31 13.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.514 -0.741 . . . . 0.0 110.803 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.89 20.73 17.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.179 -0.951 . . . . 0.0 109.824 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.528 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 5.8 p90 -61.38 -8.6 4.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.541 -0.724 . . . . 0.0 112.022 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -49.02 -68.43 0.18 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.537 -1.352 . . . . 0.0 109.443 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 0.3 OUTLIER -81.53 -19.23 42.57 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.581 -0.699 . . . . 0.0 109.608 178.327 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.482 ' CB ' ' CB ' ' B' ' 36' ' ' HIS . . . -76.89 -51.54 11.06 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.339 -0.851 . . . . 0.0 111.533 -179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.536 ' CB ' ' CE1' ' A' ' 42' ' ' PHE . . . -50.96 -23.9 3.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.089 -1.007 . . . . 0.0 110.579 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -54.71 -32.55 59.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.119 -0.988 . . . . 0.0 109.61 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.419 ' CG2' ' HB3' ' B' ' 29' ' ' LEU . 36.2 mt -54.09 -28.43 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.367 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.428 ' NH1' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -48.68 -34.01 11.09 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.507 -0.746 . . . . 0.0 109.777 179.272 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.428 ' HA ' ' NH1' ' B' ' 49' ' ' ARG . 28.9 t0 -71.85 -37.44 70.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.3 -0.875 . . . . 0.0 109.801 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -80.16 -34.83 37.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.28 -0.888 . . . . 0.0 110.004 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.471 ' CD2' ' CB ' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -66.8 -36.9 83.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.181 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -77.11 -44.53 30.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.247 -0.908 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -64.21 -44.48 91.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.248 -0.908 . . . . 0.0 110.272 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 15.7 mt -65.41 -24.21 67.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.192 -0.943 . . . . 0.0 110.206 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -61.25 -62.15 2.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.93 . . . . 0.0 110.196 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -54.33 -37.94 65.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.272 -0.893 . . . . 0.0 110.151 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 43.4 mt -64.64 -19.87 65.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 110.317 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . 0.416 ' HA ' ' CD2' ' B' ' 22' ' ' LEU . 44.3 t80 -51.27 -44.93 61.93 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.139 -0.976 . . . . 0.0 110.421 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.6 mt -76.93 -49.13 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.279 -0.888 . . . . 0.0 110.153 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.81 -24.48 15.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.895 . . . . 0.0 110.124 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.62 -74.64 0.38 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.312 -0.868 . . . . 0.0 110.166 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.2 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.236 0.541 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 53.05 70.87 1.62 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.296 -0.878 . . . . 0.0 110.241 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.5 Cg_endo -72.98 -46.56 0.38 Allowed 'Trans proline' 0 C--N 1.311 -1.403 0 O-C-N 123.676 1.356 . . . . 0.0 110.489 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.8 -82.52 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.477 -0.764 . . . . 0.0 110.246 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 10' ' ' PRO . 1.4 p-10 -152.34 18.93 0.65 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 110.512 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.478 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.8 t -85.54 -61.93 0.26 Allowed Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.128 -0.983 . . . . 0.0 110.224 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.478 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 48.6 Cg_endo -74.39 -45.93 0.31 Allowed 'Trans proline' 0 C--N 1.312 -1.343 0 O-C-N 123.248 1.131 . . . . 0.0 110.107 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.8 -163.64 0.1 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.426 -0.796 . . . . 0.0 110.136 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -133.15 41.67 3.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.201 -0.937 . . . . 0.0 110.224 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.2 ptm -60.11 -32.35 70.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -0.9 . . . . 0.0 110.13 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 3.0 m -157.39 166.32 16.85 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.196 -0.94 . . . . 0.0 110.113 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HG2' ' HB2' ' A' ' 22' ' ' LEU . 45.5 Cg_endo -85.29 17.43 1.76 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 O-C-N 123.721 1.379 . . . . 0.0 111.659 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.18 -67.55 0.11 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.303 -0.873 . . . . 0.0 111.573 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.89 -45.61 15.34 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.171 -0.955 . . . . 0.0 111.009 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 9.3 mp -80.51 -47.47 14.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.193 -0.942 . . . . 0.0 109.499 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 10.7 tt0 -52.47 -54.93 25.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.697 -0.627 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -62.53 -46.77 86.86 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 0.0 110.198 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -58.21 -51.69 68.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 110.304 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.42 -58.23 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.25 -0.906 . . . . 0.0 110.182 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -60.7 -28.01 68.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.174 -0.954 . . . . 0.0 110.331 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -80.06 -40.61 27.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.231 -0.918 . . . . 0.0 110.418 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.455 ' CB ' ' CD2' ' A' ' 52' ' ' LEU . 40.0 mt -72.93 -36.7 67.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.223 -0.923 . . . . 0.0 110.327 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -46.58 70.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.187 -0.946 . . . . 0.0 110.126 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.43 -34.75 64.05 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.412 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 22.2 tp -67.93 -37.58 81.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.199 -1.177 . . . . 0.0 110.031 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.42 ' HG3' ' HB ' ' A' ' 48' ' ' ILE . 2.5 ttp -67.21 -23.5 65.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.833 . . . . 0.0 110.219 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.09 -58.09 3.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.35 -0.844 . . . . 0.0 110.536 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 32' ' ' LEU . 8.0 pt20 -49.73 -33.64 16.71 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.109 -0.994 . . . . 0.0 110.391 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.481 ' CB ' ' CB ' ' A' ' 45' ' ' ALA . 33.8 m-70 -80.09 -57.1 3.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.266 -0.896 . . . . 0.0 110.1 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.85 -27.34 2.97 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.262 -0.898 . . . . 0.0 110.031 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -78.23 -39.39 40.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 0.0 109.419 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.54 28.96 2.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.41 -0.806 . . . . 0.0 109.567 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp 55.09 27.37 9.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.6 -0.688 . . . . 0.0 110.595 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -101.55 15.04 30.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.227 -0.92 . . . . 0.0 109.982 179.363 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.502 ' CE1' ' HB1' ' B' ' 46' ' ' ALA . 5.1 p90 -58.79 -13.73 6.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 111.258 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -49.32 -62.92 1.28 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.571 -1.331 . . . . 0.0 109.557 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 3.9 pt-20 -82.78 -19.84 37.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.994 -1.066 . . . . 0.0 109.601 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.481 ' CB ' ' CB ' ' A' ' 36' ' ' HIS . . . -79.03 -58.72 3.1 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 111.494 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.508 ' HB3' ' CE1' ' B' ' 42' ' ' PHE . . . -42.45 -28.46 0.21 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.483 -0.761 . . . . 0.0 111.147 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.74 -31.19 70.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.002 -1.061 . . . . 0.0 109.701 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.42 ' HB ' ' HG3' ' A' ' 33' ' ' MET . 95.8 mt -53.69 -32.27 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.173 -0.954 . . . . 0.0 109.365 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -46.9 -34.13 5.18 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.722 -0.611 . . . . 0.0 109.697 179.011 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 31.2 t70 -67.05 -39.41 86.9 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.348 -0.845 . . . . 0.0 109.146 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.421 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 20.6 mt-30 -80.15 -33.61 38.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.426 -0.797 . . . . 0.0 109.537 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.455 ' CD2' ' CB ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -67.33 -37.08 82.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.376 -0.828 . . . . 0.0 109.907 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -78.07 -48.86 15.13 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.325 -0.859 . . . . 0.0 110.129 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.08 -35.95 72.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.233 -0.917 . . . . 0.0 110.1 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' CD1' ' O ' ' A' ' 51' ' ' GLN . 4.5 mt -70.04 -27.12 64.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.293 -0.879 . . . . 0.0 110.087 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -53.92 44.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 110.092 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.34 -30.49 68.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.288 -0.883 . . . . 0.0 110.1 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.2 mt -69.43 -20.01 63.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.219 -0.926 . . . . 0.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -52.18 -29.24 21.4 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.184 -0.948 . . . . 0.0 110.332 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.0 mm -75.75 -39.64 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 0.0 110.162 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -25.45 64.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 110.21 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.56 -67.97 0.82 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.335 -0.853 . . . . 0.0 110.199 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.248 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.234 0.54 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 53.12 70.83 1.63 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.1 Cg_endo -72.99 -46.59 0.38 Allowed 'Trans proline' 0 C--N 1.31 -1.453 0 O-C-N 123.72 1.379 . . . . 0.0 110.458 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.76 -82.54 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.419 -0.801 . . . . 0.0 110.301 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 10' ' ' PRO . 1.4 p-10 -152.31 18.9 0.65 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.173 -0.954 . . . . 0.0 110.471 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.487 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.8 t -85.49 -62.01 0.25 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.089 -1.007 . . . . 0.0 110.182 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.487 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 48.3 Cg_endo -74.37 -46.01 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.2 1.105 . . . . 0.0 110.046 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.84 -163.69 0.1 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.441 -0.787 . . . . 0.0 110.196 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -133.12 41.64 3.11 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.261 -0.899 . . . . 0.0 110.212 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 9.2 ptm -60.02 -32.46 70.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.343 -0.848 . . . . 0.0 110.219 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.422 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 3.0 m -157.23 166.38 16.76 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.144 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' B' ' 21' ' ' ALA . 46.8 Cg_endo -85.35 17.5 1.75 Allowed 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.674 1.355 . . . . 0.0 111.697 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.21 -67.55 0.11 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.272 -0.892 . . . . 0.0 111.536 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.92 -45.62 15.52 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.233 -0.917 . . . . 0.0 110.999 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 9.3 mp -80.55 -47.4 14.25 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.307 -0.87 . . . . 0.0 109.514 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.422 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 10.7 tt0 -52.54 -54.96 25.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.674 -0.641 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -62.54 -46.73 87.06 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -58.11 -51.72 68.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 110.308 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.48 -58.19 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.908 . . . . 0.0 110.22 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -60.74 -27.83 68.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.323 -0.861 . . . . 0.0 110.323 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -80.15 -40.79 26.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.28 -0.887 . . . . 0.0 110.313 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.446 ' CB ' ' CD2' ' B' ' 52' ' ' LEU . 39.9 mt -72.83 -36.63 67.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.26 -0.9 . . . . 0.0 110.371 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -46.67 70.4 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.292 -0.88 . . . . 0.0 110.087 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.32 -34.75 63.59 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.421 ' HA ' ' NE2' ' B' ' 35' ' ' GLN . 22.2 tp -67.92 -37.61 81.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.245 -1.15 . . . . 0.0 110.058 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' MET . . . . . 0.412 ' HG3' ' HB ' ' B' ' 48' ' ' ILE . 2.5 ttp -67.14 -23.57 65.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.385 -0.822 . . . . 0.0 110.212 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.09 -57.92 3.4 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.619 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' B' ' 32' ' ' LEU . 8.0 pt20 -49.86 -33.54 17.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.185 -0.947 . . . . 0.0 110.418 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.486 ' CB ' ' CB ' ' B' ' 45' ' ' ALA . 33.8 m-70 -80.2 -56.98 3.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 110.058 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.401 ' HA ' ' HB3' ' B' ' 42' ' ' PHE . . . -49.0 -27.35 3.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.237 -0.914 . . . . 0.0 109.992 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -78.19 -39.37 40.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.413 -0.804 . . . . 0.0 109.499 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -95.51 28.84 2.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.488 -0.757 . . . . 0.0 109.553 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp 55.1 27.54 9.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.496 -0.752 . . . . 0.0 110.556 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.441 ' HB3' ' CB ' ' B' ' 36' ' ' HIS . 0.0 OUTLIER -101.66 15.01 30.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.237 -0.914 . . . . 0.0 109.993 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 5.1 p90 -58.81 -13.65 6.74 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 0.0 111.303 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -49.46 -62.84 1.33 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.601 -1.312 . . . . 0.0 109.508 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 3.9 pt-20 -82.8 -19.83 36.94 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.049 -1.032 . . . . 0.0 109.642 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.486 ' CB ' ' CB ' ' B' ' 36' ' ' HIS . . . -79.07 -58.69 3.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.506 -0.746 . . . . 0.0 111.517 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.502 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -42.49 -28.41 0.21 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.471 -0.768 . . . . 0.0 111.18 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.69 -31.21 70.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.071 -1.018 . . . . 0.0 109.686 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.412 ' HB ' ' HG3' ' B' ' 33' ' ' MET . 95.8 mt -53.63 -32.37 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 0.0 109.401 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -46.84 -34.18 5.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.674 -0.641 . . . . 0.0 109.702 179.043 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' B' ' 49' ' ' ARG . 31.1 t70 -67.0 -39.46 87.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.339 -0.851 . . . . 0.0 109.082 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.412 ' O ' ' CD1' ' B' ' 55' ' ' LEU . 20.6 mt-30 -80.19 -33.65 38.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.454 -0.779 . . . . 0.0 109.471 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.446 ' CD2' ' CB ' ' B' ' 29' ' ' LEU . 0.5 OUTLIER -67.3 -37.08 82.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.475 -0.766 . . . . 0.0 109.9 179.694 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -78.04 -49.02 14.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.38 -0.825 . . . . 0.0 110.074 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.93 -36.03 71.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.239 -0.913 . . . . 0.0 110.053 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.412 ' CD1' ' O ' ' B' ' 51' ' ' GLN . 4.5 mt -69.98 -27.16 64.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 0.0 110.131 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -53.98 43.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.29 -0.882 . . . . 0.0 110.158 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.24 -30.63 68.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -0.878 . . . . 0.0 110.044 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 26.4 mt -69.32 -20.0 63.88 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.278 -0.889 . . . . 0.0 110.261 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -52.15 -29.35 21.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.113 -0.992 . . . . 0.0 110.237 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 48.9 mm -75.69 -39.61 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.243 -0.91 . . . . 0.0 110.223 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.38 -25.45 64.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.279 -0.888 . . . . 0.0 110.132 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.54 -67.84 0.83 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.242 -0.911 . . . . 0.0 110.206 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.183 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.238 0.542 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 53.12 87.38 0.14 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.264 -0.897 . . . . 0.0 110.194 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.2 Cg_endo -73.14 -53.41 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.702 1.369 . . . . 0.0 110.436 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.6 -80.67 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.421 -0.799 . . . . 0.0 110.425 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' PRO . 5.1 p-10 -143.95 28.23 1.42 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.237 -0.915 . . . . 0.0 110.171 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.482 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 2.2 t -85.57 -48.38 0.58 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.264 -0.898 . . . . 0.0 110.163 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 13' ' ' VAL . 43.2 Cg_endo -81.87 -74.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.365 1.192 . . . . 0.0 110.249 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.74 122.78 0.15 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.17 -0.957 . . . . 0.0 110.211 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -97.28 34.21 1.83 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.245 -0.91 . . . . 0.0 110.141 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.7 ptm -59.69 -32.29 70.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.217 -0.927 . . . . 0.0 110.206 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.435 ' HB2' ' N ' ' A' ' 23' ' ' GLN . 10.7 p -141.52 140.34 20.28 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 110.098 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 21' ' ' ALA . 47.6 Cg_endo -74.85 61.92 5.63 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.642 1.338 . . . . 0.0 111.1 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' CD ' ' C ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 61.49 -69.44 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.695 -0.628 . . . . 0.0 111.218 179.054 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -44.86 -48.11 11.12 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.287 -0.883 . . . . 0.0 110.709 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.493 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 7.3 mp -80.59 -30.45 36.9 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.302 -0.874 . . . . 0.0 108.9 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.435 ' N ' ' HB2' ' A' ' 18' ' ' SER . 27.4 tt0 -57.0 -46.57 82.18 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.097 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -39.06 63.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.927 . . . . 0.0 110.105 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -48.52 74.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 0.0 110.137 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.426 HG21 ' CD1' ' A' ' 52' ' ' LEU . 76.7 mt -63.15 -45.81 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.354 -0.841 . . . . 0.0 110.067 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -67.32 -21.71 65.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 0.0 110.162 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -47.47 44.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 0.0 110.26 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.1 mt -71.72 -41.0 69.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.23 -0.919 . . . . 0.0 110.192 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.19 -47.64 74.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.34 -0.85 . . . . 0.0 110.101 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.31 -24.43 55.59 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 tp -71.2 -35.98 71.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.266 -1.138 . . . . 0.0 110.121 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.49 ' HE2' ' CZ ' ' B' ' 42' ' ' PHE . 5.2 mtp -63.53 -51.38 65.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.175 -0.953 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.2 mtp -50.01 -51.03 45.07 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.346 -0.847 . . . . 0.0 110.693 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.0 -78.44 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.152 -0.967 . . . . 0.0 110.538 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.459 ' CD2' ' HB3' ' A' ' 45' ' ' ALA . 69.0 m-70 -50.29 -54.39 21.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.243 -0.911 . . . . 0.0 110.532 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 33' ' ' MET . . . -46.66 -33.59 4.37 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.349 -0.845 . . . . 0.0 110.274 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -80.12 -33.7 38.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.384 -0.822 . . . . 0.0 109.483 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -94.64 24.71 4.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.462 -0.774 . . . . 0.0 109.694 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' CD2' ' HE3' ' B' ' 33' ' ' MET . 2.3 mp 55.31 40.47 31.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.518 -0.738 . . . . 0.0 110.72 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -120.07 17.31 12.46 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.238 -0.914 . . . . 0.0 109.8 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.532 ' CE1' ' CB ' ' B' ' 46' ' ' ALA . 5.4 p90 -59.95 -9.92 3.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.492 -0.755 . . . . 0.0 111.93 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -50.51 -65.86 0.49 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.476 -1.39 . . . . 0.0 109.156 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -81.84 -18.63 43.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.449 -0.782 . . . . 0.0 109.841 178.207 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.459 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . . . -80.9 -46.0 15.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.149 -0.969 . . . . 0.0 112.093 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.532 ' CB ' ' CE1' ' B' ' 42' ' ' PHE . . . -54.11 -38.11 65.04 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.065 -1.022 . . . . 0.0 111.825 -178.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -51.45 -24.42 4.99 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.675 -1.266 . . . . 0.0 109.809 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.422 HD12 ' NE2' ' A' ' 47' ' ' GLN . 35.7 mm -55.58 -30.7 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.301 -0.874 . . . . 0.0 109.21 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -52.09 -28.69 18.51 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -0.826 . . . . 0.0 109.407 179.179 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -44.58 75.67 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -67.86 -31.21 70.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.367 -0.833 . . . . 0.0 109.372 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.426 ' CD1' HG21 ' A' ' 26' ' ' ILE . 1.6 mm? -68.08 -43.23 79.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.369 -0.832 . . . . 0.0 109.842 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -78.27 -34.89 48.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.331 -0.856 . . . . 0.0 110.028 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.64 -41.13 96.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.316 -0.865 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mp -64.27 -19.92 65.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.922 . . . . 0.0 110.092 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -56.61 -59.7 4.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.919 . . . . 0.0 110.461 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -60.26 -23.52 64.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.199 -0.938 . . . . 0.0 110.235 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -19.95 50.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 110.229 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -50.98 -46.43 61.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.17 -0.956 . . . . 0.0 110.397 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.9 -40.16 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.25 -0.906 . . . . 0.0 110.057 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.22 -21.56 66.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.839 . . . . 0.0 110.148 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.71 -64.52 1.04 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.254 -0.904 . . . . 0.0 110.193 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.201 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.25 0.547 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 52.99 87.35 0.14 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.271 -0.893 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.4 Cg_endo -73.05 -53.47 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.793 1.417 . . . . 0.0 110.47 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.58 -80.73 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.393 -0.817 . . . . 0.0 110.414 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' B' ' 10' ' ' PRO . 5.0 p-10 -143.92 28.32 1.42 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.202 -0.936 . . . . 0.0 110.159 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.492 ' N ' ' CD ' ' B' ' 14' ' ' PRO . 2.2 t -85.64 -48.36 0.57 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.252 -0.905 . . . . 0.0 110.121 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.492 ' CD ' ' N ' ' B' ' 13' ' ' VAL . 43.7 Cg_endo -81.81 -74.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.372 1.196 . . . . 0.0 110.315 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.74 122.79 0.15 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.125 -0.984 . . . . 0.0 110.213 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -97.26 34.13 1.84 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.0 110.153 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 8.7 ptm -59.63 -32.29 70.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 0.0 110.23 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.432 ' HB2' ' N ' ' B' ' 23' ' ' GLN . 10.6 p -141.49 140.32 20.29 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.295 -0.878 . . . . 0.0 110.132 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' B' ' 21' ' ' ALA . 48.0 Cg_endo -74.82 61.95 5.6 Favored 'Trans proline' 0 C--N 1.312 -1.353 0 O-C-N 123.554 1.291 . . . . 0.0 111.136 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.404 ' CD ' ' C ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 61.44 -69.42 0.05 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 O-C-N 121.735 -0.603 . . . . 0.0 111.245 179.082 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -44.83 -48.17 11.03 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.365 -0.834 . . . . 0.0 110.702 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.493 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 7.3 mp -80.53 -30.46 37.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.234 -0.916 . . . . 0.0 108.948 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.432 ' N ' ' HB2' ' B' ' 18' ' ' SER . 27.4 tt0 -56.99 -46.47 82.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.62 -0.675 . . . . 0.0 110.157 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -39.08 63.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.132 -0.98 . . . . 0.0 110.104 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -48.61 73.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.266 -0.896 . . . . 0.0 110.177 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.416 HG21 ' CD1' ' B' ' 52' ' ' LEU . 77.2 mt -63.12 -45.72 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 110.179 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -67.33 -21.69 65.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.263 -0.898 . . . . 0.0 110.222 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.95 -47.57 44.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.915 . . . . 0.0 110.207 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 44.3 mt -71.69 -40.95 69.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.251 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.18 -47.58 75.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 110.175 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.37 -24.5 55.97 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 tp -71.12 -35.92 71.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -1.154 . . . . 0.0 110.181 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' MET . . . . . 0.481 ' HE2' ' CZ ' ' A' ' 42' ' ' PHE . 5.0 mtp -63.59 -51.46 65.23 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 3.2 mtp -49.99 -50.94 45.41 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.274 -0.891 . . . . 0.0 110.696 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -78.49 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.199 -0.938 . . . . 0.0 110.504 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.464 ' CD2' ' HB3' ' B' ' 45' ' ' ALA . 69.1 m-70 -50.28 -54.3 22.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.248 -0.907 . . . . 0.0 110.613 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' B' ' 33' ' ' MET . . . -46.71 -33.57 4.42 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.404 -0.81 . . . . 0.0 110.304 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -80.11 -33.64 38.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -0.894 . . . . 0.0 109.509 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -94.69 24.7 4.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.383 -0.823 . . . . 0.0 109.589 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.428 ' CD2' ' HE3' ' A' ' 33' ' ' MET . 2.3 mp 55.37 40.31 31.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.484 -0.76 . . . . 0.0 110.742 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -120.03 17.51 12.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.25 -0.906 . . . . 0.0 109.815 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.532 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 5.4 p90 -60.01 -9.97 3.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.467 -0.771 . . . . 0.0 111.912 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -50.57 -65.78 0.5 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.449 -1.407 . . . . 0.0 109.144 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER -81.95 -18.58 43.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.757 . . . . 0.0 109.833 178.236 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.464 ' HB3' ' CD2' ' B' ' 36' ' ' HIS . . . -80.97 -45.94 15.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.143 -0.973 . . . . 0.0 112.128 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.532 ' CB ' ' CE1' ' A' ' 42' ' ' PHE . . . -54.07 -38.09 64.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.167 -0.958 . . . . 0.0 111.852 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' B' ' 44' ' ' GLU . 0.0 OUTLIER -51.44 -24.48 5.03 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.654 -1.279 . . . . 0.0 109.766 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.418 HD12 ' NE2' ' B' ' 47' ' ' GLN . 35.8 mm -55.53 -30.7 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.324 -0.86 . . . . 0.0 109.141 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.1 OUTLIER -52.01 -28.87 18.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.345 -0.847 . . . . 0.0 109.42 179.147 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -44.52 75.96 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -67.93 -31.27 70.91 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.389 -0.819 . . . . 0.0 109.312 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.416 ' CD1' HG21 ' B' ' 26' ' ' ILE . 1.6 mm? -67.95 -43.3 79.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.78 . . . . 0.0 109.897 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -78.19 -34.94 49.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.884 . . . . 0.0 110.113 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.66 -41.1 96.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.215 -0.928 . . . . 0.0 110.069 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mp -64.2 -19.88 65.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.227 -0.92 . . . . 0.0 110.178 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -56.7 -59.54 4.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.254 -0.904 . . . . 0.0 110.495 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -60.43 -23.44 64.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.121 -0.987 . . . . 0.0 110.28 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -19.92 50.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.231 -0.918 . . . . 0.0 110.283 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -51.03 -46.26 61.55 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.193 -0.942 . . . . 0.0 110.449 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.97 -40.17 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 0.0 110.11 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.53 66.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.882 . . . . 0.0 110.186 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.75 -64.46 1.04 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 110.209 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.21 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.243 0.544 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 53.07 81.01 0.27 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.299 -0.876 . . . . 0.0 110.212 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.1 Cg_endo -72.83 -49.9 0.23 Allowed 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.701 1.369 . . . . 0.0 110.468 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.3 -79.63 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.433 -0.792 . . . . 0.0 110.429 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 10' ' ' PRO . 1.6 p-10 -137.64 26.39 2.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.176 -0.953 . . . . 0.0 110.156 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.446 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 2.3 t -67.48 -58.98 7.68 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 0.0 109.802 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 13' ' ' VAL . 48.0 Cg_endo -74.09 -46.25 0.32 Allowed 'Trans proline' 0 C--N 1.31 -1.458 0 O-C-N 123.478 1.252 . . . . 0.0 110.086 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.78 -150.81 0.33 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.455 -0.778 . . . . 0.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.0 49.21 1.86 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.931 . . . . 0.0 110.168 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.4 ' HG3' ' N ' ' A' ' 18' ' ' SER . 9.4 ptp -54.43 -40.24 68.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.253 -0.904 . . . . 0.0 110.161 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.4 ' N ' ' HG3' ' A' ' 17' ' ' MET . 4.7 m -65.76 160.08 64.19 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.295 -0.878 . . . . 0.0 110.136 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' ALA . 47.5 Cg_endo -85.71 20.0 1.3 Allowed 'Trans proline' 0 C--N 1.313 -1.337 0 O-C-N 123.754 1.397 . . . . 0.0 111.654 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.65 -67.43 0.12 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.245 -0.909 . . . . 0.0 111.444 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.49 -46.2 18.87 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.113 -0.992 . . . . 0.0 110.9 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.485 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 9.9 mp -80.55 -43.18 21.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.228 -0.92 . . . . 0.0 109.368 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -51.68 -53.12 42.46 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.723 -0.61 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -71.05 -33.35 70.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.229 -0.919 . . . . 0.0 110.138 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -51.58 43.91 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.231 -0.918 . . . . 0.0 110.153 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.421 HG22 ' CD1' ' A' ' 52' ' ' LEU . 95.3 mt -59.71 -50.96 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.0 110.181 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -62.4 -33.36 74.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.339 -0.851 . . . . 0.0 110.254 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -80.03 -40.33 28.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.305 -0.872 . . . . 0.0 110.301 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 mt -71.08 -34.69 71.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 110.375 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.46 -41.58 97.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.212 -0.93 . . . . 0.0 110.315 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.06 -22.93 62.39 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.34 -22.02 66.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.277 -1.131 . . . . 0.0 110.333 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.478 ' CE ' ' CD2' ' B' ' 40' ' ' LEU . 3.3 mtp -65.46 -56.58 11.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.0 110.345 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -34.72 41.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.225 -0.922 . . . . 0.0 110.212 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -74.92 0.07 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.345 -0.847 . . . . 0.0 110.199 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.463 ' CE1' ' OE1' ' A' ' 44' ' ' GLU . 82.4 m-70 -51.71 -45.93 63.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 0.0 110.361 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.425 ' N ' ' HB3' ' A' ' 45' ' ' ALA . . . -53.55 -39.0 64.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.047 -1.033 . . . . 0.0 109.131 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -66.75 -34.0 76.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.384 -0.823 . . . . 0.0 109.269 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -85.33 7.23 23.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.504 -0.748 . . . . 0.0 109.635 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD2' ' CE ' ' B' ' 33' ' ' MET . 0.3 OUTLIER 64.85 17.7 11.13 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.324 -0.86 . . . . 0.0 111.222 179.707 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' GLU . 15.6 mm-40 -65.14 -51.03 63.65 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.531 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 1.5 m-85 62.21 -57.14 0.13 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' GLU . 33.0 tt0 -46.76 -60.4 2.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.974 -1.079 . . . . 0.0 109.715 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 16.3 pt-20 -81.13 -19.08 44.29 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.525 -0.734 . . . . 0.0 110.294 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.438 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -81.0 -51.03 8.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.055 -1.028 . . . . 0.0 111.695 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.532 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -80.35 -19.46 46.37 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.269 -0.894 . . . . 0.0 111.134 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -70.1 -20.54 63.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.819 -1.176 . . . . 0.0 109.974 179.435 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.06 -27.58 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.265 -0.897 . . . . 0.0 110.628 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -53.39 -27.0 21.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.059 -1.026 . . . . 0.0 110.143 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.77 -36.54 36.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 0.0 109.988 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.409 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 30.4 mt-30 -74.2 -32.67 63.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.871 . . . . 0.0 110.005 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.421 ' CD1' HG22 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -69.03 -51.07 42.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.277 -0.89 . . . . 0.0 110.033 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -68.22 -37.56 80.98 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.308 -0.87 . . . . 0.0 110.042 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -70.5 -41.98 71.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.277 -0.889 . . . . 0.0 110.109 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 51' ' ' GLN . 6.2 mt -56.73 -31.22 64.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.282 -0.886 . . . . 0.0 110.097 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -53.57 56.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -0.891 . . . . 0.0 110.161 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.82 -44.46 77.92 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.202 -0.936 . . . . 0.0 110.059 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.3 mt -58.06 -23.95 56.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.365 -0.834 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -53.21 -38.6 63.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.162 -0.961 . . . . 0.0 110.215 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.9 mm -78.13 -36.7 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.162 -0.961 . . . . 0.0 110.158 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.27 66.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.901 . . . . 0.0 110.25 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.13 -65.99 0.97 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 110.227 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.209 179.928 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.196 0.522 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 53.1 80.98 0.27 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.875 . . . . 0.0 110.262 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' B' ' 12' ' ' ASN . 45.5 Cg_endo -72.83 -49.88 0.23 Allowed 'Trans proline' 0 C--N 1.312 -1.395 0 O-C-N 123.735 1.387 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.26 -79.65 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.459 -0.776 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' B' ' 10' ' ' PRO . 1.6 p-10 -137.58 26.34 2.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.245 -0.909 . . . . 0.0 110.128 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.449 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -67.51 -58.87 7.83 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.24 -0.912 . . . . 0.0 109.805 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.449 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 48.0 Cg_endo -74.16 -46.28 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.425 1.224 . . . . 0.0 110.047 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.87 -150.87 0.33 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.478 -0.764 . . . . 0.0 110.26 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.97 49.26 1.86 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 0.0 110.191 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' B' ' 18' ' ' SER . 9.4 ptp -54.39 -40.13 67.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.329 -0.857 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' B' ' 17' ' ' MET . 4.8 m -65.76 160.2 63.36 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.246 -0.909 . . . . 0.0 110.099 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' B' ' 21' ' ' ALA . 47.5 Cg_endo -85.83 20.0 1.3 Allowed 'Trans proline' 0 C--N 1.313 -1.323 0 O-C-N 123.642 1.338 . . . . 0.0 111.592 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.71 -67.34 0.12 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.211 -0.93 . . . . 0.0 111.412 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.63 -46.08 19.53 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.197 -0.939 . . . . 0.0 110.922 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 10.0 mp -80.67 -43.19 20.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.906 . . . . 0.0 109.294 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -51.66 -53.1 42.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.682 -0.636 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -70.96 -33.47 70.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.234 -0.917 . . . . 0.0 110.133 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -51.53 44.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.293 -0.88 . . . . 0.0 110.141 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.421 HG22 ' CD1' ' B' ' 52' ' ' LEU . 95.3 mt -59.67 -51.08 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.887 . . . . 0.0 110.199 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -62.31 -33.34 74.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.311 -0.868 . . . . 0.0 110.228 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -80.05 -40.31 28.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.228 -0.92 . . . . 0.0 110.336 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 38.3 mt -71.12 -34.75 71.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.206 -0.934 . . . . 0.0 110.314 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.47 -41.53 97.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.23 -0.919 . . . . 0.0 110.323 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.05 -22.97 62.33 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.29 -22.1 66.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.142 -1.211 . . . . 0.0 110.355 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' MET . . . . . 0.47 ' CE ' ' CD2' ' A' ' 40' ' ' LEU . 3.3 mtp -65.36 -56.63 11.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.212 -0.93 . . . . 0.0 110.306 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -34.71 41.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -74.93 0.07 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.334 -0.854 . . . . 0.0 110.174 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.465 ' CE1' ' OE1' ' B' ' 44' ' ' GLU . 82.4 m-70 -51.73 -45.9 63.81 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.157 -0.965 . . . . 0.0 110.366 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.425 ' N ' ' HB3' ' B' ' 45' ' ' ALA . . . -53.53 -39.04 64.36 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.1 -1.0 . . . . 0.0 109.146 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -66.74 -34.01 76.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.46 -0.775 . . . . 0.0 109.278 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -85.34 7.32 22.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.427 -0.796 . . . . 0.0 109.697 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.478 ' CD2' ' CE ' ' A' ' 33' ' ' MET . 0.3 OUTLIER 64.85 17.71 11.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.307 -0.87 . . . . 0.0 111.219 179.644 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 43' ' ' GLU . 15.6 mm-40 -65.09 -51.06 63.57 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.532 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 1.5 m-85 62.02 -57.02 0.13 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 178.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 41' ' ' GLU . 33.0 tt0 -46.76 -60.44 2.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.997 -1.064 . . . . 0.0 109.745 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.465 ' OE1' ' CE1' ' B' ' 36' ' ' HIS . 16.3 pt-20 -81.09 -19.03 44.54 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.606 -0.684 . . . . 0.0 110.354 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.439 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.99 -51.09 8.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.031 -1.043 . . . . 0.0 111.645 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.531 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -80.38 -19.45 46.31 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.197 -0.939 . . . . 0.0 111.093 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -70.1 -20.56 63.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.885 -1.135 . . . . 0.0 109.972 179.439 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 83.9 mt -68.1 -27.56 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.254 -0.904 . . . . 0.0 110.652 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 1.0 OUTLIER -53.3 -27.05 21.01 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.051 -1.031 . . . . 0.0 110.229 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -36.49 37.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 0.0 109.949 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.416 ' O ' ' CD1' ' B' ' 55' ' ' LEU . 30.5 mt-30 -74.32 -32.62 62.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 109.985 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.421 ' CD1' HG22 ' B' ' 26' ' ' ILE . 0.3 OUTLIER -69.05 -51.03 43.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.361 -0.837 . . . . 0.0 110.072 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -68.19 -37.55 81.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 0.0 110.079 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -70.45 -42.11 71.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.0 110.127 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' B' ' 51' ' ' GLN . 6.2 mt -56.57 -31.25 64.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 0.0 110.205 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -53.74 53.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.314 -0.866 . . . . 0.0 110.065 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -55.8 -44.44 77.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.913 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 54.8 mt -58.12 -23.83 56.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -0.91 . . . . 0.0 110.232 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -53.31 -38.58 63.29 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.249 -0.907 . . . . 0.0 110.203 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -78.01 -36.8 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.224 -0.922 . . . . 0.0 110.17 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.26 66.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.225 -0.922 . . . . 0.0 110.217 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.16 -65.96 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.305 -0.872 . . . . 0.0 110.186 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.209 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.228 0.537 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -171.68 61.72 0.33 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.256 -0.902 . . . . 0.0 110.249 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.1 Cg_endo -72.8 -49.18 0.26 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.659 1.347 . . . . 0.0 110.282 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 57.39 -83.4 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.686 -0.634 . . . . 0.0 110.635 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 10' ' ' PRO . 6.9 p30 -134.71 42.5 2.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.144 -0.973 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.624 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 8.9 p -76.95 -25.14 0.49 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.894 . . . . 0.0 112.632 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 13' ' ' VAL . 51.0 Cg_endo -84.78 -58.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.325 -0.709 0 N-CA-C 110.008 -0.805 . . . . 0.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ptp -175.86 167.79 3.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.387 -0.82 . . . . 0.0 110.154 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.52 74.77 0.05 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.259 -0.901 . . . . 0.0 110.125 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.412 ' HG3' ' N ' ' A' ' 18' ' ' SER . 3.5 ptt? -58.97 -27.06 65.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.261 -0.899 . . . . 0.0 110.397 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 17' ' ' MET . 0.8 OUTLIER -96.33 161.7 26.08 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.216 -0.927 . . . . 0.0 110.315 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' ALA . 49.8 Cg_endo -85.25 14.9 2.34 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 O-C-N 123.641 1.337 . . . . 0.0 111.548 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 66.39 -63.02 0.26 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.307 -0.87 . . . . 0.0 110.911 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.19 -46.97 24.25 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.157 -0.964 . . . . 0.0 110.356 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.473 ' CD1' ' CD1' ' A' ' 26' ' ' ILE . 4.3 tp -77.08 -60.28 2.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.351 -0.843 . . . . 0.0 109.37 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 49.1 tt0 -47.0 -33.95 5.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.466 -0.772 . . . . 0.0 110.504 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -73.27 -36.12 66.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 109.977 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -46.8 61.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 110.111 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.473 ' CD1' ' CD1' ' A' ' 22' ' ' LEU . 58.8 mt -56.44 -55.39 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.301 -0.874 . . . . 0.0 110.136 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -55.74 -28.84 57.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.279 -0.888 . . . . 0.0 110.204 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.41 -40.97 41.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 110.189 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.457 ' CB ' ' CD2' ' A' ' 52' ' ' LEU . 86.8 mt -77.41 -42.22 37.04 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 110.212 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -37.56 84.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.221 -0.924 . . . . 0.0 110.133 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.76 -25.08 76.34 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.36 -40.63 70.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.254 -1.145 . . . . 0.0 110.103 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.48 ' HE2' ' CZ ' ' B' ' 42' ' ' PHE . 11.8 mtp -53.96 -49.62 68.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.197 -0.94 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' B' ' 38' ' ' GLN . 4.1 mtp -51.92 -44.25 63.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.296 -0.877 . . . . 0.0 110.466 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.148 -0.97 . . . . 0.0 110.501 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.466 ' CB ' ' CB ' ' A' ' 45' ' ' ALA . 4.6 m170 -54.07 -50.62 66.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.909 . . . . 0.0 110.394 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' B' ' 37' ' ' ALA . . . -47.23 -33.56 5.56 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.439 -0.788 . . . . 0.0 110.205 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -79.1 -34.06 43.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 109.443 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -94.33 23.45 5.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.46 -0.775 . . . . 0.0 109.742 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.471 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 5.0 mp 55.76 27.81 11.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.514 -0.741 . . . . 0.0 110.734 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 28.7 mm-40 -106.34 18.11 22.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.305 -0.872 . . . . 0.0 109.887 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.504 ' CE1' ' CB ' ' B' ' 46' ' ' ALA . 5.0 p90 -60.52 -8.89 3.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.424 -0.798 . . . . 0.0 111.969 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -49.81 -67.13 0.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.428 -1.42 . . . . 0.0 109.316 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 3.2 pt-20 -81.9 -19.57 40.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.549 -0.719 . . . . 0.0 109.733 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' CB ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.63 -48.98 15.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.424 -0.798 . . . . 0.0 111.522 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.532 ' CB ' ' CE1' ' B' ' 42' ' ' PHE . . . -51.62 -23.37 4.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.11 -0.994 . . . . 0.0 110.509 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -52.57 -34.03 48.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.951 -1.093 . . . . 0.0 109.83 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.427 ' CG2' ' HB3' ' A' ' 29' ' ' LEU . 70.5 mt -53.11 -27.46 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.358 -0.839 . . . . 0.0 109.204 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -50.89 -34.5 28.49 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.57 -0.706 . . . . 0.0 109.524 179.121 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 4.9 t0 -70.28 -33.83 72.05 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.813 . . . . 0.0 109.757 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -79.01 -40.35 31.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.286 -0.884 . . . . 0.0 109.95 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.457 ' CD2' ' CB ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -61.2 -42.36 98.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.273 -0.892 . . . . 0.0 110.21 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.13 -41.23 95.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.217 -0.927 . . . . 0.0 110.297 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -42.62 60.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.235 -0.916 . . . . 0.0 110.31 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -22.87 65.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.187 -0.945 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -71.69 -54.42 10.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.28 -0.888 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 3.4 pt-20 -58.48 -22.48 55.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.27 -0.894 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -71.25 -19.89 62.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.249 -0.907 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.427 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 24.9 t80 -51.18 -42.15 60.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.241 -0.912 . . . . 0.0 110.464 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.9 -34.4 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.277 -0.89 . . . . 0.0 110.141 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.62 -22.11 66.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.256 -0.903 . . . . 0.0 110.128 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.27 -58.87 2.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.195 -0.94 . . . . 0.0 110.179 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.187 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.173 0.511 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -171.65 61.67 0.33 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.323 -0.861 . . . . 0.0 110.29 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.8 Cg_endo -72.7 -49.31 0.26 Allowed 'Trans proline' 0 C--N 1.31 -1.472 0 O-C-N 123.753 1.396 . . . . 0.0 110.332 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 57.46 -83.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.64 -0.663 . . . . 0.0 110.563 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' B' ' 10' ' ' PRO . 7.0 p30 -134.65 42.46 2.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.11 -0.994 . . . . 0.0 110.316 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.631 ' N ' ' CD ' ' B' ' 14' ' ' PRO . 8.9 p -76.97 -25.05 0.49 Allowed Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.289 -0.882 . . . . 0.0 112.71 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' B' ' 13' ' ' VAL . 50.6 Cg_endo -84.83 -59.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.73 0 N-CA-C 109.919 -0.839 . . . . 0.0 109.919 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ptp -175.87 167.75 3.06 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.323 -0.861 . . . . 0.0 110.158 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.54 74.83 0.05 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.266 -0.896 . . . . 0.0 110.144 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' B' ' 18' ' ' SER . 3.5 ptt? -58.99 -27.04 65.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.355 -0.841 . . . . 0.0 110.433 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' B' ' 17' ' ' MET . 0.8 OUTLIER -96.38 161.75 25.88 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.203 -0.935 . . . . 0.0 110.296 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' B' ' 21' ' ' ALA . 49.7 Cg_endo -85.23 14.91 2.34 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.71 1.373 . . . . 0.0 111.546 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' B' ' 19' ' ' PRO . 0.4 OUTLIER 66.29 -62.96 0.26 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.32 -0.863 . . . . 0.0 110.915 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.16 -47.03 23.91 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.121 -0.987 . . . . 0.0 110.407 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.475 ' CD1' ' CD1' ' B' ' 26' ' ' ILE . 4.3 tp -77.07 -60.36 2.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.859 . . . . 0.0 109.358 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.411 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 49.1 tt0 -46.9 -33.9 4.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.569 -0.707 . . . . 0.0 110.561 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -73.23 -36.14 66.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.006 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -46.77 61.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.089 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.475 ' CD1' ' CD1' ' B' ' 22' ' ' LEU . 59.1 mt -56.38 -55.46 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -0.944 . . . . 0.0 110.104 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -55.73 -28.85 58.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.206 -0.934 . . . . 0.0 110.195 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.38 -40.92 42.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.0 110.218 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.457 ' CB ' ' CD2' ' B' ' 52' ' ' LEU . 87.1 mt -77.38 -42.4 36.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.19 -0.944 . . . . 0.0 110.175 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -37.47 84.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.261 -0.9 . . . . 0.0 110.145 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.9 -25.14 76.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.21 -40.58 71.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.163 -1.198 . . . . 0.0 110.17 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' MET . . . . . 0.48 ' HE2' ' CZ ' ' A' ' 42' ' ' PHE . 11.9 mtp -54.1 -49.65 68.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.905 . . . . 0.0 110.236 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 4.1 mtp -51.68 -44.35 63.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -77.99 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.199 -0.938 . . . . 0.0 110.452 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.467 ' CB ' ' CB ' ' B' ' 45' ' ' ALA . 4.5 m170 -54.11 -50.74 66.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.199 -0.938 . . . . 0.0 110.358 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.42 ' HB3' ' HB1' ' A' ' 37' ' ' ALA . . . -47.24 -33.28 5.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.375 -0.828 . . . . 0.0 110.18 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.419 ' O ' ' CE ' ' A' ' 34' ' ' MET . 1.8 mt-30 -79.3 -34.2 42.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.222 -0.924 . . . . 0.0 109.493 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -94.22 23.41 5.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.395 -0.815 . . . . 0.0 109.732 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.465 ' N ' ' CD1' ' B' ' 40' ' ' LEU . 5.0 mp 55.85 27.87 11.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.464 -0.773 . . . . 0.0 110.709 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.401 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 28.9 mm-40 -106.48 18.09 22.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.197 -0.939 . . . . 0.0 109.94 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.532 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 4.7 p90 -60.38 -9.11 3.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.461 -0.774 . . . . 0.0 111.896 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -49.7 -67.17 0.28 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.473 -1.392 . . . . 0.0 109.204 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 3.2 pt-20 -81.87 -19.55 40.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.491 -0.756 . . . . 0.0 109.717 178.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.467 ' CB ' ' CB ' ' B' ' 36' ' ' HIS . . . -77.76 -49.29 14.69 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.433 -0.792 . . . . 0.0 111.55 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.504 ' CB ' ' CE1' ' A' ' 42' ' ' PHE . . . -51.44 -23.43 3.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 110.41 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.41 -34.08 46.64 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.98 -1.075 . . . . 0.0 109.778 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' B' ' 29' ' ' LEU . 70.4 mt -53.06 -27.46 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.303 -0.873 . . . . 0.0 109.199 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.429 ' CZ ' ' HA ' ' B' ' 50' ' ' ASP . 0.1 OUTLIER -50.94 -34.56 29.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.475 -0.765 . . . . 0.0 109.47 179.153 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.429 ' HA ' ' CZ ' ' B' ' 49' ' ' ARG . 4.9 t0 -70.19 -33.8 72.17 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.791 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -79.02 -40.38 31.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 0.0 109.93 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.457 ' CD2' ' CB ' ' B' ' 29' ' ' LEU . 0.8 OUTLIER -61.32 -42.19 98.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.307 -0.87 . . . . 0.0 110.218 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.24 -41.17 94.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.332 -0.855 . . . . 0.0 110.316 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -42.61 60.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.213 -0.93 . . . . 0.0 110.282 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -22.87 65.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.263 -0.898 . . . . 0.0 110.216 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -71.63 -54.47 10.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.187 -0.946 . . . . 0.0 110.207 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 3.4 pt-20 -58.53 -22.48 55.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.223 -0.923 . . . . 0.0 110.25 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 0.4 OUTLIER -71.23 -19.9 62.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.299 -0.875 . . . . 0.0 110.329 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . 0.427 ' HA ' ' CD2' ' B' ' 22' ' ' LEU . 24.7 t80 -51.09 -42.29 60.53 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.123 -0.986 . . . . 0.0 110.43 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.87 -34.38 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.872 . . . . 0.0 110.168 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.63 -22.09 66.63 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.313 -0.867 . . . . 0.0 110.133 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.26 -58.87 2.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.257 -0.902 . . . . 0.0 110.228 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.194 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.236 0.541 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 1.8 pt-20 -159.55 54.6 0.66 Allowed Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.226 -0.921 . . . . 0.0 110.187 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.7 Cg_endo -72.93 -47.99 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.668 1.352 . . . . 0.0 110.417 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.36 -81.21 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.354 -0.841 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -156.49 23.19 0.35 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.207 -0.933 . . . . 0.0 110.211 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.466 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.5 t -82.65 -59.77 0.39 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.945 . . . . 0.0 110.342 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.466 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 49.2 Cg_endo -74.77 -52.26 0.11 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.331 1.174 . . . . 0.0 110.367 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.6 tpt 53.68 -162.6 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.39 -0.819 . . . . 0.0 110.069 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -165.29 70.9 0.16 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.108 -0.995 . . . . 0.0 110.383 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -178.87 -43.53 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.315 -0.865 . . . . 0.0 110.026 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -177.82 133.42 0.34 Allowed Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.278 -0.889 . . . . 0.0 109.64 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' ALA . 47.7 Cg_endo -79.25 53.52 4.75 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.472 1.249 . . . . 0.0 111.202 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.42 -67.01 0.12 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.406 -0.809 . . . . 0.0 111.563 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.39 -45.01 12.37 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.145 -0.972 . . . . 0.0 111.208 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 7.5 mp -80.43 -43.39 21.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.174 -0.954 . . . . 0.0 109.878 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -50.47 -42.5 54.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.594 -0.691 . . . . 0.0 110.656 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -80.05 -43.81 21.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.138 -0.976 . . . . 0.0 110.582 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -63.47 -34.78 78.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.231 -0.918 . . . . 0.0 110.494 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.0 mt -75.22 -51.48 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.964 . . . . 0.0 110.459 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -64.16 -23.57 67.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.167 -0.958 . . . . 0.0 110.423 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -80.1 -59.89 2.54 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.222 -0.924 . . . . 0.0 110.445 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.37 -29.92 50.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 110.479 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -56.52 10.42 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.922 . . . . 0.0 110.363 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.71 -22.18 59.22 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.16 -25.13 47.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.162 -1.199 . . . . 0.0 110.382 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -43.79 97.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.159 -0.963 . . . . 0.0 110.515 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -31.37 39.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.187 -0.946 . . . . 0.0 110.591 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -77.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.211 -0.931 . . . . 0.0 110.677 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.435 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 20.5 m170 -55.07 -50.56 68.83 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 0.0 110.523 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.26 -37.82 17.12 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.209 -0.932 . . . . 0.0 110.042 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -67.75 -33.32 74.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.0 109.391 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -92.12 19.32 6.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.405 -0.809 . . . . 0.0 109.636 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 mp 55.65 23.59 6.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.59 -46.01 70.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.19 -0.944 . . . . 0.0 108.966 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.525 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 2.4 m-85 48.25 -176.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.692 -0.63 . . . . 0.0 111.162 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 29.8 tt0 66.05 -62.71 0.25 Allowed 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.722 0.772 . . . . 0.0 108.957 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 42' ' ' PHE . 18.1 pt-20 -82.37 -33.04 28.93 Favored 'General case' 0 C--N 1.29 -2.004 0 O-C-N 121.789 -0.569 . . . . 0.0 109.834 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -80.68 -44.9 18.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.35 -0.844 . . . . 0.0 111.26 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.531 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -74.86 -19.63 60.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.169 -0.957 . . . . 0.0 111.07 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 12.2 mm-40 -77.16 -19.92 56.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.987 -1.071 . . . . 0.0 110.238 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.3 mt -70.59 -28.89 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.161 -0.962 . . . . 0.0 110.426 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -53.32 -27.33 22.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.099 -1.001 . . . . 0.0 109.924 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.41 -39.6 46.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -0.842 . . . . 0.0 109.885 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -73.73 -42.78 60.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.359 -0.838 . . . . 0.0 109.977 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -37.8 88.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.357 -0.839 . . . . 0.0 110.104 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -73.95 -34.57 64.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.278 -0.888 . . . . 0.0 110.141 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -80.45 -31.2 37.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.224 -0.923 . . . . 0.0 110.19 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.07 -31.38 67.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.3 -0.875 . . . . 0.0 110.742 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -58.45 -22.38 54.36 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.101 -1.0 . . . . 0.0 110.317 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -77.83 -38.26 46.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.261 -0.899 . . . . 0.0 109.972 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mt -57.02 -19.86 21.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.273 -0.892 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.432 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 46.5 t80 -50.04 -45.21 52.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.169 -0.957 . . . . 0.0 110.412 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mt -74.11 -34.6 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 0.0 110.206 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.58 -21.89 61.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 110.156 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.05 -61.75 1.34 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.242 -0.911 . . . . 0.0 110.228 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.215 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.281 0.562 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' B' ' 10' ' ' PRO . 1.8 pt-20 -159.53 54.67 0.67 Allowed Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.234 -0.916 . . . . 0.0 110.199 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.3 Cg_endo -72.99 -47.94 0.3 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.732 1.385 . . . . 0.0 110.415 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.36 -81.2 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.45 -0.781 . . . . 0.0 110.465 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' B' ' 10' ' ' PRO . 0.2 OUTLIER -156.58 23.29 0.34 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.248 -0.908 . . . . 0.0 110.159 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.472 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.5 t -82.72 -59.65 0.39 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.118 -0.989 . . . . 0.0 110.349 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.472 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 49.1 Cg_endo -74.79 -52.24 0.11 Allowed 'Trans proline' 0 C--N 1.313 -1.324 0 O-C-N 123.24 1.126 . . . . 0.0 110.379 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.6 tpt 53.66 -162.55 0.11 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.276 -0.89 . . . . 0.0 110.083 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -165.32 70.88 0.16 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.213 -0.929 . . . . 0.0 110.374 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -178.86 -43.48 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.274 -0.892 . . . . 0.0 110.064 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -177.78 133.35 0.34 Allowed Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.343 -0.848 . . . . 0.0 109.655 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.412 ' HG2' HD11 ' B' ' 22' ' ' LEU . 48.0 Cg_endo -79.17 53.57 4.77 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 O-C-N 123.373 1.196 . . . . 0.0 111.267 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.32 -66.97 0.11 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.424 -0.798 . . . . 0.0 111.593 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.36 -45.01 12.27 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.245 -0.909 . . . . 0.0 111.21 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 7.5 mp -80.47 -43.3 21.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.209 -0.932 . . . . 0.0 109.874 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -50.54 -42.45 55.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.51 -0.744 . . . . 0.0 110.676 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -80.15 -43.71 21.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.946 . . . . 0.0 110.571 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -63.36 -34.93 78.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 110.538 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 93.9 mt -75.23 -51.48 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.189 -0.945 . . . . 0.0 110.345 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -64.17 -23.58 67.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.251 -0.905 . . . . 0.0 110.362 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.16 -59.84 2.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.22 -0.925 . . . . 0.0 110.438 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -30.02 49.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.92 . . . . 0.0 110.437 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -56.59 10.19 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.243 -0.91 . . . . 0.0 110.36 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.74 -22.09 59.17 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.25 -25.11 46.72 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.221 -1.164 . . . . 0.0 110.324 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.1 -43.73 97.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.263 -0.898 . . . . 0.0 110.527 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -31.45 39.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.3 -0.875 . . . . 0.0 110.682 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -77.52 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 110.602 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.453 ' HB2' ' CB ' ' B' ' 45' ' ' ALA . 20.5 m170 -55.09 -50.44 69.18 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.148 -0.97 . . . . 0.0 110.538 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.3 -37.79 17.28 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.151 -0.968 . . . . 0.0 110.051 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -67.79 -33.29 74.52 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.322 -0.861 . . . . 0.0 109.363 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -92.22 19.41 7.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.438 -0.789 . . . . 0.0 109.616 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 mp 55.64 23.53 6.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.48 -45.99 70.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.172 -0.955 . . . . 0.0 108.938 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.531 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 2.4 m-85 48.17 -176.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.715 -0.616 . . . . 0.0 111.152 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 29.8 tt0 66.09 -62.78 0.25 Allowed 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 121.758 0.789 . . . . 0.0 109.028 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' B' ' 42' ' ' PHE . 18.0 pt-20 -82.27 -33.03 29.3 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-O 121.355 0.598 . . . . 0.0 109.92 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.75 -44.83 18.01 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.286 -0.883 . . . . 0.0 111.195 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.525 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -74.9 -19.65 60.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.22 -0.925 . . . . 0.0 111.114 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 12.2 mm-40 -77.23 -19.84 56.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.917 -1.114 . . . . 0.0 110.305 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 70.4 mt -70.62 -28.9 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -0.882 . . . . 0.0 110.421 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.4 OUTLIER -53.22 -27.31 21.35 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.13 -0.981 . . . . 0.0 109.977 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.58 -39.36 45.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.303 -0.873 . . . . 0.0 109.874 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -73.79 -42.78 60.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.978 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -37.93 89.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.351 -0.843 . . . . 0.0 110.036 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 0.6 OUTLIER -73.95 -34.45 64.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.292 -0.88 . . . . 0.0 110.153 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -80.48 -31.25 37.35 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 110.222 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -31.33 67.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.866 . . . . 0.0 110.786 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' B' ' 53' ' ' HIS . 0.0 OUTLIER -58.5 -22.29 54.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.143 -0.973 . . . . 0.0 110.321 -179.758 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -77.82 -38.28 46.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 109.989 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mt -57.02 -19.86 21.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.346 -0.846 . . . . 0.0 110.333 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . 0.43 ' HA ' ' CD2' ' B' ' 22' ' ' LEU . 46.7 t80 -49.96 -45.32 51.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.213 -0.93 . . . . 0.0 110.414 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mt -74.05 -34.73 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.263 -0.898 . . . . 0.0 110.165 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.44 -21.97 61.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.279 -0.888 . . . . 0.0 110.176 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.98 -61.83 1.33 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 0.0 110.215 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.169 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.266 0.555 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.472 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -76.84 -57.51 1.19 Allowed Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.344 -0.848 . . . . 0.0 110.566 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 9' ' ' GLU . 47.1 Cg_endo -73.42 -53.79 0.12 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 O-C-N 123.576 1.303 . . . . 0.0 110.626 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.14 -80.15 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.366 -0.833 . . . . 0.0 110.358 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -148.68 22.34 1.01 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.221 -0.924 . . . . 0.0 110.074 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.454 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -78.36 -57.87 0.85 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.238 -0.914 . . . . 0.0 110.141 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.454 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 47.4 Cg_endo -74.58 -53.44 0.1 Allowed 'Trans proline' 0 C--N 1.31 -1.478 0 O-C-N 123.33 1.174 . . . . 0.0 110.216 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.2 ttt 51.12 -148.33 0.36 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.386 -0.822 . . . . 0.0 110.289 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 57.95 68.17 0.87 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.132 -0.98 . . . . 0.0 110.041 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.422 ' O ' ' CG ' ' A' ' 23' ' ' GLN . 25.2 ptt? -49.35 -27.3 3.84 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.391 -0.818 . . . . 0.0 110.549 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 0.5 OUTLIER 56.85 166.13 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.277 -0.89 . . . . 0.0 110.347 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' ALA . 48.7 Cg_endo -78.97 49.8 3.27 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 O-C-N 123.555 1.292 . . . . 0.0 111.661 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.27 -72.36 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.363 -0.836 . . . . 0.0 112.339 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.04 -49.64 11.3 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.089 -1.007 . . . . 0.0 111.311 -178.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 8.9 mp -80.56 -37.3 31.65 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.156 -0.965 . . . . 0.0 109.546 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 36.1 tt0 -51.03 -44.53 61.08 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.592 -0.693 . . . . 0.0 110.35 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -75.99 -50.8 13.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.303 -0.873 . . . . 0.0 110.32 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -36.22 61.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.915 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.6 mt -78.96 -46.57 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 110.299 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.78 -21.96 65.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.27 -0.894 . . . . 0.0 110.243 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.418 ' OE1' ' CA ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -78.77 -52.52 8.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.285 -0.884 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 mt -75.36 -35.54 61.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.238 -0.914 . . . . 0.0 110.235 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -67.58 -37.4 82.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.28 -29.67 55.86 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.52 -33.83 75.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.25 -1.147 . . . . 0.0 110.233 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.42 ' CG ' ' HB ' ' A' ' 48' ' ' ILE . 1.4 mtp -56.21 -30.51 62.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.322 -0.861 . . . . 0.0 110.219 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.64 -32.22 62.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.278 -0.889 . . . . 0.0 110.304 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -76.36 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -0.886 . . . . 0.0 110.363 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.48 ' CD2' ' HG2' ' A' ' 41' ' ' GLU . 13.5 m170 -54.0 -49.01 69.82 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.162 -0.962 . . . . 0.0 110.375 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 33' ' ' MET . . . -48.87 -37.3 19.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.179 -0.951 . . . . 0.0 110.061 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.27 -36.07 82.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.311 -0.868 . . . . 0.0 109.572 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -92.3 20.34 6.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.415 -0.803 . . . . 0.0 109.697 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp 55.22 24.65 6.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 110.786 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -66.86 -48.35 69.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.121 -0.987 . . . . 0.0 109.122 178.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.521 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 5.3 m-85 48.93 -176.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.632 -0.668 . . . . 0.0 111.084 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.492 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 31.3 tt0 65.85 -62.37 0.25 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.772 0.796 . . . . 0.0 109.322 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.472 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 15.6 pt-20 -82.28 -32.26 29.67 Favored 'General case' 0 C--N 1.291 -1.968 0 O-C-N 121.754 -0.591 . . . . 0.0 110.081 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.442 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -80.74 -44.39 18.72 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.268 -0.895 . . . . 0.0 111.21 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.541 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -75.02 -33.99 61.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.113 -0.992 . . . . 0.0 110.935 -179.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.425 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 34.9 mt-30 -54.43 -25.38 24.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.851 -1.156 . . . . 0.0 109.966 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.42 ' HB ' ' CG ' ' A' ' 33' ' ' MET . 62.9 mt -62.81 -26.42 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 110.223 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -53.08 -26.29 15.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.142 -0.974 . . . . 0.0 109.903 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -77.84 -40.49 40.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.366 -0.834 . . . . 0.0 109.807 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -64.72 -37.18 86.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.303 -0.873 . . . . 0.0 109.859 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -42.1 74.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.873 . . . . 0.0 110.037 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -54.17 -41.07 68.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.008 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.32 -30.52 38.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 0.0 110.126 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -39.23 78.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 110.494 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 3.3 ppt_? -58.84 -22.34 58.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.202 -0.936 . . . . 0.0 110.266 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 33.6 mt-10 -66.05 -39.04 89.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.28 -0.887 . . . . 0.0 109.971 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -22.72 9.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.344 -0.848 . . . . 0.0 110.193 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.54 -36.45 55.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.932 . . . . 0.0 110.218 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.91 -42.31 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 0.0 110.157 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.32 -21.96 65.64 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.262 -0.899 . . . . 0.0 110.147 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.55 -60.04 1.61 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 110.194 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.132 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.319 0.581 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.472 ' CB ' ' CD ' ' B' ' 10' ' ' PRO . 0.1 OUTLIER -76.83 -57.5 1.19 Allowed Pre-proline 0 N--CA 1.492 1.675 0 O-C-N 121.284 -0.885 . . . . 0.0 110.516 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' B' ' 9' ' ' GLU . 46.2 Cg_endo -73.5 -53.66 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.314 0 O-C-N 123.546 1.287 . . . . 0.0 110.589 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.05 -80.15 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.351 -0.843 . . . . 0.0 110.338 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' B' ' 10' ' ' PRO . 0.2 OUTLIER -148.64 22.28 1.02 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.227 -0.921 . . . . 0.0 110.093 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.451 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -78.36 -57.86 0.85 Allowed Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 110.072 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.451 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 48.2 Cg_endo -74.55 -53.45 0.11 Allowed 'Trans proline' 0 C--N 1.312 -1.392 0 O-C-N 123.338 1.178 . . . . 0.0 110.295 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.2 ttt 51.24 -148.47 0.36 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.385 -0.822 . . . . 0.0 110.227 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 58.01 68.13 0.87 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.115 -0.99 . . . . 0.0 110.053 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.419 ' O ' ' CG ' ' B' ' 23' ' ' GLN . 25.2 ptt? -49.24 -27.4 3.68 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.301 -0.874 . . . . 0.0 110.555 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 0.5 OUTLIER 56.83 166.11 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.257 -0.902 . . . . 0.0 110.472 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' B' ' 21' ' ' ALA . 49.4 Cg_endo -78.93 49.74 3.24 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 O-C-N 123.582 1.306 . . . . 0.0 111.686 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.26 -72.38 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.42 -0.8 . . . . 0.0 112.295 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.06 -49.52 11.49 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.144 -0.972 . . . . 0.0 111.331 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.471 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 8.9 mp -80.66 -37.34 31.06 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.278 -0.889 . . . . 0.0 109.473 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.421 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 35.9 tt0 -51.04 -44.46 61.07 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.469 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -75.99 -50.83 13.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.913 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.52 -36.18 61.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 0.0 110.342 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 96.6 mt -79.11 -46.64 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.196 -0.94 . . . . 0.0 110.176 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -22.07 64.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.268 -0.895 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.416 ' CA ' ' OE1' ' B' ' 28' ' ' GLU . 0.0 OUTLIER -78.76 -52.48 8.31 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.185 -0.947 . . . . 0.0 110.232 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 mt -75.4 -35.48 61.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.182 -0.949 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -67.65 -37.55 82.58 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.324 -0.86 . . . . 0.0 110.203 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.24 -29.69 55.95 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -33.87 75.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -1.13 . . . . 0.0 110.204 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' MET . . . . . 0.425 ' CG ' ' HB ' ' B' ' 48' ' ' ILE . 1.4 mtp -56.19 -30.4 62.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 110.314 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.81 -32.21 61.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.236 -0.915 . . . . 0.0 110.27 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -76.4 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.225 -0.922 . . . . 0.0 110.365 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.474 ' CE1' ' OE1' ' B' ' 44' ' ' GLU . 13.6 m170 -53.97 -49.01 69.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.929 . . . . 0.0 110.366 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' B' ' 33' ' ' MET . . . -48.94 -37.04 18.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.104 -0.997 . . . . 0.0 110.077 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -36.09 82.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 0.0 109.515 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -92.26 20.2 6.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.335 -0.853 . . . . 0.0 109.745 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp 55.27 24.62 6.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.407 -0.808 . . . . 0.0 110.786 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' B' ' 36' ' ' HIS . 0.0 OUTLIER -66.78 -48.53 68.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.209 -0.932 . . . . 0.0 109.073 178.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.541 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 5.1 m-85 49.0 -176.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.603 -0.686 . . . . 0.0 111.185 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 31.3 tt0 65.83 -62.26 0.25 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.678 0.751 . . . . 0.0 109.221 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.474 ' OE1' ' CE1' ' B' ' 36' ' ' HIS . 15.6 pt-20 -82.26 -32.23 29.73 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 121.755 -0.59 . . . . 0.0 110.012 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.82 -44.65 18.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.193 -0.942 . . . . 0.0 111.287 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -74.9 -33.95 62.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.086 -1.009 . . . . 0.0 110.783 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 34.4 mt-30 -54.47 -25.43 25.2 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.843 -1.161 . . . . 0.0 109.953 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.425 ' HB ' ' CG ' ' B' ' 33' ' ' MET . 63.1 mt -62.68 -26.38 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -0.886 . . . . 0.0 110.22 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.2 OUTLIER -53.09 -26.25 15.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.136 -0.978 . . . . 0.0 109.913 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -77.79 -40.67 39.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.396 -0.815 . . . . 0.0 109.819 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -64.59 -37.24 86.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.263 -0.898 . . . . 0.0 109.9 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -42.12 74.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 0.0 109.998 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.427 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 0.2 OUTLIER -54.19 -40.99 68.08 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.246 -0.909 . . . . 0.0 109.947 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.38 -30.63 37.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.235 -0.916 . . . . 0.0 110.073 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.07 -39.15 79.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.282 -0.886 . . . . 0.0 110.607 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' B' ' 57' ' ' GLU . 3.3 ppt_? -58.91 -22.26 59.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.168 -0.958 . . . . 0.0 110.277 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' B' ' 56' ' ' ARG . 33.6 mt-10 -66.12 -39.09 89.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.268 -0.895 . . . . 0.0 109.931 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -22.74 8.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.341 -0.849 . . . . 0.0 110.162 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -52.58 -36.42 56.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 0.0 110.244 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.87 -42.36 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.41 -21.87 65.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.361 -0.837 . . . . 0.0 110.142 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.63 -60.06 1.6 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.223 -0.923 . . . . 0.0 110.195 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.232 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.229 0.538 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -159.38 68.25 3.14 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.289 -0.882 . . . . 0.0 110.182 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' ASN . 47.6 Cg_endo -72.8 -51.69 0.18 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.769 1.405 . . . . 0.0 110.432 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.79 -80.55 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.434 -0.791 . . . . 0.0 110.377 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 10' ' ' PRO . 2.7 t-20 -158.61 52.32 0.41 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.136 -0.978 . . . . 0.0 110.165 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.489 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 2.3 t -88.03 -48.39 0.45 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.955 . . . . 0.0 110.146 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 13' ' ' VAL . 43.9 Cg_endo -82.38 -70.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.256 1.135 . . . . 0.0 110.24 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -177.46 95.58 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.225 -0.922 . . . . 0.0 110.127 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.17 59.53 0.65 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.232 -0.917 . . . . 0.0 110.248 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.8 ptm -54.83 -37.13 65.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.229 -0.919 . . . . 0.0 110.266 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 5.1 m -71.79 169.09 17.26 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.248 -0.907 . . . . 0.0 110.186 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' ALA . 46.0 Cg_endo -85.82 20.07 1.29 Allowed 'Trans proline' 0 C--N 1.312 -1.343 0 O-C-N 123.661 1.348 . . . . 0.0 111.713 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -68.05 0.1 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.268 -0.895 . . . . 0.0 111.577 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.31 -47.61 18.36 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.177 -0.952 . . . . 0.0 110.891 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 8.9 mp -80.54 -41.64 23.8 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.348 -0.845 . . . . 0.0 109.42 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 37.4 tt0 -51.48 -51.99 50.44 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.655 -0.653 . . . . 0.0 110.374 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.3 -53.27 38.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.314 -0.866 . . . . 0.0 110.343 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -39.8 62.98 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.21 -0.931 . . . . 0.0 110.306 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.7 mt -75.15 -54.44 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.161 -0.962 . . . . 0.0 110.214 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -62.95 -29.44 70.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.268 -0.895 . . . . 0.0 110.291 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -77.84 -48.33 16.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.228 -0.92 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.435 ' CB ' ' CD2' ' A' ' 52' ' ' LEU . 24.3 mt -63.94 -42.16 97.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.17 -48.29 73.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.273 -0.892 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.17 -25.87 74.34 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.4 -27.96 64.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.266 -1.138 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.8 mtp -58.87 -61.38 2.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -0.927 . . . . 0.0 110.329 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.1 tpp -53.33 -39.89 64.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.221 -0.925 . . . . 0.0 110.158 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -73.88 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.852 . . . . 0.0 110.057 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.488 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 5.1 m-70 -52.62 -46.18 66.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.325 -0.859 . . . . 0.0 110.225 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.433 ' N ' ' HB3' ' A' ' 45' ' ' ALA . . . -54.61 -43.73 72.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.039 -1.038 . . . . 0.0 109.153 179.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -59.62 -32.11 70.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.322 -0.861 . . . . 0.0 109.127 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 12.9 m-20 -89.85 15.26 10.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.419 -0.801 . . . . 0.0 109.513 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 6.6 mp 56.7 20.13 4.84 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.47 -0.769 . . . . 0.0 111.246 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' GLU . 1.2 mm-40 -65.33 -51.96 57.08 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.533 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 3.1 m-85 61.71 -57.45 0.11 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 178.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' GLU . 25.5 tt0 -47.88 -59.41 3.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.807 -1.183 . . . . 0.0 109.477 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' HG3' ' CD2' ' A' ' 36' ' ' HIS . 13.0 pt-20 -81.4 -19.44 42.59 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.667 -0.646 . . . . 0.0 110.304 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -82.04 -51.14 8.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.111 -0.993 . . . . 0.0 112.071 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.53 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -80.23 -20.04 45.53 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.103 -0.998 . . . . 0.0 111.546 -178.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 48' ' ' ILE . 7.2 pt20 -67.67 -26.95 66.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.768 -1.207 . . . . 0.0 109.346 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.443 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 40.7 mm -56.84 -28.92 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.188 -0.945 . . . . 0.0 109.206 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -53.9 -30.86 47.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.537 -0.727 . . . . 0.0 109.495 179.363 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 33.7 t0 -76.16 -35.73 59.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.882 . . . . 0.0 109.845 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -76.24 -42.57 45.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.0 110.025 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.435 ' CD2' ' CB ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -61.72 -46.65 88.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 110.215 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.3 -40.85 74.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -71.03 -49.89 39.97 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.194 -0.941 . . . . 0.0 110.241 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.14 -21.42 13.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.314 -0.867 . . . . 0.0 110.244 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -52.36 56.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 110.267 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.53 -33.75 73.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.92 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.4 mt -68.97 -23.04 64.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.247 -0.908 . . . . 0.0 110.209 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -58.3 -48.13 81.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.25 -0.906 . . . . 0.0 110.163 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -72.83 -45.47 56.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.947 . . . . 0.0 110.217 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.49 -27.42 25.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.19 -61.19 1.62 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.286 -0.884 . . . . 0.0 110.218 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.212 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.289 0.566 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -159.3 68.17 3.16 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.205 -0.934 . . . . 0.0 110.21 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.4 Cg_endo -72.84 -51.6 0.18 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 O-C-N 123.72 1.379 . . . . 0.0 110.427 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.78 -80.56 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.488 -0.758 . . . . 0.0 110.427 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' B' ' 10' ' ' PRO . 2.7 t-20 -158.66 52.36 0.41 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.179 -0.951 . . . . 0.0 110.112 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.487 ' N ' ' CD ' ' B' ' 14' ' ' PRO . 2.3 t -88.1 -48.34 0.45 Allowed Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.153 -0.967 . . . . 0.0 110.164 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' B' ' 13' ' ' VAL . 44.3 Cg_endo -82.31 -70.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.35 0 O-C-N 123.299 1.157 . . . . 0.0 110.313 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -177.37 95.62 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -0.91 . . . . 0.0 110.151 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.14 59.49 0.65 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.257 -0.902 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 14.7 ptm -54.9 -37.18 66.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 110.141 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.426 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 5.2 m -71.81 169.11 17.2 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.314 -0.866 . . . . 0.0 110.182 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' B' ' 21' ' ' ALA . 46.5 Cg_endo -85.81 20.11 1.29 Allowed 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.712 1.375 . . . . 0.0 111.671 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.88 -68.02 0.09 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.319 -0.863 . . . . 0.0 111.646 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.3 -47.66 18.31 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.122 -0.986 . . . . 0.0 110.913 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 8.9 mp -80.49 -41.62 24.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.253 -0.904 . . . . 0.0 109.399 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.426 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 37.5 tt0 -51.4 -52.11 48.85 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.665 -0.647 . . . . 0.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.18 -53.31 38.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.332 -0.855 . . . . 0.0 110.385 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -39.76 63.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.24 -0.913 . . . . 0.0 110.328 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 95.5 mt -75.08 -54.44 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.159 -0.963 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -63.01 -29.33 70.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.226 -0.922 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -77.97 -48.33 16.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.221 -0.924 . . . . 0.0 110.239 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.444 ' CB ' ' CD2' ' B' ' 52' ' ' LEU . 24.5 mt -63.85 -42.18 97.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.234 -0.916 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.29 -48.26 74.34 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.202 -0.936 . . . . 0.0 110.261 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.11 -25.82 74.31 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -70.58 -28.04 64.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.189 -1.183 . . . . 0.0 110.205 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 1.8 mtp -58.83 -61.33 2.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 34.4 tpp -53.3 -39.89 64.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.167 -0.958 . . . . 0.0 110.193 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -73.9 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.312 -0.868 . . . . 0.0 110.081 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.484 ' CD2' ' HG3' ' B' ' 44' ' ' GLU . 5.1 m-70 -52.58 -46.19 66.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.204 -0.935 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.434 ' N ' ' HB3' ' B' ' 45' ' ' ALA . . . -54.69 -43.81 72.81 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.122 -0.986 . . . . 0.0 109.203 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -59.4 -32.17 69.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.363 -0.835 . . . . 0.0 109.1 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -89.79 15.2 10.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.49 -0.756 . . . . 0.0 109.513 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mp 56.58 20.27 4.82 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.501 -0.749 . . . . 0.0 111.272 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 43' ' ' GLU . 1.2 mm-40 -65.42 -51.81 57.67 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.53 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 3.0 m-85 61.69 -57.47 0.11 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 178.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 41' ' ' GLU . 25.4 tt0 -47.88 -59.56 3.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.753 -1.217 . . . . 0.0 109.507 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.484 ' HG3' ' CD2' ' B' ' 36' ' ' HIS . 13.0 pt-20 -81.38 -19.27 43.0 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.657 -0.652 . . . . 0.0 110.333 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -82.2 -50.96 8.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.071 -1.018 . . . . 0.0 111.938 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.533 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -80.34 -20.01 45.17 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.209 -0.932 . . . . 0.0 111.558 -178.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' B' ' 48' ' ' ILE . 7.2 pt20 -67.67 -26.86 66.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.863 -1.148 . . . . 0.0 109.344 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' B' ' 47' ' ' GLN . 40.8 mm -56.95 -28.91 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.227 -0.921 . . . . 0.0 109.173 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.427 ' CZ ' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -53.92 -30.82 47.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.557 -0.715 . . . . 0.0 109.568 179.372 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.427 ' HA ' ' CZ ' ' B' ' 49' ' ' ARG . 33.7 t0 -76.26 -35.61 58.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 109.831 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -76.23 -42.64 45.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.898 . . . . 0.0 110.057 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.444 ' CD2' ' CB ' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -61.73 -46.62 88.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 110.163 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -40.9 75.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.322 -0.861 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -70.9 -50.0 39.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.11 -21.37 12.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.229 -0.92 . . . . 0.0 110.321 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -52.26 57.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 110.334 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.51 -34.05 73.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.249 -0.907 . . . . 0.0 110.169 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 38.7 mt -68.83 -23.04 64.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.301 -0.875 . . . . 0.0 110.228 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.24 -48.06 81.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 110.296 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -72.87 -45.36 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 0.0 110.217 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.63 -27.46 27.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.257 -0.902 . . . . 0.0 110.217 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.06 -61.29 1.61 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.922 . . . . 0.0 110.198 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.172 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.306 0.574 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 5.6 mt-10 53.09 55.1 13.63 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.22 -0.925 . . . . 0.0 110.26 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.4 Cg_endo -72.82 -46.41 0.42 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.767 1.404 . . . . 0.0 110.407 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.54 -82.25 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.537 -0.727 . . . . 0.0 110.38 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 10' ' ' PRO . 2.5 p-10 -154.32 22.08 0.48 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.193 -0.942 . . . . 0.0 110.28 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.49 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 2.3 t -88.62 -48.07 0.43 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.254 -0.903 . . . . 0.0 110.249 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 13' ' ' VAL . 43.2 Cg_endo -82.45 -75.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.337 1.177 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -176.38 167.08 2.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.18 -0.95 . . . . 0.0 110.186 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -119.28 35.99 4.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.273 -0.892 . . . . 0.0 110.253 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -54.63 -28.68 48.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.242 -0.911 . . . . 0.0 110.16 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 10.5 m 56.2 169.69 0.05 OUTLIER Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.268 -0.895 . . . . 0.0 110.298 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' ALA . 46.4 Cg_endo -86.28 19.64 1.36 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.659 1.347 . . . . 0.0 111.662 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? 63.86 -68.0 0.09 Allowed 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.323 -0.861 . . . . 0.0 111.576 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.16 -46.62 17.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.208 -0.932 . . . . 0.0 110.998 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.487 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 9.1 mp -80.47 -42.85 21.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.267 -0.896 . . . . 0.0 109.426 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.437 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 20.7 tt0 -51.97 -44.82 64.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.682 -0.636 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -46.97 61.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.194 -0.941 . . . . 0.0 110.188 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -60.69 -49.25 78.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 81.7 mt -54.4 -56.77 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 0.0 110.148 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.88 -19.93 65.82 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.229 -0.92 . . . . 0.0 110.325 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.61 -47.57 16.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -0.934 . . . . 0.0 110.224 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 mt -52.84 -37.26 59.94 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 110.235 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -45.12 83.67 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.295 -0.878 . . . . 0.0 110.18 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.96 -32.42 82.03 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -78.04 -23.18 48.26 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.251 -1.147 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.418 ' HE3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -61.87 -58.86 6.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.283 -0.885 . . . . 0.0 110.395 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.4 ttm -63.06 -31.93 73.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.227 -0.92 . . . . 0.0 110.308 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -76.3 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.93 . . . . 0.0 110.298 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.47 ' CD2' ' OE1' ' A' ' 44' ' ' GLU . 23.3 m-70 -52.48 -50.86 61.88 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.19 -0.944 . . . . 0.0 110.41 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.76 -43.91 38.2 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.169 -0.957 . . . . 0.0 110.064 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -58.9 -33.42 70.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 0.0 109.266 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -91.6 17.13 9.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.379 -0.826 . . . . 0.0 109.623 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mp 55.9 25.41 8.58 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.41 -0.806 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -69.57 -45.86 67.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.113 -0.992 . . . . 0.0 109.021 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.529 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 7.4 m-85 48.93 -177.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.665 -0.647 . . . . 0.0 111.274 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.492 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 30.1 tt0 66.18 -63.25 0.24 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.774 0.797 . . . . 0.0 109.033 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.47 ' OE1' ' CD2' ' A' ' 36' ' ' HIS . 11.6 pt-20 -82.62 -31.45 28.85 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-O 121.369 0.604 . . . . 0.0 109.708 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -80.96 -46.26 15.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.424 -0.798 . . . . 0.0 111.135 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -74.38 -19.55 60.39 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.272 -0.892 . . . . 0.0 110.977 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 14.9 mm-40 -72.91 -19.81 61.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.959 -1.088 . . . . 0.0 110.212 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.5 mm -70.36 -29.49 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.118 -0.989 . . . . 0.0 110.69 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -52.88 -27.48 18.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.028 -1.045 . . . . 0.0 110.107 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.03 -36.41 41.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.371 -0.831 . . . . 0.0 109.785 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.413 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 29.6 mt-30 -68.41 -33.99 75.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.885 . . . . 0.0 110.021 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' CD1' ' HE3' ' A' ' 33' ' ' MET . 2.7 mt -54.03 -52.02 62.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.874 . . . . 0.0 110.011 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -70.49 -38.35 74.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.355 -0.84 . . . . 0.0 110.121 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.94 -43.66 98.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.107 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 51' ' ' GLN . 2.0 mp -71.13 -23.97 62.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.247 -0.908 . . . . 0.0 110.147 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -59.47 -53.53 57.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.255 -0.903 . . . . 0.0 110.145 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.6 pt-20 -62.67 -23.37 67.08 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 0.0 110.147 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.433 HD21 ' CD2' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -70.95 -22.15 62.25 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.208 -0.933 . . . . 0.0 110.145 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -53.31 -47.0 69.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 0.0 110.183 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.5 mt -66.45 -48.79 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.911 . . . . 0.0 110.152 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.34 -24.46 29.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 110.091 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.33 -70.98 0.67 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.274 -0.891 . . . . 0.0 110.202 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.266 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.168 0.509 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.412 ' N ' ' CD ' ' B' ' 10' ' ' PRO . 5.6 mt-10 53.03 55.16 13.74 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.323 -0.861 . . . . 0.0 110.269 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.3 Cg_endo -72.93 -46.36 0.4 Allowed 'Trans proline' 0 C--N 1.312 -1.371 0 O-C-N 123.701 1.369 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.55 -82.17 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.463 -0.773 . . . . 0.0 110.458 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 10' ' ' PRO . 2.5 p-10 -154.34 22.09 0.48 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.217 -0.927 . . . . 0.0 110.218 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.488 ' N ' ' CD ' ' B' ' 14' ' ' PRO . 2.3 t -88.62 -48.04 0.43 Allowed Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.265 -0.897 . . . . 0.0 110.291 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' B' ' 13' ' ' VAL . 43.7 Cg_endo -82.5 -75.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.354 0 O-C-N 123.255 1.134 . . . . 0.0 110.43 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -176.42 167.1 2.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.165 -0.959 . . . . 0.0 110.173 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -119.34 36.0 4.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 110.239 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -54.63 -28.77 49.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.949 . . . . 0.0 110.108 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.436 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 10.6 m 56.14 169.72 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.313 -0.867 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' B' ' 21' ' ' ALA . 45.7 Cg_endo -86.27 19.62 1.36 Allowed 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.696 1.367 . . . . 0.0 111.628 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? 63.89 -68.17 0.09 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.325 -0.859 . . . . 0.0 111.625 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.99 -46.76 16.6 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.141 -0.974 . . . . 0.0 111.002 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.48 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 9.2 mp -80.5 -42.75 21.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -0.911 . . . . 0.0 109.415 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.436 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 20.8 tt0 -52.01 -44.84 64.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.654 -0.654 . . . . 0.0 110.345 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -47.12 61.32 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.923 . . . . 0.0 110.246 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -60.53 -49.33 77.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.219 -0.926 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 81.9 mt -54.4 -56.77 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.135 -0.978 . . . . 0.0 110.152 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.87 -19.94 65.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.207 -0.933 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.59 -47.5 17.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.275 -0.891 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mt -52.9 -37.22 60.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.227 -0.92 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -45.15 83.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.309 -0.87 . . . . 0.0 110.193 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.5 82.27 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -77.98 -23.1 48.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -1.125 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' MET . . . . . 0.424 ' HE3' ' CD1' ' B' ' 52' ' ' LEU . 0.0 OUTLIER -61.91 -58.88 6.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.321 -0.862 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.5 ttm -63.09 -31.87 73.12 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.245 -0.909 . . . . 0.0 110.307 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -76.33 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.264 -0.897 . . . . 0.0 110.315 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.473 ' CD2' ' OE1' ' B' ' 44' ' ' GLU . 23.4 m-70 -52.39 -50.98 61.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 110.388 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.75 -43.78 37.93 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.197 -0.939 . . . . 0.0 110.11 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -58.97 -33.44 70.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.256 -0.902 . . . . 0.0 109.216 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -91.61 17.22 9.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.438 -0.789 . . . . 0.0 109.596 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mp 55.82 25.46 8.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.513 -0.742 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -69.51 -45.97 67.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.188 -0.945 . . . . 0.0 109.003 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.521 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 7.3 m-85 49.01 -177.57 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.676 -0.64 . . . . 0.0 111.282 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 30.1 tt0 66.15 -63.23 0.24 Allowed 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 121.815 0.817 . . . . 0.0 108.995 -178.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.473 ' OE1' ' CD2' ' B' ' 36' ' ' HIS . 11.6 pt-20 -82.69 -31.45 28.6 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.419 0.628 . . . . 0.0 109.677 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.441 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.89 -46.28 15.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.3 -0.875 . . . . 0.0 111.11 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.529 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -74.43 -19.53 60.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.136 -0.978 . . . . 0.0 110.981 -178.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 14.8 mm-40 -72.98 -19.71 61.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.956 -1.09 . . . . 0.0 110.202 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.6 mm -70.38 -29.52 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.155 -0.966 . . . . 0.0 110.601 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.7 OUTLIER -52.81 -27.55 18.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.039 -1.038 . . . . 0.0 110.149 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.0 -36.43 41.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.307 -0.871 . . . . 0.0 109.808 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.419 ' O ' ' CD1' ' B' ' 55' ' ' LEU . 29.9 mt-30 -68.4 -34.01 75.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.323 -0.861 . . . . 0.0 109.984 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.424 ' CD1' ' HE3' ' B' ' 33' ' ' MET . 2.7 mt -54.05 -51.94 62.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.294 -0.879 . . . . 0.0 109.976 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -70.53 -38.5 74.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.26 -0.9 . . . . 0.0 109.976 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.81 -43.81 97.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.251 -0.905 . . . . 0.0 110.095 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.419 ' CD1' ' O ' ' B' ' 51' ' ' GLN . 2.0 mp -71.07 -24.09 62.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.309 -0.869 . . . . 0.0 110.102 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -59.37 -53.6 56.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.316 -0.865 . . . . 0.0 110.158 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.5 pt-20 -62.67 -23.32 67.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.347 -0.846 . . . . 0.0 110.161 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.429 HD21 ' CD2' ' B' ' 22' ' ' LEU . 0.2 OUTLIER -70.94 -22.17 62.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.317 -0.865 . . . . 0.0 110.187 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -53.21 -47.06 69.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.249 -0.907 . . . . 0.0 110.116 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 10.4 mt -66.49 -48.89 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.263 -0.898 . . . . 0.0 110.143 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.12 -24.6 26.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.913 . . . . 0.0 110.157 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.34 -71.02 0.67 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.227 -0.921 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.239 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.199 0.523 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 53.22 74.53 0.76 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.258 -0.901 . . . . 0.0 110.182 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.6 Cg_endo -72.92 -50.8 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.431 0 O-C-N 123.672 1.354 . . . . 0.0 110.468 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.42 -79.21 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.415 -0.803 . . . . 0.0 110.471 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' PRO . 2.3 p-10 -145.23 25.45 1.38 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.226 -0.921 . . . . 0.0 110.045 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.481 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 2.1 t -54.5 -49.12 92.72 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.39 -0.819 . . . . 0.0 110.145 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 13' ' ' VAL . 45.1 Cg_endo -80.17 -85.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.318 0 O-C-N 123.267 1.141 . . . . 0.0 110.116 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.32 85.44 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.076 -1.015 . . . . 0.0 110.325 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -175.83 70.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 0.0 110.093 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.442 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 4.8 ptp -56.18 -33.89 65.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.199 -0.938 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.483 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -176.43 -60.37 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.137 -0.977 . . . . 0.0 110.683 179.595 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 40.4 Cg_endo -71.6 -86.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.273 0 O-C-N 123.367 1.193 . . . . 0.0 111.646 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 68.94 -66.54 0.24 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.386 -0.821 . . . . 0.0 108.983 -178.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CD ' ' A' ' 25' ' ' LYS . . . -57.18 -28.21 62.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.117 -0.989 . . . . 0.0 108.82 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.519 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 8.2 mp -77.79 -48.87 15.53 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -50.01 -55.82 13.16 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.497 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -45.31 93.82 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.359 -0.838 . . . . 0.0 110.416 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 21' ' ' ALA . 3.4 mttp -62.28 -52.97 61.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.119 -0.988 . . . . 0.0 110.365 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.1 mt -53.0 -50.7 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 110.238 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.46 -19.87 63.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.278 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.16 -39.18 55.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 110.242 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -78.82 -40.91 31.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -0.909 . . . . 0.0 110.151 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -53.3 -42.44 66.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.176 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.18 -21.06 65.9 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -56.43 -55.99 26.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -1.206 . . . . 0.0 110.406 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.449 ' SD ' ' CE2' ' B' ' 42' ' ' PHE . 0.3 OUTLIER -79.52 -19.83 48.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.068 -1.02 . . . . 0.0 110.205 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.93 52.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.125 -0.984 . . . . 0.0 109.963 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 36' ' ' HIS . 6.2 pt20 -54.35 -24.95 21.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.17 -0.956 . . . . 0.0 109.65 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.458 ' CB ' ' CB ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -80.19 -55.42 4.93 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.433 -0.792 . . . . 0.0 109.83 179.391 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 42' ' ' PHE . . . -49.91 -35.86 25.35 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.207 -0.933 . . . . 0.0 109.546 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.26 -36.88 71.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.404 -0.81 . . . . 0.0 109.211 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 5.0 m120 -95.46 25.66 4.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.463 -0.773 . . . . 0.0 109.68 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 1.2 mp 56.1 44.97 24.39 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.6 -0.687 . . . . 0.0 110.762 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 4.3 mm-40 -128.11 18.02 6.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 0.0 109.954 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.526 ' CE1' ' CB ' ' B' ' 46' ' ' ALA . 7.3 p90 -60.42 -9.6 3.8 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.454 -0.779 . . . . 0.0 111.724 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -49.52 -68.08 0.21 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.553 -1.342 . . . . 0.0 109.305 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 4.0 pt-20 -81.34 -19.35 42.99 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.576 -0.702 . . . . 0.0 109.624 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.458 ' CB ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.57 -54.34 6.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.325 -0.859 . . . . 0.0 111.33 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.52 ' CB ' ' CE1' ' B' ' 42' ' ' PHE . . . -44.53 -29.99 0.81 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.352 -0.842 . . . . 0.0 111.117 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -55.74 -32.94 63.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.034 -1.042 . . . . 0.0 109.704 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.421 ' CG2' HD22 ' A' ' 52' ' ' LEU . 35.6 mm -51.26 -33.21 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.318 -0.864 . . . . 0.0 109.725 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' NH2' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -48.57 -29.68 4.51 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.507 -0.745 . . . . 0.0 109.525 179.05 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' HA ' ' NH2' ' A' ' 49' ' ' ARG . 12.0 t70 -69.17 -40.2 78.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.428 -0.795 . . . . 0.0 109.235 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -80.22 -30.83 38.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.437 -0.789 . . . . 0.0 109.685 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.421 HD22 ' CG2' ' A' ' 48' ' ' ILE . 1.2 mm? -65.41 -40.5 93.48 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.456 -0.777 . . . . 0.0 110.152 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -74.53 -39.55 62.29 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.925 . . . . 0.0 110.158 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -64.66 -51.97 59.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.225 -0.922 . . . . 0.0 110.259 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.46 -32.23 73.08 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.843 . . . . 0.0 110.153 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.07 -47.3 86.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.233 -0.917 . . . . 0.0 110.186 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.22 -32.8 49.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.274 -0.891 . . . . 0.0 110.197 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.72 -32.73 60.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.156 -0.965 . . . . 0.0 110.176 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.93 -44.8 74.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.237 -0.914 . . . . 0.0 110.151 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.38 -41.26 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.305 -0.872 . . . . 0.0 110.117 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.71 -21.44 64.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.237 -0.914 . . . . 0.0 110.246 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -104.05 -58.77 1.83 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.228 -0.92 . . . . 0.0 110.141 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.972 -1.014 . . . . 0.0 110.23 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.232 0.539 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 53.19 74.54 0.75 Allowed Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.222 -0.924 . . . . 0.0 110.221 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.3 Cg_endo -72.97 -50.81 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.428 0 O-C-N 123.757 1.398 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.55 -79.21 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.379 -0.826 . . . . 0.0 110.468 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 10' ' ' PRO . 2.3 p-10 -145.23 25.43 1.38 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.081 -1.012 . . . . 0.0 110.155 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.486 ' N ' ' CD ' ' B' ' 14' ' ' PRO . 2.1 t -54.5 -49.09 92.88 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.276 -0.89 . . . . 0.0 110.133 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' B' ' 13' ' ' VAL . 44.8 Cg_endo -80.27 -85.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.373 0 O-C-N 123.415 1.218 . . . . 0.0 110.134 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.38 85.44 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.064 -1.022 . . . . 0.0 110.27 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -175.81 70.22 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.0 110.125 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.432 ' CG ' ' HD2' ' B' ' 19' ' ' PRO . 4.8 ptp -56.2 -33.94 65.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 0.0 110.278 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.488 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 0.4 OUTLIER -176.32 -60.3 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.053 -1.029 . . . . 0.0 110.684 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' B' ' 18' ' ' SER . 40.1 Cg_endo -71.68 -86.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.3 0 O-C-N 123.387 1.203 . . . . 0.0 111.663 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 68.88 -66.47 0.25 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.319 -0.863 . . . . 0.0 109.015 -178.676 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.417 ' O ' ' CD ' ' B' ' 25' ' ' LYS . . . -57.28 -28.08 62.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.165 -0.959 . . . . 0.0 108.806 178.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 8.3 mp -77.77 -48.99 15.28 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -49.9 -55.82 12.91 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.552 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.31 93.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.871 . . . . 0.0 110.445 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' B' ' 21' ' ' ALA . 3.4 mttp -62.35 -53.03 61.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.264 -0.898 . . . . 0.0 110.366 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.2 mt -52.88 -50.76 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.133 -0.979 . . . . 0.0 110.209 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.37 -19.96 63.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.349 -0.845 . . . . 0.0 110.268 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.13 -39.06 55.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.218 -0.926 . . . . 0.0 110.34 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 18.2 mt -78.9 -40.91 30.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.197 -0.939 . . . . 0.0 110.103 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.38 -42.32 66.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.855 . . . . 0.0 110.201 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.17 -21.19 65.64 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 29.2 tp -56.41 -56.09 25.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.204 -1.174 . . . . 0.0 110.369 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' MET . . . . . 0.453 ' SD ' ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -79.37 -19.92 48.99 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.122 -0.986 . . . . 0.0 110.253 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -53.99 51.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.165 -0.959 . . . . 0.0 109.987 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' B' ' 36' ' ' HIS . 6.2 pt20 -54.26 -25.06 21.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -0.999 . . . . 0.0 109.567 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.466 ' CB ' ' CB ' ' B' ' 45' ' ' ALA . 0.1 OUTLIER -80.24 -55.37 4.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.474 -0.766 . . . . 0.0 109.777 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.421 ' HA ' ' HB3' ' B' ' 42' ' ' PHE . . . -49.83 -35.96 24.9 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.566 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.32 -36.7 71.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.424 -0.797 . . . . 0.0 109.252 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -95.47 25.54 4.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.495 -0.753 . . . . 0.0 109.667 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mp 56.06 44.99 24.46 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.572 -0.705 . . . . 0.0 110.749 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.433 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 4.3 mm-40 -128.07 18.13 6.61 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.317 -0.865 . . . . 0.0 109.954 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.52 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 7.3 p90 -60.39 -9.58 3.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.437 -0.789 . . . . 0.0 111.779 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -49.59 -68.1 0.2 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.56 -1.338 . . . . 0.0 109.298 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -81.28 -19.36 43.15 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.523 -0.736 . . . . 0.0 109.634 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.466 ' CB ' ' CB ' ' B' ' 36' ' ' HIS . . . -77.61 -54.3 6.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.386 -0.821 . . . . 0.0 111.209 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.526 ' CB ' ' CE1' ' A' ' 42' ' ' PHE . . . -44.65 -29.94 0.84 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.39 -0.819 . . . . 0.0 111.063 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -55.77 -32.9 63.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.035 -1.04 . . . . 0.0 109.738 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.426 ' CG2' HD22 ' B' ' 52' ' ' LEU . 35.4 mm -51.3 -33.18 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.228 -0.92 . . . . 0.0 109.707 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.424 ' NH2' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -48.63 -29.61 4.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.484 -0.76 . . . . 0.0 109.483 179.081 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.424 ' HA ' ' NH2' ' B' ' 49' ' ' ARG . 12.0 t70 -69.11 -40.25 78.46 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.379 -0.826 . . . . 0.0 109.213 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -80.36 -30.71 37.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.451 -0.78 . . . . 0.0 109.68 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.426 HD22 ' CG2' ' B' ' 48' ' ' ILE . 1.2 mm? -65.37 -40.54 93.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.422 -0.799 . . . . 0.0 110.181 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -74.56 -39.45 62.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 110.162 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.95 -51.83 59.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.889 . . . . 0.0 110.15 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -32.22 73.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.173 -0.954 . . . . 0.0 110.146 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.15 -47.31 86.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.3 -0.875 . . . . 0.0 110.12 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.06 -32.97 49.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.234 -0.916 . . . . 0.0 110.245 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.49 -32.88 60.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.888 . . . . 0.0 110.185 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.9 -44.82 74.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.908 . . . . 0.0 110.194 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.3 -41.3 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.202 -0.936 . . . . 0.0 110.114 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.7 -21.56 64.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.0 110.26 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.87 -58.74 1.83 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.929 . . . . 0.0 110.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.228 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.221 0.534 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -141.16 72.48 27.05 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.903 . . . . 0.0 110.163 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' ASN . 47.3 Cg_endo -72.93 -49.31 0.25 Allowed 'Trans proline' 0 C--N 1.311 -1.432 0 O-C-N 123.726 1.382 . . . . 0.0 110.468 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.41 -80.94 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.401 -0.812 . . . . 0.0 110.437 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -139.77 23.99 2.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.201 -0.937 . . . . 0.0 110.186 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.457 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -76.83 -58.32 1.09 Allowed Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.189 -0.945 . . . . 0.0 109.947 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.457 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 48.4 Cg_endo -74.56 -48.23 0.2 Allowed 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.364 1.191 . . . . 0.0 110.142 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.6 tpt 54.44 99.67 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.454 -0.779 . . . . 0.0 110.169 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 17' ' ' MET . 15.1 t0 -110.74 -90.38 0.48 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.249 -0.907 . . . . 0.0 110.417 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.429 ' HG3' ' N ' ' A' ' 18' ' ' SER . 24.7 ptt? -176.78 -32.15 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.291 -0.88 . . . . 0.0 110.703 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 17' ' ' MET . 3.4 m 62.17 159.21 0.12 Allowed Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.135 -0.978 . . . . 0.0 110.146 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' ALA . 45.8 Cg_endo -70.46 -13.46 32.93 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.78 1.41 . . . . 0.0 111.326 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 24' ' ' GLN . 0.1 OUTLIER 64.42 -69.58 0.09 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.455 -0.778 . . . . 0.0 110.889 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.18 -52.73 14.9 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.1 -1.0 . . . . 0.0 110.29 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.45 ' CD2' ' C ' ' A' ' 22' ' ' LEU . 5.3 tt -67.56 -68.6 0.37 Allowed 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.52 -0.737 . . . . 0.0 109.071 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -44.13 -29.61 0.64 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.712 -0.617 . . . . 0.0 111.049 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 14.1 tm0? -80.2 -31.7 38.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.1 -1.0 . . . . 0.0 110.075 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -72.97 -49.67 27.77 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.338 -0.851 . . . . 0.0 110.21 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.434 ' CD1' HD22 ' A' ' 22' ' ' LEU . 73.6 mt -60.08 -45.65 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -58.88 -23.02 60.49 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.304 -0.872 . . . . 0.0 110.38 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.11 -34.13 38.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.173 -0.955 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.3 mt -78.57 -38.85 39.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 0.0 110.204 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' N ' HD22 ' A' ' 52' ' ' LEU . 1.6 tt0 -55.74 -45.14 78.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 0.0 110.195 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.28 -28.28 72.82 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 tp -58.33 -41.99 85.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.201 -1.176 . . . . 0.0 110.166 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.49 ' HE2' ' CZ ' ' B' ' 42' ' ' PHE . 7.7 mtp -56.49 -42.87 79.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.233 -0.917 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.422 ' CE ' ' O ' ' B' ' 38' ' ' GLN . 0.3 OUTLIER -51.16 -37.37 45.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.274 -0.891 . . . . 0.0 110.648 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -78.15 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.923 . . . . 0.0 110.612 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.475 ' CB ' ' CB ' ' A' ' 45' ' ' ALA . 5.0 m170 -54.71 -52.5 62.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.316 -0.865 . . . . 0.0 110.91 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 42' ' ' PHE . . . -46.49 -30.67 2.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.232 -0.918 . . . . 0.0 110.254 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.421 ' O ' ' CE ' ' B' ' 34' ' ' MET . 18.5 mt-30 -80.03 -34.49 38.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.345 -0.847 . . . . 0.0 109.426 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -95.52 25.09 4.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.37 -0.831 . . . . 0.0 109.61 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mp 54.34 29.0 10.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.571 -0.706 . . . . 0.0 110.583 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 15.0 mt-10 -107.18 18.48 21.64 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.142 -0.974 . . . . 0.0 109.952 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.533 ' CE1' ' CB ' ' B' ' 46' ' ' ALA . 5.9 p90 -61.25 -8.23 3.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.464 -0.772 . . . . 0.0 112.024 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -49.28 -67.86 0.23 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.497 -1.377 . . . . 0.0 109.357 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -81.72 -19.33 41.69 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.523 -0.736 . . . . 0.0 109.661 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.475 ' CB ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.52 -51.09 11.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.435 -0.79 . . . . 0.0 111.602 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.528 ' CB ' ' CE1' ' B' ' 42' ' ' PHE . . . -50.56 -24.21 3.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.975 -1.078 . . . . 0.0 110.399 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -53.02 -31.78 43.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.978 -1.076 . . . . 0.0 109.544 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.2 mt -53.95 -27.76 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.318 -0.864 . . . . 0.0 108.926 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -51.52 -34.79 37.76 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.583 -0.698 . . . . 0.0 109.21 178.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 10.2 t70 -66.61 -35.69 80.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.385 -0.822 . . . . 0.0 109.322 179.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.417 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 27.6 mt-30 -76.3 -38.13 56.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 109.593 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -67.49 -43.48 80.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.397 -0.814 . . . . 0.0 109.933 179.647 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -71.87 -40.22 69.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.56 -44.59 74.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.27 -0.894 . . . . 0.0 110.089 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.43 ' HB3' ' CD1' ' A' ' 26' ' ' ILE . 2.4 mt -59.94 -23.64 63.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.249 -0.907 . . . . 0.0 110.1 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -53.25 -47.94 68.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.134 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -62.89 -44.64 95.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 110.022 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.52 -22.15 42.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.312 -0.867 . . . . 0.0 110.218 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.415 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . 8.5 t80 -53.19 -45.32 68.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.0 110.176 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 84.1 mt -76.53 -35.68 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.249 -0.907 . . . . 0.0 110.14 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.16 65.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.929 . . . . 0.0 110.069 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.63 -73.6 0.47 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.349 -0.844 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.184 -0.948 . . . . 0.0 110.213 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.229 0.538 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -141.08 72.39 27.49 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.231 -0.918 . . . . 0.0 110.204 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' B' ' 12' ' ' ASN . 45.8 Cg_endo -72.91 -49.43 0.24 Allowed 'Trans proline' 0 C--N 1.31 -1.45 0 O-C-N 123.751 1.395 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.6 -80.95 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.505 -0.747 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 10' ' ' PRO . 0.2 OUTLIER -139.84 24.05 2.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.25 -0.906 . . . . 0.0 110.086 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.447 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -76.89 -58.27 1.08 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.252 -0.905 . . . . 0.0 109.952 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.447 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 48.1 Cg_endo -74.57 -48.16 0.2 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.432 1.228 . . . . 0.0 110.184 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 14.6 tpt 54.44 99.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.315 -0.865 . . . . 0.0 110.141 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -110.71 -90.45 0.48 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.114 -0.991 . . . . 0.0 110.483 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.421 ' HG3' ' N ' ' B' ' 18' ' ' SER . 24.7 ptt? -176.81 -32.05 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.276 -0.89 . . . . 0.0 110.666 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' B' ' 17' ' ' MET . 3.4 m 62.09 159.26 0.12 Allowed Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 121.131 -0.981 . . . . 0.0 110.182 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' B' ' 21' ' ' ALA . 45.0 Cg_endo -70.56 -13.38 32.61 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.727 1.383 . . . . 0.0 111.286 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' B' ' 24' ' ' GLN . 0.1 OUTLIER 64.4 -69.63 0.09 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.418 -0.801 . . . . 0.0 110.939 179.715 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.18 -52.7 14.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.122 -0.986 . . . . 0.0 110.29 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.448 ' C ' ' CD2' ' B' ' 22' ' ' LEU . 5.3 tt -67.53 -68.65 0.37 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.499 -0.751 . . . . 0.0 109.09 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.403 ' N ' HD21 ' B' ' 22' ' ' LEU . 21.1 tt0 -43.97 -29.76 0.62 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.712 -0.618 . . . . 0.0 111.057 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' B' ' 20' ' ' LYS . 14.2 tm0? -80.17 -31.74 38.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -0.999 . . . . 0.0 110.107 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -73.02 -49.53 28.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 110.187 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.434 ' CD1' HD22 ' B' ' 22' ' ' LEU . 73.8 mt -60.06 -45.7 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.911 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -58.89 -23.01 60.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.254 -0.904 . . . . 0.0 110.366 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.06 -34.16 38.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.189 -0.944 . . . . 0.0 110.296 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 17.2 mt -78.6 -38.87 38.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 0.0 110.139 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.42 ' N ' HD22 ' B' ' 52' ' ' LEU . 1.6 tt0 -55.78 -45.16 78.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 0.0 110.207 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.14 -28.35 72.92 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 tp -58.36 -41.98 85.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.308 -1.113 . . . . 0.0 110.184 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' MET . . . . . 0.484 ' HE2' ' CZ ' ' A' ' 42' ' ' PHE . 7.7 mtp -56.38 -42.94 78.68 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.158 -0.963 . . . . 0.0 110.293 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' MET . . . . . 0.421 ' CE ' ' O ' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -51.12 -37.44 45.99 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.272 -0.893 . . . . 0.0 110.638 -179.684 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -78.06 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.164 -0.96 . . . . 0.0 110.64 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.479 ' CB ' ' CB ' ' B' ' 45' ' ' ALA . 5.0 m170 -54.75 -52.5 62.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.326 -0.859 . . . . 0.0 110.936 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.414 ' HA ' ' HB3' ' B' ' 42' ' ' PHE . . . -46.52 -30.71 2.36 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.301 -0.875 . . . . 0.0 110.341 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.422 ' O ' ' CE ' ' A' ' 34' ' ' MET . 18.6 mt-30 -79.78 -34.85 39.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.374 -0.829 . . . . 0.0 109.451 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -95.29 25.04 4.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.359 -0.838 . . . . 0.0 109.528 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mp 54.43 28.95 10.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.483 -0.761 . . . . 0.0 110.631 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -107.17 18.44 21.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.232 -0.918 . . . . 0.0 109.9 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.528 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 6.1 p90 -61.21 -8.22 3.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.367 -0.833 . . . . 0.0 111.982 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -49.29 -67.95 0.22 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.444 -1.41 . . . . 0.0 109.322 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -81.66 -19.33 41.91 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.445 -0.784 . . . . 0.0 109.69 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.479 ' CB ' ' CB ' ' B' ' 36' ' ' HIS . . . -77.56 -51.1 11.23 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.373 -0.83 . . . . 0.0 111.52 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.533 ' CB ' ' CE1' ' A' ' 42' ' ' PHE . . . -50.55 -24.22 3.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.099 -1.0 . . . . 0.0 110.434 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -52.95 -31.88 42.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.068 -1.02 . . . . 0.0 109.592 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 66.8 mt -53.85 -27.71 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.369 -0.832 . . . . 0.0 109.055 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.439 ' CZ ' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -51.65 -34.69 39.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.503 -0.748 . . . . 0.0 109.156 178.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.439 ' HA ' ' CZ ' ' B' ' 49' ' ' ARG . 10.2 t70 -66.67 -35.63 80.6 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.378 -0.826 . . . . 0.0 109.343 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.416 ' O ' ' CD1' ' B' ' 55' ' ' LEU . 27.6 mt-30 -76.2 -38.28 56.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.442 -0.786 . . . . 0.0 109.583 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.42 HD22 ' N ' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -67.49 -43.45 80.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 0.0 110.007 179.66 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -71.73 -40.33 69.49 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.384 -0.822 . . . . 0.0 110.102 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.51 -44.74 74.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.948 . . . . 0.0 109.975 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.428 ' HB3' ' CD1' ' B' ' 26' ' ' ILE . 2.4 mt -59.84 -23.74 63.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.248 -0.907 . . . . 0.0 110.12 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -53.17 -47.85 68.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.284 -0.885 . . . . 0.0 110.141 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -63.12 -44.46 95.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.228 -0.92 . . . . 0.0 109.944 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -22.17 43.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.356 -0.84 . . . . 0.0 110.149 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . 0.42 ' HA ' ' CD1' ' B' ' 22' ' ' LEU . 8.5 t80 -53.24 -45.25 68.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.344 -0.848 . . . . 0.0 110.198 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 84.1 mt -76.61 -35.62 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.183 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.63 -24.35 65.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.224 -0.923 . . . . 0.0 110.131 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.47 -73.66 0.47 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.283 -0.886 . . . . 0.0 110.223 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.164 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.282 0.563 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 35.7 mt-10 -139.82 52.51 3.78 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.276 -0.89 . . . . 0.0 110.242 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 46.5 Cg_endo -72.87 -51.63 0.17 Allowed 'Trans proline' 0 C--N 1.31 -1.456 0 O-C-N 123.811 1.427 . . . . 0.0 110.364 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.08 -80.06 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.406 -0.809 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -172.31 34.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.231 -0.918 . . . . 0.0 110.191 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.482 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 2.3 t -81.68 -48.66 0.98 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 110.046 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 13' ' ' VAL . 52.6 Cg_endo -84.29 -44.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.327 1.172 . . . . 0.0 109.749 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 ttm -53.93 129.42 33.93 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.504 -0.748 . . . . 0.0 110.424 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 52.35 54.92 9.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.232 -0.918 . . . . 0.0 110.336 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -55.95 -34.33 65.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.202 -0.937 . . . . 0.0 110.119 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.432 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 4.2 m -85.61 168.11 21.54 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.215 -0.928 . . . . 0.0 110.193 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' ALA . 46.8 Cg_endo -85.73 19.45 1.39 Allowed 'Trans proline' 0 C--N 1.313 -1.329 0 O-C-N 123.711 1.374 . . . . 0.0 111.667 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? 64.39 -67.69 0.11 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.284 -0.885 . . . . 0.0 111.512 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.25 -47.09 18.13 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.113 -0.992 . . . . 0.0 110.914 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 9.3 mp -80.5 -41.32 24.5 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.891 . . . . 0.0 109.316 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.432 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 7.0 tt0 -51.72 -45.47 63.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.715 -0.615 . . . . 0.0 110.318 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -73.94 -47.2 39.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.221 -0.925 . . . . 0.0 110.227 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -58.25 -44.28 88.24 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.246 -0.909 . . . . 0.0 110.243 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.77 -54.34 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.174 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -25.35 64.07 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.294 -0.879 . . . . 0.0 110.221 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -79.98 -50.06 10.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.24 -0.913 . . . . 0.0 110.214 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.423 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . 4.8 mp -63.36 -34.82 78.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 0.0 110.217 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.11 -40.37 85.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -0.885 . . . . 0.0 110.201 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.45 -30.32 53.95 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 tp -64.81 -28.97 69.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.223 -1.163 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -60.28 3.83 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.239 -0.913 . . . . 0.0 110.292 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.5 mtp -58.23 -31.34 67.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.308 -0.87 . . . . 0.0 110.423 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.93 -76.06 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.316 -0.865 . . . . 0.0 110.424 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.463 ' CE1' ' OE1' ' A' ' 44' ' ' GLU . 17.1 m170 -56.42 -48.64 76.57 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.163 -0.961 . . . . 0.0 110.324 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.24 -39.77 31.51 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.177 -0.952 . . . . 0.0 109.9 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -64.03 -33.63 76.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 0.0 109.34 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -91.57 17.55 8.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.403 -0.811 . . . . 0.0 109.663 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mp 55.91 24.26 7.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.462 -0.774 . . . . 0.0 110.963 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -44.5 73.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.125 -0.984 . . . . 0.0 108.89 178.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.541 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 4.5 m-85 48.86 -177.58 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.721 -0.612 . . . . 0.0 111.328 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 36.3 tt0 65.87 -63.41 0.22 Allowed 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.793 0.806 . . . . 0.0 109.043 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 14.7 pt-20 -82.58 -30.63 29.47 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 121.374 0.607 . . . . 0.0 109.727 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -81.01 -46.65 14.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 111.146 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.529 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -74.88 -19.42 60.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.166 -0.959 . . . . 0.0 111.001 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 28.3 mt-30 -72.18 -38.32 69.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.962 -1.086 . . . . 0.0 110.012 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.6 mm -50.1 -28.49 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.155 -0.965 . . . . 0.0 109.833 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -54.43 -24.7 21.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.42 -0.8 . . . . 0.0 109.26 179.202 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 26.1 t70 -78.27 -33.34 49.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.836 . . . . 0.0 109.832 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.41 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 26.8 mt-30 -78.18 -41.04 35.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.386 -0.821 . . . . 0.0 109.912 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.423 ' CD2' ' HB3' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.8 -40.9 98.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.343 -0.848 . . . . 0.0 110.105 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -72.18 -42.4 65.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.851 . . . . 0.0 110.138 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -66.19 -37.47 85.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 110.152 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.41 ' CD1' ' O ' ' A' ' 51' ' ' GLN . 0.1 OUTLIER -64.83 -21.74 66.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.324 -0.86 . . . . 0.0 110.226 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -60.47 -64.12 1.06 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 110.151 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -54.77 -23.76 19.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.257 -0.902 . . . . 0.0 110.155 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -20.12 65.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.356 -0.84 . . . . 0.0 110.227 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 17.3 t80 -52.62 -39.97 62.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.232 -0.918 . . . . 0.0 110.231 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mt -75.09 -44.51 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -0.89 . . . . 0.0 110.171 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.53 -24.35 65.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.3 -0.875 . . . . 0.0 110.199 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.12 -62.84 1.23 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.306 -0.871 . . . . 0.0 110.139 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.225 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.285 0.564 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' B' ' 10' ' ' PRO . 36.1 mt-10 -139.89 52.52 3.74 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.203 -0.935 . . . . 0.0 110.276 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' B' ' 9' ' ' GLU . 46.1 Cg_endo -72.87 -51.56 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.716 1.377 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.05 -80.09 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.498 -0.751 . . . . 0.0 110.328 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 10' ' ' PRO . 0.1 OUTLIER -172.28 34.96 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.18 -0.95 . . . . 0.0 110.208 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.48 ' N ' ' CD ' ' B' ' 14' ' ' PRO . 2.3 t -81.68 -48.61 0.98 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.202 -0.936 . . . . 0.0 110.092 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' B' ' 13' ' ' VAL . 52.2 Cg_endo -84.31 -44.35 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.378 1.199 . . . . 0.0 109.703 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 9.2 ttm -53.89 129.42 33.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.519 -0.738 . . . . 0.0 110.412 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 52.31 54.91 9.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.205 -0.935 . . . . 0.0 110.383 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -55.86 -34.38 65.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.23 -0.919 . . . . 0.0 110.173 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.434 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 4.3 m -85.62 168.04 21.88 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.297 -0.877 . . . . 0.0 110.186 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.421 ' HG2' ' HB2' ' B' ' 22' ' ' LEU . 47.1 Cg_endo -85.77 19.55 1.38 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 O-C-N 123.652 1.343 . . . . 0.0 111.711 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? 64.4 -67.75 0.11 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.198 -0.939 . . . . 0.0 111.498 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.3 -47.02 18.39 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.113 -0.992 . . . . 0.0 110.956 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 9.3 mp -80.48 -41.24 24.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.295 -0.878 . . . . 0.0 109.35 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.434 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 7.0 tt0 -51.73 -45.54 63.66 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.686 -0.634 . . . . 0.0 110.281 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -73.88 -47.26 39.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 110.193 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -58.19 -44.35 88.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.227 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.81 -54.24 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 0.0 110.167 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.39 -25.33 64.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.248 -0.907 . . . . 0.0 110.188 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -80.01 -49.99 11.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.223 -0.923 . . . . 0.0 110.24 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.421 ' HB3' ' CD2' ' B' ' 52' ' ' LEU . 4.7 mp -63.41 -34.71 78.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.868 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.2 -40.4 85.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.243 -0.911 . . . . 0.0 110.193 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.42 -30.29 54.13 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 tp -64.81 -29.1 70.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -1.154 . . . . 0.0 110.255 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' MET . . . . . 0.402 ' HG3' ' HB ' ' B' ' 48' ' ' ILE . 0.0 OUTLIER -62.09 -60.36 3.72 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.285 -0.884 . . . . 0.0 110.281 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 6.5 mtp -58.2 -31.26 67.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.297 -0.877 . . . . 0.0 110.418 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -75.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.24 -0.913 . . . . 0.0 110.433 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.465 ' CE1' ' OE1' ' B' ' 44' ' ' GLU . 17.2 m170 -56.33 -48.75 76.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.143 -0.973 . . . . 0.0 110.378 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.22 -39.88 31.56 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.149 -0.969 . . . . 0.0 109.913 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -63.86 -33.57 75.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 109.402 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -91.68 17.65 8.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.421 -0.799 . . . . 0.0 109.735 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mp 55.96 24.16 7.38 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.448 -0.782 . . . . 0.0 110.925 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.63 -44.48 74.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.116 -0.99 . . . . 0.0 108.88 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.529 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 4.3 m-85 48.86 -177.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.771 -0.58 . . . . 0.0 111.263 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 36.4 tt0 65.97 -63.47 0.23 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 121.766 0.793 . . . . 0.0 109.044 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.465 ' OE1' ' CE1' ' B' ' 36' ' ' HIS . 14.7 pt-20 -82.64 -30.53 29.3 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-O 121.361 0.6 . . . . 0.0 109.727 178.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.99 -46.53 14.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.336 -0.852 . . . . 0.0 111.113 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.541 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -75.03 -19.54 59.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.95 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 28.3 mt-30 -72.05 -38.39 69.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.902 -1.124 . . . . 0.0 110.052 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.402 ' HB ' ' HG3' ' B' ' 33' ' ' MET . 35.3 mm -50.13 -28.44 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.135 -0.978 . . . . 0.0 109.849 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.439 ' CZ ' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -54.49 -24.61 21.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.424 -0.798 . . . . 0.0 109.298 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.439 ' HA ' ' CZ ' ' B' ' 49' ' ' ARG . 26.1 t70 -78.33 -33.31 49.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.78 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.416 ' O ' ' CD1' ' B' ' 55' ' ' LEU . 26.7 mt-30 -78.17 -41.0 36.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.344 -0.847 . . . . 0.0 109.985 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -62.91 -40.87 98.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.361 -0.837 . . . . 0.0 110.022 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -72.24 -42.36 65.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.306 -0.872 . . . . 0.0 110.177 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -66.15 -37.55 85.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.293 -0.879 . . . . 0.0 110.153 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' B' ' 51' ' ' GLN . 0.1 OUTLIER -64.82 -21.8 66.86 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.223 -0.923 . . . . 0.0 110.169 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -60.31 -64.2 1.03 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 0.0 110.202 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -54.74 -23.74 19.15 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.0 110.146 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -20.1 65.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -0.887 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . 0.419 ' C ' ' CD1' ' B' ' 59' ' ' PHE . 17.2 t80 -52.55 -39.97 62.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.175 -0.953 . . . . 0.0 110.314 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mt -75.1 -44.49 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.256 -0.903 . . . . 0.0 110.138 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.65 -24.35 65.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.208 -0.932 . . . . 0.0 110.176 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.96 -62.83 1.23 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.249 -0.907 . . . . 0.0 110.266 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.228 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.193 0.52 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -155.3 62.59 3.39 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.841 . . . . 0.0 110.13 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.8 Cg_endo -72.87 -47.61 0.33 Allowed 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.726 1.382 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.07 -79.91 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.437 -0.789 . . . . 0.0 110.465 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -153.32 29.94 0.49 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.209 -0.932 . . . . 0.0 110.262 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.475 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 2.1 t -78.86 -50.33 1.48 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.237 -0.914 . . . . 0.0 109.857 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 13' ' ' VAL . 50.7 Cg_endo -80.77 -56.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.364 1.192 . . . . 0.0 109.736 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttt -176.51 156.54 1.52 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.447 -0.783 . . . . 0.0 110.109 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -176.28 80.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptm -115.87 -21.46 9.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.439 -0.788 . . . . 0.0 110.086 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.4 m -160.93 167.89 12.7 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.312 -0.868 . . . . 0.0 110.102 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HG2' HD11 ' A' ' 22' ' ' LEU . 46.5 Cg_endo -85.47 18.64 1.53 Allowed 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.685 1.361 . . . . 0.0 111.633 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.39 -67.35 0.11 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.285 -0.884 . . . . 0.0 111.515 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.36 -45.73 17.88 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.114 -0.991 . . . . 0.0 110.927 -179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 9.7 mp -80.67 -41.62 23.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -0.926 . . . . 0.0 109.382 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -50.99 -49.06 61.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.652 -0.655 . . . . 0.0 110.471 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 31.9 tp60 -74.28 -30.46 62.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -70.61 -45.38 65.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.22 -0.925 . . . . 0.0 110.242 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.88 -45.22 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.327 -0.858 . . . . 0.0 110.262 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -67.03 -23.13 65.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.233 -0.917 . . . . 0.0 110.293 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 3.1 mm-40 -80.07 -38.02 32.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 110.308 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -77.07 -36.66 55.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 0.0 110.23 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.423 ' HG2' ' CD2' ' B' ' 40' ' ' LEU . 1.2 tm-20 -54.14 -46.66 72.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.16 -0.963 . . . . 0.0 110.2 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.1 -29.25 72.28 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.83 -40.04 91.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -1.09 . . . . 0.0 110.176 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.0 mtp -51.66 -36.92 48.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.284 -0.885 . . . . 0.0 110.477 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.9 ttm -80.26 -30.89 38.48 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.153 -0.967 . . . . 0.0 110.648 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.77 -81.07 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.2 -0.938 . . . . 0.0 110.874 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -56.59 -33.38 66.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.07 -1.019 . . . . 0.0 110.304 -179.764 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.428 ' N ' ' HB3' ' A' ' 42' ' ' PHE . . . -50.84 -39.82 54.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.116 -0.99 . . . . 0.0 110.112 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -58.89 -40.59 84.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.358 -0.839 . . . . 0.0 110.113 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -90.64 17.46 7.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.266 -0.896 . . . . 0.0 110.222 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.409 ' CD2' ' HG2' ' B' ' 30' ' ' GLU . 1.6 mp 55.0 21.59 3.85 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.28 -0.888 . . . . 0.0 110.532 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -108.76 21.36 17.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.304 -0.873 . . . . 0.0 109.706 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.571 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -78.29 23.08 0.3 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.233 -0.917 . . . . 0.0 113.415 -178.674 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HB2' ' CD ' ' B' ' 49' ' ' ARG . 50.5 tt0 -52.93 -57.07 11.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.625 -1.297 . . . . 0.0 107.868 178.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 8.4 pt-20 -81.55 -24.7 36.4 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.571 ' CB ' ' HA ' ' A' ' 42' ' ' PHE . . . -69.23 -50.95 42.52 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.225 -0.922 . . . . 0.0 110.735 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.498 ' HA ' ' CZ ' ' B' ' 42' ' ' PHE . . . -55.99 -27.23 51.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.113 -0.992 . . . . 0.0 110.354 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -56.8 -30.49 63.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.06 -1.025 . . . . 0.0 109.44 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.35 -27.37 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.261 -0.9 . . . . 0.0 109.451 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.443 ' CD ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -53.49 -27.06 23.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.492 -0.755 . . . . 0.0 109.295 179.249 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 9.9 t0 -76.3 -33.98 59.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 0.0 109.819 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -78.95 -30.84 44.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.311 -0.868 . . . . 0.0 109.894 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -41.2 97.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.424 -0.797 . . . . 0.0 110.212 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 11.9 t-80 -80.19 -26.16 39.35 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.339 -0.85 . . . . 0.0 110.335 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -80.84 -34.78 33.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.034 -1.041 . . . . 0.0 110.479 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -26.52 67.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.258 -0.901 . . . . 0.0 111.157 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -60.98 -24.51 66.17 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.984 -1.073 . . . . 0.0 110.36 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.85 -38.63 61.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.202 -0.936 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -19.81 20.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.325 -0.859 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -48.25 -42.34 30.17 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.256 -0.903 . . . . 0.0 110.551 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.7 mt -75.11 -33.74 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.0 110.249 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.21 -19.06 58.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.226 -0.921 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.39 -55.99 2.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 110.25 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.218 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.266 0.555 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -155.24 62.63 3.43 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.216 -0.927 . . . . 0.0 110.19 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.5 Cg_endo -72.86 -47.62 0.33 Allowed 'Trans proline' 0 C--N 1.311 -1.437 0 O-C-N 123.742 1.391 . . . . 0.0 110.43 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.16 -79.88 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.423 -0.798 . . . . 0.0 110.472 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 10' ' ' PRO . 0.2 OUTLIER -153.37 29.95 0.48 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.228 -0.92 . . . . 0.0 110.245 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.475 ' N ' ' CD ' ' B' ' 14' ' ' PRO . 2.1 t -78.89 -50.22 1.48 Allowed Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.169 -0.957 . . . . 0.0 109.898 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' B' ' 13' ' ' VAL . 50.1 Cg_endo -80.92 -56.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.434 1.229 . . . . 0.0 109.706 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttt -176.52 156.57 1.52 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.384 -0.823 . . . . 0.0 110.087 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -176.41 80.35 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.928 . . . . 0.0 110.01 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptm -115.77 -21.56 9.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.537 -0.727 . . . . 0.0 110.138 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 74.2 m -161.0 167.86 12.73 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.189 -0.944 . . . . 0.0 110.072 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' B' ' 21' ' ' ALA . 46.7 Cg_endo -85.35 18.52 1.56 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.677 1.356 . . . . 0.0 111.608 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.55 -67.43 0.11 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.262 -0.899 . . . . 0.0 111.479 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.28 -45.76 17.48 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.156 -0.965 . . . . 0.0 110.992 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.482 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 9.6 mp -80.7 -41.5 23.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 0.0 109.396 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -51.08 -49.03 61.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.732 -0.605 . . . . 0.0 110.423 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.42 ' O ' ' CG ' ' B' ' 28' ' ' GLU . 31.9 tp60 -74.36 -30.44 62.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.277 -0.89 . . . . 0.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -70.63 -45.34 65.37 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.174 -0.953 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 77.5 mt -69.76 -45.28 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 0.0 110.327 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -66.96 -23.15 65.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.169 -0.957 . . . . 0.0 110.335 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' B' ' 24' ' ' GLN . 3.2 mm-40 -80.09 -37.91 32.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.202 -0.936 . . . . 0.0 110.308 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 mp -77.1 -36.81 55.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.11 -0.994 . . . . 0.0 110.13 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.412 ' N ' HD22 ' B' ' 52' ' ' LEU . 1.2 tm-20 -54.02 -46.78 71.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.258 -0.901 . . . . 0.0 110.174 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.95 -29.33 72.48 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.86 -39.96 91.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.37 -1.076 . . . . 0.0 110.138 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 20.9 mtp -51.67 -36.97 48.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.33 -0.856 . . . . 0.0 110.418 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.9 ttm -80.24 -30.8 38.56 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.194 -0.941 . . . . 0.0 110.707 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -81.16 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.289 -0.882 . . . . 0.0 110.807 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -33.53 65.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.996 -1.065 . . . . 0.0 110.321 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.436 ' N ' ' HB3' ' B' ' 42' ' ' PHE . . . -50.72 -39.88 52.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.205 -0.935 . . . . 0.0 110.097 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -58.95 -40.48 84.85 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.39 -0.818 . . . . 0.0 110.065 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -90.75 17.44 7.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.291 -0.881 . . . . 0.0 110.196 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.423 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 1.6 mp 55.12 21.61 4.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.172 -0.955 . . . . 0.0 110.459 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -108.74 21.36 17.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.252 -0.905 . . . . 0.0 109.652 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.573 ' HA ' ' CB ' ' B' ' 45' ' ' ALA . 0.0 OUTLIER -78.35 23.21 0.3 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.254 -0.903 . . . . 0.0 113.369 -178.67 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.443 ' HB2' ' CD ' ' A' ' 49' ' ' ARG . 51.1 tt0 -52.89 -57.14 11.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.58 -1.325 . . . . 0.0 107.87 177.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 8.4 pt-20 -81.57 -24.68 36.36 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.573 ' CB ' ' HA ' ' B' ' 42' ' ' PHE . . . -69.27 -50.85 43.15 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.178 -0.951 . . . . 0.0 110.801 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.495 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . . . -56.08 -27.15 52.43 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.134 -0.979 . . . . 0.0 110.349 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -56.84 -30.45 63.79 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.026 -1.046 . . . . 0.0 109.437 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.43 -27.22 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.324 -0.86 . . . . 0.0 109.491 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -53.63 -26.91 24.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.515 -0.741 . . . . 0.0 109.334 179.261 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' B' ' 49' ' ' ARG . 9.9 t0 -76.38 -33.98 58.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.357 -0.839 . . . . 0.0 109.845 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -78.91 -30.9 45.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.291 -0.881 . . . . 0.0 109.912 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.412 HD22 ' N ' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -63.84 -41.27 97.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.339 -0.851 . . . . 0.0 110.117 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 12.0 t-80 -80.09 -26.24 39.66 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 110.424 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -80.69 -34.88 34.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 110.51 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -26.46 67.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.23 -0.919 . . . . 0.0 111.102 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 53' ' ' HIS . 0.1 OUTLIER -61.05 -24.5 66.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.067 -1.021 . . . . 0.0 110.367 -179.634 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.76 -38.65 62.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 110.086 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -19.79 20.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.262 -0.899 . . . . 0.0 110.379 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -48.27 -42.32 30.34 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.225 -0.922 . . . . 0.0 110.624 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 53.2 mt -75.19 -33.73 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.168 -0.957 . . . . 0.0 110.165 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.2 -19.01 58.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.244 -0.91 . . . . 0.0 110.317 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.38 -55.95 2.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.221 -0.925 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.172 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.238 0.542 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -122.77 60.81 15.25 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.242 -0.911 . . . . 0.0 110.15 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.5 Cg_endo -72.82 -42.11 1.23 Allowed 'Trans proline' 0 C--N 1.311 -1.424 0 O-C-N 123.715 1.376 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.13 -77.52 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.401 -0.812 . . . . 0.0 109.689 -179.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.46 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 63.0 m-20 -124.19 -30.04 3.5 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.144 -0.973 . . . . 0.0 109.527 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.478 ' CB ' ' HD3' ' A' ' 14' ' ' PRO . 0.9 OUTLIER -178.63 -51.23 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.52 -0.738 . . . . 0.0 109.696 -179.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 13' ' ' VAL . 48.7 Cg_endo -90.49 -81.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.378 1.199 . . . . 0.0 110.613 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.48 -144.98 0.14 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.156 -0.965 . . . . 0.0 109.984 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -152.92 71.7 0.93 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.002 -1.062 . . . . 0.0 109.921 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.6 ptm -117.96 -19.85 8.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.587 -0.696 . . . . 0.0 110.395 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -106.62 164.22 15.35 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.117 -0.989 . . . . 0.0 110.394 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HG2' ' HB3' ' A' ' 22' ' ' LEU . 50.5 Cg_endo -73.69 -1.2 10.41 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.798 1.42 . . . . 0.0 111.686 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.65 -66.68 0.15 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.184 -0.947 . . . . 0.0 111.114 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -51.13 -62.86 1.36 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.988 -1.07 . . . . 0.0 110.364 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.473 ' CD1' ' CD1' ' A' ' 26' ' ' ILE . 2.7 tp -62.3 -56.97 13.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.365 -0.834 . . . . 0.0 109.51 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -48.23 -42.53 30.53 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.312 -0.867 . . . . 0.0 110.451 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.06 -36.58 84.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.244 -0.91 . . . . 0.0 109.854 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -48.67 59.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.316 -0.865 . . . . 0.0 109.992 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.473 ' CD1' ' CD1' ' A' ' 22' ' ' LEU . 41.8 mt -52.86 -56.53 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.908 . . . . 0.0 110.079 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -55.16 -22.42 17.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 110.118 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -37.42 34.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.101 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.411 ' CB ' ' CD2' ' A' ' 52' ' ' LEU . 26.7 mt -77.16 -41.53 41.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 110.043 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' N ' HD22 ' A' ' 52' ' ' LEU . 1.2 tm-20 -62.77 -44.88 95.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.284 -0.885 . . . . 0.0 109.913 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.82 -34.7 90.65 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tp -65.64 -34.1 77.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.224 -1.162 . . . . 0.0 109.934 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.489 ' HE2' ' CZ ' ' B' ' 42' ' ' PHE . 1.6 mtp -59.67 -61.16 2.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.306 -0.871 . . . . 0.0 110.165 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 mtt -47.49 -42.03 22.08 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.389 -0.819 . . . . 0.0 110.779 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.76 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.167 -0.958 . . . . 0.0 110.224 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.475 ' CB ' ' CB ' ' A' ' 45' ' ' ALA . 72.1 m80 -51.36 -51.96 49.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.341 -0.849 . . . . 0.0 110.609 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.35 -32.5 7.57 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.278 -0.889 . . . . 0.0 110.122 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -75.16 -36.24 61.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -94.78 23.96 5.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.457 -0.777 . . . . 0.0 109.727 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 5.0 mp 55.73 30.56 15.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.425 -0.797 . . . . 0.0 110.654 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 13.2 mm-40 -109.25 17.65 21.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.177 -0.952 . . . . 0.0 110.04 179.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.535 ' CE1' ' CB ' ' B' ' 46' ' ' ALA . 5.0 p90 -61.82 -7.58 3.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.396 -0.815 . . . . 0.0 112.044 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -50.33 -67.77 0.23 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.501 -1.374 . . . . 0.0 109.204 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 2.2 pt-20 -81.54 -19.57 41.81 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.578 -0.701 . . . . 0.0 109.725 178.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.475 ' CB ' ' CB ' ' A' ' 36' ' ' HIS . . . -76.84 -50.22 13.92 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.404 -0.81 . . . . 0.0 111.224 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.542 ' CB ' ' CE1' ' B' ' 42' ' ' PHE . . . -50.24 -25.79 4.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.103 -0.998 . . . . 0.0 110.401 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -50.96 -25.66 4.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.005 -1.06 . . . . 0.0 109.756 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mt -65.0 -29.08 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.441 -0.787 . . . . 0.0 109.749 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -48.66 -28.01 3.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.307 -0.871 . . . . 0.0 110.267 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.14 -45.17 23.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.397 -0.814 . . . . 0.0 109.712 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.419 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 15.9 mt-30 -68.22 -37.11 80.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.3 -0.875 . . . . 0.0 109.851 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -62.4 -41.95 99.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.342 -0.849 . . . . 0.0 110.114 179.798 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -69.91 -48.27 59.25 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.316 -0.865 . . . . 0.0 110.193 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.66 -44.73 96.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.201 -0.937 . . . . 0.0 110.217 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.419 ' CD1' ' O ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -62.84 -28.48 70.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -0.888 . . . . 0.0 110.195 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -56.58 -60.45 3.52 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.283 -0.886 . . . . 0.0 110.16 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.7 pt-20 -59.57 -22.87 62.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.897 . . . . 0.0 110.106 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 2.8 mt -72.4 -19.95 61.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 0.0 110.307 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.33 -45.62 65.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.0 mt -73.39 -36.23 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.2 -0.938 . . . . 0.0 110.177 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.97 -20.29 61.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.0 110.274 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.5 -62.29 1.52 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 110.197 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.222 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.243 0.544 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -122.87 60.87 15.72 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 0.0 110.146 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' B' ' 12' ' ' ASN . 45.1 Cg_endo -72.86 -42.22 1.17 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 O-C-N 123.721 1.38 . . . . 0.0 110.801 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.19 -77.62 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.295 -0.878 . . . . 0.0 109.706 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.448 ' O ' ' CG2' ' B' ' 13' ' ' VAL . 63.1 m-20 -124.11 -29.96 3.53 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.073 -1.017 . . . . 0.0 109.602 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.485 ' CB ' ' HD3' ' B' ' 14' ' ' PRO . 0.9 OUTLIER -178.63 -51.27 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.57 -0.706 . . . . 0.0 109.744 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.485 ' HD3' ' CB ' ' B' ' 13' ' ' VAL . 48.8 Cg_endo -90.41 -81.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.316 -1.168 0 O-C-N 123.42 1.221 . . . . 0.0 110.725 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.41 -144.87 0.13 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.183 -0.948 . . . . 0.0 110.03 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -152.96 71.7 0.93 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.025 -1.047 . . . . 0.0 109.899 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 9.6 ptm -117.95 -19.85 9.0 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.655 -0.653 . . . . 0.0 110.393 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -106.65 164.21 15.37 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.138 -0.976 . . . . 0.0 110.366 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' B' ' 21' ' ' ALA . 50.1 Cg_endo -73.8 -1.06 10.26 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.786 1.414 . . . . 0.0 111.649 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.67 -66.8 0.15 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.17 -0.956 . . . . 0.0 111.019 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -51.1 -62.8 1.39 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.067 -1.021 . . . . 0.0 110.334 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.463 ' CD1' ' CD1' ' B' ' 26' ' ' ILE . 2.6 tp -62.35 -57.01 12.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.862 . . . . 0.0 109.516 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -48.16 -42.51 29.77 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.346 -0.846 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.03 -36.75 85.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.207 -0.933 . . . . 0.0 109.8 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -48.72 59.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.34 -0.85 . . . . 0.0 109.938 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.463 ' CD1' ' CD1' ' B' ' 22' ' ' LEU . 41.6 mt -52.8 -56.48 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 110.089 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -55.26 -22.32 17.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 110.118 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.88 -37.37 34.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.215 -0.928 . . . . 0.0 110.162 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.415 ' CB ' ' CD2' ' B' ' 52' ' ' LEU . 26.8 mt -77.24 -41.58 40.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.027 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.421 ' N ' HD22 ' B' ' 52' ' ' LEU . 1.2 tm-20 -62.7 -44.81 95.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -0.885 . . . . 0.0 109.968 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.96 -34.67 90.55 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tp -65.62 -34.04 77.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.313 -1.11 . . . . 0.0 109.949 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' MET . . . . . 0.484 ' HE2' ' CZ ' ' A' ' 42' ' ' PHE . 1.6 mtp -59.74 -61.17 2.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.348 -0.845 . . . . 0.0 110.123 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mtt -47.44 -42.02 21.59 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.372 -0.83 . . . . 0.0 110.878 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.72 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.281 -0.887 . . . . 0.0 110.178 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.471 ' CB ' ' CB ' ' B' ' 45' ' ' ALA . 71.8 m80 -51.3 -52.07 48.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.386 -0.821 . . . . 0.0 110.565 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.28 -32.49 7.37 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.226 -0.921 . . . . 0.0 110.097 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -75.25 -36.19 61.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -0.856 . . . . 0.0 109.492 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -94.73 23.84 5.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.501 -0.749 . . . . 0.0 109.73 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' B' ' 40' ' ' LEU . 5.0 mp 55.74 30.66 16.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.521 -0.737 . . . . 0.0 110.673 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.407 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 13.2 mm-40 -109.35 17.53 21.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.159 -0.963 . . . . 0.0 110.009 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.542 ' CE1' ' CB ' ' A' ' 46' ' ' ALA . 5.0 p90 -61.66 -7.81 3.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.443 -0.786 . . . . 0.0 112.026 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -50.21 -67.73 0.23 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.448 -1.407 . . . . 0.0 109.188 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 2.2 pt-20 -81.64 -19.46 41.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.444 -0.785 . . . . 0.0 109.684 178.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.471 ' CB ' ' CB ' ' B' ' 36' ' ' HIS . . . -76.91 -50.46 13.24 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.33 -0.856 . . . . 0.0 111.269 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.535 ' CB ' ' CE1' ' A' ' 42' ' ' PHE . . . -49.91 -26.05 3.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.114 -0.991 . . . . 0.0 110.359 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -50.75 -25.7 4.7 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.079 -1.013 . . . . 0.0 109.782 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mt -65.13 -28.97 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.471 -0.768 . . . . 0.0 109.667 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.8 OUTLIER -48.6 -28.13 3.25 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.286 -0.884 . . . . 0.0 110.257 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.21 -45.2 23.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.373 -0.83 . . . . 0.0 109.625 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.411 ' O ' ' CD1' ' B' ' 55' ' ' LEU . 16.0 mt-30 -68.18 -37.04 80.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 109.852 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.421 HD22 ' N ' ' B' ' 30' ' ' GLU . 0.5 OUTLIER -62.47 -41.92 99.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.302 -0.874 . . . . 0.0 110.108 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -69.87 -48.29 59.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 0.0 110.196 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.7 -44.77 96.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.198 -0.939 . . . . 0.0 110.128 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.411 ' CD1' ' O ' ' B' ' 51' ' ' GLN . 0.5 OUTLIER -62.78 -28.55 70.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.255 -0.903 . . . . 0.0 110.176 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -56.56 -60.42 3.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -0.911 . . . . 0.0 110.113 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.7 pt-20 -59.55 -22.98 62.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.237 -0.914 . . . . 0.0 110.068 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.421 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 2.9 mt -72.31 -19.96 61.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.26 -0.9 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.34 -45.63 65.74 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 54.8 mt -73.44 -36.27 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 110.154 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.8 -20.37 61.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.226 -0.921 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.48 -62.24 1.53 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.159 -0.963 . . . . 0.0 110.226 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.209 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.265 0.555 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -126.46 62.05 46.13 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 0.0 110.19 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.3 Cg_endo -72.98 -52.0 0.16 Allowed 'Trans proline' 0 C--N 1.31 -1.462 0 O-C-N 123.663 1.349 . . . . 0.0 110.442 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.47 -79.72 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.37 -0.831 . . . . 0.0 110.366 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' PRO . 2.2 p-10 -138.82 29.92 2.3 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.183 -0.948 . . . . 0.0 110.115 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.496 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 2.4 t -88.56 -46.6 0.45 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 110.457 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 13' ' ' VAL . 48.9 Cg_endo -86.06 -46.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.353 0 O-C-N 123.305 1.16 . . . . 0.0 109.86 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.39 -165.57 1.46 Allowed 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.38 -0.825 . . . . 0.0 110.267 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.17 67.68 0.95 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.259 -0.901 . . . . 0.0 109.964 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.2 ptm -176.15 -36.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.493 -0.754 . . . . 0.0 110.22 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 3.8 m 55.27 173.06 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.205 -0.934 . . . . 0.0 110.214 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.447 ' HG2' ' HB2' ' A' ' 22' ' ' LEU . 45.5 Cg_endo -85.37 16.79 1.89 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 O-C-N 123.695 1.366 . . . . 0.0 111.649 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.14 -67.45 0.11 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.321 -0.862 . . . . 0.0 111.608 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.02 -46.34 16.5 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.175 -0.953 . . . . 0.0 110.972 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.481 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 8.7 mp -80.62 -44.87 18.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.881 . . . . 0.0 109.486 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.43 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 18.2 tt0 -52.08 -38.08 56.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.684 -0.635 . . . . 0.0 110.367 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -77.67 -41.65 37.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.203 -0.935 . . . . 0.0 110.39 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -72.5 -40.23 67.04 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.249 -0.907 . . . . 0.0 110.282 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 22' ' ' LEU . 85.7 mt -66.56 -42.91 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.887 . . . . 0.0 110.31 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -76.88 -20.04 56.73 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 110.39 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 16.2 mm-40 -79.07 -53.49 6.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.185 -0.947 . . . . 0.0 110.328 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.2 mt -64.02 -27.64 69.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.222 -0.924 . . . . 0.0 110.282 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.44 -35.36 80.66 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.241 -0.912 . . . . 0.0 110.287 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.79 -23.3 69.98 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.64 -28.75 67.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.138 -1.213 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.0 mtp -61.44 -64.59 0.9 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.197 -0.94 . . . . 0.0 110.275 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.7 tpp -60.53 -31.4 70.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.271 -0.893 . . . . 0.0 110.297 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -76.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.229 -0.92 . . . . 0.0 110.274 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.47 ' CE1' ' OE1' ' A' ' 44' ' ' GLU . 19.9 m170 -59.53 -44.19 93.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 110.249 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.17 -39.11 27.92 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.103 -0.998 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -35.51 74.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.336 -0.853 . . . . 0.0 109.402 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.39 17.9 7.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.387 -0.82 . . . . 0.0 109.703 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 7.2 mp 55.03 23.93 5.58 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.402 -0.811 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -66.83 -44.22 81.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.984 . . . . 0.0 108.986 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 6.3 m-85 48.2 -175.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.634 -0.667 . . . . 0.0 111.198 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.492 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 31.4 tt0 65.94 -63.27 0.23 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.717 0.77 . . . . 0.0 109.027 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.47 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 15.8 pt-20 -82.67 -33.28 27.77 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.301 0.572 . . . . 0.0 109.921 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -81.12 -43.25 19.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.31 -0.868 . . . . 0.0 111.476 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.53 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -78.0 -26.17 48.41 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.09 -1.006 . . . . 0.0 111.367 -178.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 7.4 mm100 -65.1 -32.81 74.7 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.907 -1.121 . . . . 0.0 109.855 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.6 mm -51.97 -28.38 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.218 -0.926 . . . . 0.0 109.772 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -54.7 -27.58 41.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.375 -0.828 . . . . 0.0 109.365 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 14.0 t0 -77.87 -34.09 51.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 0.0 109.931 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -80.06 -40.03 28.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 110.068 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -44.05 94.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.249 -0.907 . . . . 0.0 110.145 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -66.69 -40.03 88.33 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 110.145 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.66 -42.08 82.75 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.12 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -22.08 64.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.212 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -56.43 -51.21 69.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.29 -0.881 . . . . 0.0 110.214 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.18 -35.3 76.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.24 -0.913 . . . . 0.0 110.244 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -24.06 42.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.206 -0.934 . . . . 0.0 110.219 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.403 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 21.6 t80 -54.05 -31.68 52.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 0.0 110.151 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mt -79.95 -28.97 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.0 110.254 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.65 -21.64 64.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.202 -0.936 . . . . 0.0 110.22 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.67 -64.13 1.12 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 110.246 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.286 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.298 0.57 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -126.59 62.11 47.41 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.294 -0.879 . . . . 0.0 110.141 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.5 Cg_endo -73.06 -51.88 0.16 Allowed 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.655 1.345 . . . . 0.0 110.501 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.36 -79.69 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.475 -0.766 . . . . 0.0 110.459 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 10' ' ' PRO . 2.2 p-10 -138.82 29.95 2.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.195 -0.941 . . . . 0.0 110.162 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.499 ' N ' ' CD ' ' B' ' 14' ' ' PRO . 2.4 t -88.57 -46.62 0.44 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 110.472 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' B' ' 13' ' ' VAL . 50.5 Cg_endo -85.93 -46.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.213 1.112 . . . . 0.0 109.89 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.27 -165.58 1.46 Allowed 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.302 -0.874 . . . . 0.0 110.278 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.26 67.58 0.96 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.301 -0.874 . . . . 0.0 110.035 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 19.2 ptm -176.14 -37.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.375 -0.828 . . . . 0.0 110.17 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 3.8 m 55.27 173.14 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.271 -0.893 . . . . 0.0 110.208 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.448 ' HG2' ' HB2' ' B' ' 22' ' ' LEU . 45.5 Cg_endo -85.45 16.79 1.89 Allowed 'Trans proline' 0 C--N 1.312 -1.349 0 O-C-N 123.686 1.361 . . . . 0.0 111.677 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 -67.56 0.1 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.251 -0.906 . . . . 0.0 111.632 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.97 -46.45 16.32 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.168 -0.957 . . . . 0.0 110.914 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 8.7 mp -80.44 -44.99 18.36 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.23 -0.919 . . . . 0.0 109.526 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.43 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 18.0 tt0 -52.05 -38.05 55.73 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.648 -0.658 . . . . 0.0 110.381 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' B' ' 28' ' ' GLU . 0.0 OUTLIER -77.75 -41.68 36.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.183 -0.948 . . . . 0.0 110.297 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -72.47 -40.26 67.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.164 -0.96 . . . . 0.0 110.305 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.427 ' CD1' ' HB3' ' B' ' 22' ' ' LEU . 86.0 mt -66.53 -42.96 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.208 -0.933 . . . . 0.0 110.314 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -76.79 -20.05 56.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 110.427 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' B' ' 24' ' ' GLN . 16.0 mm-40 -79.23 -53.38 7.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.912 . . . . 0.0 110.31 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.03 -27.61 69.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.353 -0.842 . . . . 0.0 110.38 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.36 -35.35 80.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.154 -0.966 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.9 -23.17 70.01 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.75 -28.81 67.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.198 -1.178 . . . . 0.0 110.3 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 5.0 mtp -61.3 -64.72 0.86 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.258 -0.901 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 41.6 tpp -60.41 -31.39 70.34 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 110.313 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -76.9 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.181 -0.949 . . . . 0.0 110.304 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.466 ' CE1' ' OE1' ' B' ' 44' ' ' GLU . 20.1 m170 -59.59 -44.11 93.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.148 -0.97 . . . . 0.0 110.31 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.23 -39.12 28.79 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.177 -0.952 . . . . 0.0 110.014 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -35.44 74.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.952 . . . . 0.0 109.395 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.41 17.99 7.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.482 -0.761 . . . . 0.0 109.713 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' B' ' 40' ' ' LEU . 7.2 mp 54.94 23.92 5.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.388 -0.82 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -66.75 -44.18 82.17 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.235 -0.916 . . . . 0.0 109.084 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.53 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 6.4 m-85 48.21 -175.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.745 -0.597 . . . . 0.0 111.241 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.481 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 31.5 tt0 65.88 -63.23 0.23 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.769 0.795 . . . . 0.0 109.083 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.466 ' OE1' ' CE1' ' B' ' 36' ' ' HIS . 15.8 pt-20 -82.86 -33.16 27.13 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 121.755 -0.591 . . . . 0.0 109.916 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -81.11 -43.12 19.9 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.282 -0.887 . . . . 0.0 111.458 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.54 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -78.06 -26.4 48.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.121 -0.987 . . . . 0.0 111.364 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 7.4 mm100 -64.99 -32.73 74.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.871 -1.143 . . . . 0.0 109.894 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 38.5 mm -52.11 -28.35 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.224 -0.923 . . . . 0.0 109.712 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.437 ' CZ ' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -54.63 -27.66 41.23 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.495 -0.753 . . . . 0.0 109.358 179.262 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.437 ' HA ' ' CZ ' ' B' ' 49' ' ' ARG . 13.9 t0 -77.83 -34.06 52.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.287 -0.883 . . . . 0.0 109.944 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -80.05 -40.05 28.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 110.051 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -44.1 94.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.236 -0.915 . . . . 0.0 110.092 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -66.72 -39.95 88.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.278 -0.889 . . . . 0.0 110.112 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.76 -41.96 82.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 110.15 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.41 -22.07 64.64 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.933 . . . . 0.0 110.109 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -56.47 -51.13 69.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.301 -0.874 . . . . 0.0 110.212 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -61.23 -35.32 76.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.925 . . . . 0.0 110.198 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -24.04 42.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.15 -0.968 . . . . 0.0 110.205 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -54.04 -31.69 52.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.252 -0.905 . . . . 0.0 110.172 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mt -80.06 -28.93 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.3 -0.875 . . . . 0.0 110.168 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.62 -21.6 64.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 0.0 110.282 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.67 -64.2 1.12 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.209 -0.932 . . . . 0.0 110.194 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.16 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.242 0.544 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -157.36 74.1 4.31 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.265 -0.897 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.8 Cg_endo -72.81 -49.99 0.23 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.692 1.364 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.7 -80.34 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.511 -0.743 . . . . 0.0 110.479 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' PRO . 5.7 p-10 -137.34 20.96 2.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -0.915 . . . . 0.0 110.264 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.481 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 2.3 t -78.93 -48.58 1.62 Allowed Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.17 -0.956 . . . . 0.0 109.966 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 13' ' ' VAL . 52.4 Cg_endo -84.47 -44.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.458 0 O-C-N 123.311 1.164 . . . . 0.0 109.662 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttp -64.16 127.63 32.28 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.546 -0.721 . . . . 0.0 110.525 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 52.45 42.27 31.14 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.267 -0.895 . . . . 0.0 110.458 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.1 ptm -56.83 -23.07 41.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.141 -0.974 . . . . 0.0 110.049 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 70.1 m -152.27 170.23 8.33 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.336 -0.853 . . . . 0.0 110.017 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 21' ' ' ALA . 50.3 Cg_endo -86.34 21.93 1.01 Allowed 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.661 1.348 . . . . 0.0 111.543 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.11 -66.33 0.17 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.082 -1.011 . . . . 0.0 110.85 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.73 -51.38 22.27 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.2 -0.937 . . . . 0.0 110.373 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.472 ' CD1' ' CD1' ' A' ' 26' ' ' ILE . 3.6 tp -68.8 -58.03 4.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.377 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.437 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 4.8 tt0 -46.39 -53.32 11.21 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.485 -0.76 . . . . 0.0 110.602 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -34.29 70.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.295 -0.878 . . . . 0.0 110.222 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -69.72 -52.1 28.51 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.239 -0.913 . . . . 0.0 110.136 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.472 ' CD1' ' CD1' ' A' ' 22' ' ' LEU . 43.5 mt -53.46 -55.91 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.265 -0.897 . . . . 0.0 110.238 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.87 -24.13 61.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.09 -50.01 15.88 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.296 -0.878 . . . . 0.0 110.251 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.68 -38.96 77.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.236 -0.915 . . . . 0.0 110.209 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.49 -50.36 73.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.246 -0.909 . . . . 0.0 110.234 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.8 -34.35 88.39 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.45 -26.57 60.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.282 -1.128 . . . . 0.0 110.21 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.418 ' HE2' ' CD2' ' B' ' 40' ' ' LEU . 6.6 tmm? -79.83 -27.2 40.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.26 -0.9 . . . . 0.0 110.308 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 mmt -78.3 -48.8 14.9 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.085 -1.009 . . . . 0.0 110.462 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.416 ' HG3' ' ND1' ' A' ' 36' ' ' HIS . 4.3 pt20 -51.66 -33.2 32.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.196 -0.94 . . . . 0.0 110.468 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.47 ' CD2' ' OE2' ' A' ' 44' ' ' GLU . 4.9 m-70 -76.65 -63.66 1.29 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.263 -0.898 . . . . 0.0 110.14 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.82 -36.41 11.8 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.265 -0.897 . . . . 0.0 109.982 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -70.71 -34.14 71.61 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.415 -0.803 . . . . 0.0 109.461 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -92.77 20.33 6.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.452 -0.78 . . . . 0.0 109.67 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.32 24.38 11.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.414 -0.804 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.437 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 2.1 mm-40 -70.0 -49.25 53.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.168 -0.958 . . . . 0.0 108.999 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.525 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 4.3 m-85 48.97 -177.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.562 -0.712 . . . . 0.0 111.109 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 28.0 tt0 66.04 -62.66 0.25 Allowed 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.724 0.773 . . . . 0.0 109.156 -178.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.47 ' OE2' ' CD2' ' A' ' 36' ' ' HIS . 24.9 pt-20 -82.43 -29.54 30.66 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.729 -0.607 . . . . 0.0 109.744 178.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -80.51 -47.52 14.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -0.851 . . . . 0.0 111.15 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.532 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -68.93 -19.85 64.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.156 -0.965 . . . . 0.0 110.784 -178.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -79.1 -50.94 10.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.981 -1.074 . . . . 0.0 109.68 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.6 mt -51.19 -30.97 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.167 -0.958 . . . . 0.0 109.31 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.426 ' NH2' ' HB2' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -55.81 -23.87 32.73 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.426 ' HB2' ' NH2' ' A' ' 49' ' ' ARG . 9.2 t0 -79.51 -35.39 40.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.312 -0.868 . . . . 0.0 109.815 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -69.25 -41.02 77.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.324 -0.86 . . . . 0.0 109.959 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -54.8 -37.69 66.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.271 -0.893 . . . . 0.0 109.995 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.08 -55.06 20.97 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.241 -0.912 . . . . 0.0 110.026 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 2.7 mt-30 -57.71 -40.97 80.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 0.0 110.029 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -28.84 55.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 0.0 110.081 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -58.36 -63.2 1.36 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.874 . . . . 0.0 110.027 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.5 pt-20 -57.33 -23.64 50.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.912 . . . . 0.0 110.084 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -63.45 -19.76 65.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 110.329 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.42 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 17.7 t80 -48.62 -36.41 15.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.239 -0.913 . . . . 0.0 110.553 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 58.4 mt -72.89 -36.86 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.97 . . . . 0.0 110.104 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.91 -20.37 61.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -0.906 . . . . 0.0 110.14 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.88 -61.18 1.54 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.218 -0.926 . . . . 0.0 110.226 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.198 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.228 0.537 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -157.26 74.09 4.36 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.216 -0.927 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' B' ' 12' ' ' ASN . 47.1 Cg_endo -72.69 -50.15 0.23 Allowed 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.685 1.361 . . . . 0.0 110.37 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.76 -80.36 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.438 -0.789 . . . . 0.0 110.464 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' B' ' 10' ' ' PRO . 5.7 p-10 -137.31 20.88 2.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 0.0 110.329 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.483 ' N ' ' CD ' ' B' ' 14' ' ' PRO . 2.3 t -78.88 -48.54 1.65 Allowed Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.256 -0.902 . . . . 0.0 110.045 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' B' ' 13' ' ' VAL . 52.3 Cg_endo -84.51 -44.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.308 1.162 . . . . 0.0 109.643 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttp -64.21 127.6 32.15 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.551 -0.718 . . . . 0.0 110.473 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 52.51 42.34 31.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.251 -0.906 . . . . 0.0 110.433 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 14.1 ptm -57.02 -22.96 42.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.269 -0.894 . . . . 0.0 110.022 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 70.2 m -152.2 170.26 8.28 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.313 -0.867 . . . . 0.0 109.968 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' B' ' 21' ' ' ALA . 50.2 Cg_endo -86.44 22.02 1.0 Allowed 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.682 1.359 . . . . 0.0 111.518 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.14 -66.33 0.17 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.156 -0.965 . . . . 0.0 110.847 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.67 -51.49 21.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.245 -0.909 . . . . 0.0 110.359 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.469 ' CD1' ' CD1' ' B' ' 26' ' ' ILE . 3.6 tp -68.78 -57.99 4.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.413 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 4.8 tt0 -46.42 -53.23 11.47 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.581 -0.7 . . . . 0.0 110.7 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -34.26 70.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.359 -0.838 . . . . 0.0 110.207 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -69.82 -51.99 28.91 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.269 -0.894 . . . . 0.0 110.148 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.469 ' CD1' ' CD1' ' B' ' 22' ' ' LEU . 43.4 mt -53.53 -55.9 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.213 -0.93 . . . . 0.0 110.239 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.83 -24.15 61.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.218 -0.926 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.17 -49.92 15.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.229 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 56.3 mt -69.73 -38.9 77.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.301 -0.874 . . . . 0.0 110.222 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.47 -50.44 73.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.225 -0.922 . . . . 0.0 110.216 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.22 88.02 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.56 -26.5 60.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.278 -1.13 . . . . 0.0 110.184 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 6.8 tmm? -79.69 -27.28 40.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 110.375 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 1.5 mmt -78.2 -48.96 14.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.183 -0.948 . . . . 0.0 110.418 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.419 ' HG3' ' ND1' ' B' ' 36' ' ' HIS . 4.3 pt20 -51.58 -33.26 31.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.17 -0.956 . . . . 0.0 110.445 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.472 ' CG ' ' OE2' ' B' ' 44' ' ' GLU . 4.9 m-70 -76.57 -63.71 1.28 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.215 -0.928 . . . . 0.0 110.151 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.78 -36.5 11.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.278 -0.889 . . . . 0.0 109.992 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -70.67 -34.12 71.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.442 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -92.86 20.42 6.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.459 -0.776 . . . . 0.0 109.641 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.418 ' CD2' ' HE2' ' A' ' 33' ' ' MET . 0.2 OUTLIER 58.28 24.39 11.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.392 -0.818 . . . . 0.0 110.93 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.43 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 2.1 mm-40 -70.04 -49.35 52.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.104 -0.998 . . . . 0.0 109.007 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.532 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 4.4 m-85 49.04 -177.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.607 -0.683 . . . . 0.0 111.089 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.495 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 28.0 tt0 66.08 -62.7 0.25 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.738 0.78 . . . . 0.0 109.151 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.472 ' OE2' ' CG ' ' B' ' 36' ' ' HIS . 24.9 pt-20 -82.4 -29.56 30.74 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.312 0.577 . . . . 0.0 109.743 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.47 -47.8 13.76 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.4 -0.813 . . . . 0.0 111.223 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.525 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -68.77 -19.88 64.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.071 -1.018 . . . . 0.0 110.784 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 43' ' ' GLU . 1.4 mp0 -78.87 -51.1 10.17 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.983 -1.073 . . . . 0.0 109.707 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.6 mt -51.04 -30.97 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.211 -0.931 . . . . 0.0 109.321 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.432 ' NH2' ' HB2' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -55.81 -23.86 32.7 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.432 ' HB2' ' NH2' ' B' ' 49' ' ' ARG . 9.2 t0 -79.43 -35.6 40.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.306 -0.871 . . . . 0.0 109.812 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -69.28 -40.96 77.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.281 -0.887 . . . . 0.0 109.922 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.416 ' CD1' HG21 ' B' ' 26' ' ' ILE . 1.0 OUTLIER -54.79 -37.65 66.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.294 -0.879 . . . . 0.0 109.978 179.795 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.23 -54.92 22.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.33 -0.856 . . . . 0.0 110.023 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' B' ' 57' ' ' GLU . 2.7 mt-30 -57.73 -41.09 81.12 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.268 -0.895 . . . . 0.0 110.002 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.02 -28.82 55.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.335 -0.853 . . . . 0.0 110.061 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -58.44 -63.08 1.4 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.27 -0.894 . . . . 0.0 110.046 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.5 pt-20 -57.5 -23.62 51.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.221 -0.924 . . . . 0.0 109.95 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 0.4 OUTLIER -63.45 -19.77 65.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.357 -0.84 . . . . 0.0 110.305 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' B' ' 59' ' ' PHE . 17.5 t80 -48.52 -36.45 15.31 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.197 -0.939 . . . . 0.0 110.568 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 58.8 mt -72.99 -36.81 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.303 -0.873 . . . . 0.0 110.031 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.82 -20.41 61.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.0 110.192 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.9 -61.21 1.53 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.178 -0.951 . . . . 0.0 110.202 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.185 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.207 0.527 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 17.8 tt0 53.01 54.34 12.91 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 0.0 110.236 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.8 Cg_endo -73.06 -52.73 0.14 Allowed 'Trans proline' 0 C--N 1.311 -1.403 0 O-C-N 123.724 1.381 . . . . 0.0 110.35 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.02 -81.78 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.436 -0.79 . . . . 0.0 110.377 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 10' ' ' PRO . 8.3 p30 -155.65 22.45 0.4 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.243 -0.911 . . . . 0.0 110.263 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.485 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 2.3 t -88.85 -48.22 0.42 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.261 -0.899 . . . . 0.0 110.184 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 13' ' ' VAL . 52.1 Cg_endo -84.82 -44.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.346 1.182 . . . . 0.0 109.726 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.73 84.19 4.07 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.504 -0.748 . . . . 0.0 110.367 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -174.86 77.4 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.309 -0.869 . . . . 0.0 110.092 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 ptp -123.65 -18.99 5.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.314 -0.866 . . . . 0.0 110.729 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.414 ' CB ' ' OE1' ' A' ' 23' ' ' GLN . 0.7 OUTLIER 57.19 168.43 0.06 OUTLIER Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.071 -1.018 . . . . 0.0 109.988 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' ALA . 43.8 Cg_endo -70.37 -7.93 22.4 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 O-C-N 123.582 1.306 . . . . 0.0 111.338 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? 63.59 -70.48 0.07 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.471 -0.768 . . . . 0.0 110.863 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -53.38 -60.38 3.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.866 -1.146 . . . . 0.0 109.771 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 59' ' ' PHE . 4.0 tp -55.33 -61.16 2.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.416 -0.803 . . . . 0.0 109.215 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.414 ' OE1' ' CB ' ' A' ' 18' ' ' SER . 29.5 tt0 -49.05 -42.96 40.25 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.373 -0.83 . . . . 0.0 110.307 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -67.03 -32.89 74.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.918 . . . . 0.0 109.981 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -72.6 -48.51 39.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.323 -0.86 . . . . 0.0 110.068 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.426 ' CD1' ' CD1' ' A' ' 22' ' ' LEU . 80.0 mt -54.16 -54.45 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.207 -0.933 . . . . 0.0 109.952 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -23.8 65.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 110.033 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -79.95 -49.91 11.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.242 -0.911 . . . . 0.0 110.221 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mp -61.01 -44.68 97.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.148 -0.97 . . . . 0.0 110.123 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.8 -46.49 74.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.253 -0.904 . . . . 0.0 110.088 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.32 -30.57 73.55 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.37 -25.77 65.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.289 -1.124 . . . . 0.0 110.111 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.433 ' CE ' HD21 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -63.52 -60.5 3.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.872 . . . . 0.0 110.085 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.7 tpp -60.91 -30.99 70.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.327 -0.858 . . . . 0.0 110.173 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -76.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.331 -0.856 . . . . 0.0 110.391 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.475 ' CE1' ' OE1' ' A' ' 44' ' ' GLU . 10.6 m170 -54.87 -46.23 74.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.197 -0.94 . . . . 0.0 110.11 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.95 -41.25 61.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.194 -0.941 . . . . 0.0 109.881 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -36.17 71.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 109.38 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -91.55 18.55 7.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 0.0 109.682 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.412 HD21 ' CE ' ' B' ' 33' ' ' MET . 6.8 mp 55.27 24.27 6.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.44 -0.788 . . . . 0.0 110.772 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.72 -44.59 77.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.924 . . . . 0.0 109.118 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.523 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 9.6 m-85 49.52 -178.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.572 -0.705 . . . . 0.0 111.077 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.492 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 29.3 tt0 66.25 -62.58 0.26 Allowed 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 121.693 0.759 . . . . 0.0 109.047 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 14.7 pt-20 -82.55 -31.01 29.31 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-O 121.325 0.584 . . . . 0.0 109.751 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -80.7 -44.98 17.87 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.292 -0.88 . . . . 0.0 111.166 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.518 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -77.22 -19.63 56.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.176 -0.953 . . . . 0.0 111.113 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 8.3 mm100 -70.56 -36.62 73.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.956 -1.09 . . . . 0.0 110.001 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.0 mt -51.3 -28.67 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.268 -0.895 . . . . 0.0 109.899 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -53.64 -24.35 13.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.423 -0.798 . . . . 0.0 109.33 179.277 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . 13.3 t0 -78.89 -32.53 45.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.329 -0.857 . . . . 0.0 109.802 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -80.13 -46.7 15.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.301 -0.875 . . . . 0.0 109.977 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -37.17 77.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.29 -0.881 . . . . 0.0 110.063 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.1 -51.67 67.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.887 . . . . 0.0 110.09 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -37.19 64.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -0.848 . . . . 0.0 110.102 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.86 -34.64 78.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 0.0 110.131 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -53.59 -56.8 14.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.322 -0.861 . . . . 0.0 110.062 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.48 -39.04 82.43 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.265 -0.897 . . . . 0.0 109.886 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -22.82 7.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 0.0 110.176 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.429 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 29.1 t80 -52.21 -54.19 34.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.246 -0.908 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.2 -38.61 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.196 -0.94 . . . . 0.0 110.173 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.76 -22.82 26.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.23 -0.919 . . . . 0.0 110.186 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.73 -72.57 0.66 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.229 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.275 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.254 0.549 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' B' ' 10' ' ' PRO . 17.8 tt0 53.13 54.24 12.62 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.153 -0.967 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.7 Cg_endo -73.02 -52.66 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.725 1.382 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.95 -81.75 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.368 -0.833 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 10' ' ' PRO . 8.2 p30 -155.62 22.35 0.4 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.485 ' N ' ' CD ' ' B' ' 14' ' ' PRO . 2.3 t -88.85 -48.14 0.42 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.169 -0.957 . . . . 0.0 110.139 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' B' ' 13' ' ' VAL . 52.1 Cg_endo -84.87 -44.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.298 0 O-C-N 123.271 1.143 . . . . 0.0 109.748 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.72 84.15 4.07 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.531 -0.731 . . . . 0.0 110.379 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -174.82 77.5 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.212 -0.93 . . . . 0.0 110.036 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptp -123.62 -19.06 5.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.406 -0.808 . . . . 0.0 110.786 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.418 ' CB ' ' OE1' ' B' ' 23' ' ' GLN . 0.7 OUTLIER 57.17 168.38 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.096 -1.002 . . . . 0.0 109.976 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 21' ' ' ALA . 44.0 Cg_endo -70.3 -8.02 22.61 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 O-C-N 123.545 1.287 . . . . 0.0 111.264 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? 63.6 -70.52 0.07 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.47 -0.769 . . . . 0.0 110.797 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -53.26 -60.47 3.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.923 -1.111 . . . . 0.0 109.794 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.431 ' CD1' ' CD1' ' B' ' 26' ' ' ILE . 4.0 tp -55.36 -61.16 2.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.342 -0.849 . . . . 0.0 109.163 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.418 ' OE1' ' CB ' ' B' ' 18' ' ' SER . 29.6 tt0 -49.04 -42.88 39.87 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.459 -0.775 . . . . 0.0 110.321 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -67.04 -32.98 74.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.268 -0.895 . . . . 0.0 109.844 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -72.67 -48.38 39.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.327 -0.858 . . . . 0.0 110.085 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.431 ' CD1' ' CD1' ' B' ' 22' ' ' LEU . 80.1 mt -54.34 -54.33 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 0.0 109.908 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -23.7 65.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.281 -0.887 . . . . 0.0 110.007 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.04 -49.88 11.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.317 -0.864 . . . . 0.0 110.159 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mp -61.02 -44.65 97.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.92 . . . . 0.0 110.116 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.87 -46.46 74.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.293 -0.879 . . . . 0.0 110.081 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.32 -30.51 73.52 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.51 -25.69 65.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -1.12 . . . . 0.0 110.108 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' MET . . . . . 0.412 ' CE ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -63.44 -60.6 3.15 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.289 -0.882 . . . . 0.0 110.088 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 37.5 tpp -60.84 -31.03 70.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 0.0 110.143 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -76.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.268 -0.895 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.465 ' CE1' ' OE1' ' B' ' 44' ' ' GLU . 10.6 m170 -54.8 -46.35 74.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.09 -1.006 . . . . 0.0 110.06 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.86 -41.28 61.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.148 -0.97 . . . . 0.0 109.841 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -36.17 71.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.324 -0.86 . . . . 0.0 109.372 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -91.6 18.58 7.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.433 HD21 ' CE ' ' A' ' 33' ' ' MET . 6.8 mp 55.26 24.39 6.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.459 -0.776 . . . . 0.0 110.682 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.73 -44.72 76.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.307 -0.871 . . . . 0.0 109.039 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.518 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 9.6 m-85 49.47 -178.03 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.588 -0.695 . . . . 0.0 111.026 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 29.3 tt0 66.13 -62.48 0.26 Allowed 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.7 0.762 . . . . 0.0 109.091 -178.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.465 ' OE1' ' CE1' ' B' ' 36' ' ' HIS . 14.7 pt-20 -82.55 -30.98 29.32 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.368 0.604 . . . . 0.0 109.78 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.71 -45.04 17.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 0.0 111.184 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.523 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -77.23 -19.58 56.44 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.186 -0.946 . . . . 0.0 111.076 -178.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 8.3 mm100 -70.55 -36.7 73.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.86 -1.15 . . . . 0.0 110.042 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.9 mt -51.24 -28.69 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.211 -0.931 . . . . 0.0 109.881 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.43 ' CZ ' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -53.76 -24.22 14.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.427 -0.796 . . . . 0.0 109.293 179.319 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.43 ' HA ' ' CZ ' ' B' ' 49' ' ' ARG . 13.3 t0 -78.84 -32.55 46.18 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.338 -0.851 . . . . 0.0 109.943 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -80.16 -46.71 15.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.302 -0.874 . . . . 0.0 109.964 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -37.18 77.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.236 -0.915 . . . . 0.0 110.063 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -56.08 -51.62 67.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.31 -0.869 . . . . 0.0 110.066 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.13 -37.11 64.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.881 . . . . 0.0 110.075 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.86 -34.73 79.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.902 . . . . 0.0 110.1 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 ttt85 -53.56 -56.68 15.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.925 . . . . 0.0 110.129 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.62 -38.85 82.44 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.248 -0.908 . . . . 0.0 109.941 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -22.82 7.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -0.882 . . . . 0.0 110.204 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . 0.423 ' HA ' ' CD2' ' B' ' 22' ' ' LEU . 28.6 t80 -52.2 -54.28 32.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.07 -38.67 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.325 -0.859 . . . . 0.0 110.213 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.73 -22.77 25.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.273 -0.892 . . . . 0.0 110.227 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.78 -72.55 0.66 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.305 -0.872 . . . . 0.0 110.194 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.2 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.215 0.531 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -152.42 78.1 6.45 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.246 -0.909 . . . . 0.0 110.155 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.5 Cg_endo -73.29 -54.13 0.12 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.797 1.419 . . . . 0.0 110.524 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.48 -76.69 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.327 -0.858 . . . . 0.0 110.517 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -170.69 42.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.17 -0.956 . . . . 0.0 110.075 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.471 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -62.28 -55.64 38.2 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.255 -0.903 . . . . 0.0 109.957 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.471 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 48.1 Cg_endo -76.12 -89.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.357 0 O-C-N 123.319 1.168 . . . . 0.0 109.761 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.28 128.26 0.07 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.982 -1.073 . . . . 0.0 109.98 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 55.03 63.4 2.14 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.27 -0.894 . . . . 0.0 110.02 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' SER . 5.4 ptt? -50.75 -36.94 39.13 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.345 -0.847 . . . . 0.0 110.643 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 9.0 m -147.82 161.86 33.56 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.164 -0.96 . . . . 0.0 110.473 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' A' ' 22' ' ' LEU . 56.1 Cg_endo -85.36 31.38 0.49 Allowed 'Trans proline' 0 C--N 1.312 -1.358 0 O-C-N 123.737 1.388 . . . . 0.0 111.662 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 67.25 -65.62 0.22 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.954 -1.091 . . . . 0.0 110.118 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -49.39 -49.29 45.29 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.12 -0.987 . . . . 0.0 109.669 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.438 ' CB ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -66.33 -56.21 12.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.429 -0.794 . . . . 0.0 108.872 178.685 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.437 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 3.7 tp60 -47.76 -51.94 20.47 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.3 0.571 . . . . 0.0 110.486 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -35.32 80.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.908 . . . . 0.0 110.213 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -66.39 -43.72 85.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.285 -0.885 . . . . 0.0 110.239 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.426 HD13 ' CD1' ' A' ' 22' ' ' LEU . 97.5 mt -69.02 -53.8 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.213 -0.929 . . . . 0.0 110.168 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -58.57 -23.04 57.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 110.16 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -65.82 0.64 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 0.0 110.156 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' CB ' HD23 ' A' ' 52' ' ' LEU . 1.5 mp -65.74 -37.35 86.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 110.15 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -46.65 89.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.183 -0.948 . . . . 0.0 109.92 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.32 -31.69 62.95 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.42 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 33.7 tp -75.8 -31.65 59.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -1.124 . . . . 0.0 109.964 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.482 ' HE3' ' CE1' ' B' ' 42' ' ' PHE . 5.2 tmm? -80.18 -26.95 39.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.412 -0.805 . . . . 0.0 110.214 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.19 -44.77 19.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.261 -0.899 . . . . 0.0 110.767 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 36' ' ' HIS . 5.0 pt20 -54.33 -36.31 63.64 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.22 -0.925 . . . . 0.0 110.643 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.428 ' ND1' ' HB1' ' A' ' 45' ' ' ALA . 40.1 m80 -80.19 -49.16 12.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.99 . . . . 0.0 110.237 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' N ' ' HB3' ' A' ' 42' ' ' PHE . . . -50.59 -34.98 27.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.218 -0.926 . . . . 0.0 110.116 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -71.55 -38.66 70.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 109.926 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -92.31 20.07 6.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.248 -0.908 . . . . 0.0 110.105 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 53.78 24.17 4.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 110.448 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -108.02 14.77 24.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.303 -0.873 . . . . 0.0 110.089 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.57 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -76.75 27.49 0.13 Allowed 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.082 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -56.23 -69.64 0.14 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.281 -1.512 . . . . 0.0 107.369 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 2.7 pt-20 -82.3 -20.06 38.18 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.639 -0.663 . . . . 0.0 109.43 177.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 42' ' ' PHE . . . -72.45 -48.38 41.45 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.202 -0.937 . . . . 0.0 110.982 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.474 ' HB3' ' CE2' ' B' ' 42' ' ' PHE . . . -53.01 -34.02 54.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.107 -0.995 . . . . 0.0 110.462 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -28.85 37.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.203 -0.935 . . . . 0.0 110.054 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.3 mm -52.36 -30.09 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.146 -0.971 . . . . 0.0 109.323 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -53.97 -26.45 25.88 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.701 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.423 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 3.6 t0 -68.63 -36.14 78.22 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.511 -0.743 . . . . 0.0 109.392 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.422 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 20.3 mt-30 -78.91 -35.81 42.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.352 -0.842 . . . . 0.0 109.828 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.419 HD23 ' CB ' ' A' ' 29' ' ' LEU . 1.1 mm? -57.66 -26.0 61.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.406 -0.809 . . . . 0.0 110.144 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.45 -45.54 30.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 0.0 110.268 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.41 -39.89 95.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.274 -0.891 . . . . 0.0 110.241 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.422 ' CD1' ' O ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -56.2 -29.08 60.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.185 -0.947 . . . . 0.0 110.167 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.45 -45.49 73.11 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 0.0 110.115 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.42 -61.7 2.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.268 -0.895 . . . . 0.0 110.188 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mt -45.58 -25.67 0.49 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 0.0 111.344 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -48.96 -47.85 43.58 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.991 -1.068 . . . . 0.0 110.642 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.9 mt -63.54 -41.78 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.3 -0.875 . . . . 0.0 110.15 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.64 -20.58 34.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.311 -0.868 . . . . 0.0 110.169 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.32 -64.59 1.07 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.183 -0.948 . . . . 0.0 110.203 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.233 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.232 0.539 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -152.38 77.99 6.51 Favored Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.309 -0.869 . . . . 0.0 110.211 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' B' ' 12' ' ' ASN . 45.7 Cg_endo -73.17 -54.21 0.12 Allowed 'Trans proline' 0 C--N 1.311 -1.403 0 O-C-N 123.722 1.38 . . . . 0.0 110.53 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.59 -76.74 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.37 -0.831 . . . . 0.0 110.507 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 10' ' ' PRO . 0.3 OUTLIER -170.75 42.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.151 -0.968 . . . . 0.0 110.065 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.473 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -62.29 -55.64 38.16 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.191 -0.943 . . . . 0.0 109.911 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.473 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 47.5 Cg_endo -76.18 -89.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.367 1.193 . . . . 0.0 109.728 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.24 128.2 0.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.885 -1.134 . . . . 0.0 110.027 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 55.08 63.44 2.12 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.134 -0.979 . . . . 0.0 109.988 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' B' ' 18' ' ' SER . 5.4 ptt? -50.77 -36.94 39.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.318 -0.863 . . . . 0.0 110.646 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.443 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 9.3 m -147.8 161.9 33.45 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.06 -1.025 . . . . 0.0 110.458 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' B' ' 22' ' ' LEU . 56.5 Cg_endo -85.29 31.19 0.49 Allowed 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.68 1.358 . . . . 0.0 111.741 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 67.3 -65.65 0.22 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.951 -1.093 . . . . 0.0 110.129 -179.673 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -49.35 -49.36 44.66 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.112 -0.993 . . . . 0.0 109.664 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.445 ' CB ' ' HD2' ' B' ' 19' ' ' PRO . 0.1 OUTLIER -66.37 -56.11 12.63 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.677 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.443 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 3.7 tp60 -47.83 -51.85 21.21 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.264 0.554 . . . . 0.0 110.505 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -35.29 80.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.31 -0.869 . . . . 0.0 110.213 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -66.4 -43.76 84.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.265 -0.897 . . . . 0.0 110.222 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.431 HD13 ' CD1' ' B' ' 22' ' ' LEU . 97.5 mt -68.95 -53.95 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.923 . . . . 0.0 110.114 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -58.54 -23.05 57.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.275 -0.891 . . . . 0.0 110.151 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -65.83 0.63 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.861 . . . . 0.0 110.207 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.42 ' CB ' HD23 ' B' ' 52' ' ' LEU . 1.5 mp -65.75 -37.37 86.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.933 . . . . 0.0 110.103 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.72 -46.61 89.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.91 . . . . 0.0 109.932 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.35 -31.64 62.99 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.412 ' HA ' ' NE2' ' B' ' 35' ' ' GLN . 33.8 tp -75.85 -31.54 59.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -1.131 . . . . 0.0 110.026 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' MET . . . . . 0.481 ' HE3' ' CE1' ' A' ' 42' ' ' PHE . 5.2 tmm? -80.25 -26.89 38.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.356 -0.84 . . . . 0.0 110.221 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -44.8 19.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.374 -0.829 . . . . 0.0 110.69 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' B' ' 36' ' ' HIS . 5.0 pt20 -54.44 -36.28 63.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.157 -0.964 . . . . 0.0 110.564 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.436 ' N ' ' HG3' ' B' ' 35' ' ' GLN . 40.6 m80 -80.13 -49.15 12.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.1 -1.0 . . . . 0.0 110.349 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.467 ' N ' ' HB3' ' B' ' 42' ' ' PHE . . . -50.56 -35.08 28.1 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.245 -0.909 . . . . 0.0 110.047 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -71.45 -38.69 71.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.306 -0.871 . . . . 0.0 110.027 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -92.33 20.07 6.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 0.0 110.097 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 53.8 24.23 4.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.215 -0.928 . . . . 0.0 110.346 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -108.11 14.7 24.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.345 -0.847 . . . . 0.0 110.091 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.573 ' HA ' ' CB ' ' B' ' 45' ' ' ALA . 0.0 OUTLIER -76.56 27.29 0.13 Allowed 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -179.146 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -56.1 -69.64 0.14 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.299 -1.501 . . . . 0.0 107.441 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 2.7 pt-20 -82.29 -20.02 38.33 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.664 -0.647 . . . . 0.0 109.482 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.573 ' CB ' ' HA ' ' B' ' 42' ' ' PHE . . . -72.55 -48.42 40.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.209 -0.932 . . . . 0.0 110.947 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.488 ' HB1' ' CE2' ' A' ' 42' ' ' PHE . . . -52.89 -34.07 53.15 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.082 -1.011 . . . . 0.0 110.477 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -28.75 37.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.214 -0.929 . . . . 0.0 110.087 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 34.5 mm -52.42 -29.98 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.132 -0.98 . . . . 0.0 109.348 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.409 ' NH1' ' HA ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -54.01 -26.49 26.55 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.409 ' HA ' ' NH1' ' B' ' 49' ' ' ARG . 3.6 t0 -68.66 -36.19 78.23 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.44 -0.788 . . . . 0.0 109.326 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.408 ' O ' ' CD1' ' B' ' 55' ' ' LEU . 20.2 mt-30 -78.94 -35.79 42.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.325 -0.859 . . . . 0.0 109.795 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.421 ' CD1' HG22 ' B' ' 26' ' ' ILE . 1.1 mm? -57.64 -26.03 61.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.372 -0.83 . . . . 0.0 110.193 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.36 -45.63 31.09 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.295 -0.878 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.24 -40.03 96.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.408 ' CD1' ' O ' ' B' ' 51' ' ' GLN . 0.4 OUTLIER -56.16 -29.15 60.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.903 . . . . 0.0 110.19 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.32 -45.6 72.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.236 -0.915 . . . . 0.0 110.137 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.44 -61.63 2.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.283 -0.886 . . . . 0.0 110.174 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mt -45.63 -25.59 0.49 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.568 -0.707 . . . . 0.0 111.32 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -48.99 -47.98 43.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.962 -1.087 . . . . 0.0 110.584 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 16.9 mt -63.38 -41.86 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.171 -0.956 . . . . 0.0 110.16 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.69 -20.49 34.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.203 -0.936 . . . . 0.0 110.181 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.36 -64.53 1.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.188 -0.945 . . . . 0.0 110.19 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.213 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.321 0.581 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 53.13 86.15 0.17 Allowed Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.155 -0.966 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.7 Cg_endo -72.8 -45.75 0.48 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 O-C-N 123.658 1.346 . . . . 0.0 110.364 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.67 -79.47 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.395 -0.815 . . . . 0.0 110.388 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' PRO . 2.6 p-10 -153.54 22.87 0.53 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.21 -0.931 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.458 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -67.48 -57.63 10.02 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.23 -0.919 . . . . 0.0 109.728 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.458 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 51.1 Cg_endo -76.01 -49.17 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.437 1.23 . . . . 0.0 109.247 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 tpp -175.17 174.17 2.47 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.609 -0.682 . . . . 0.0 110.04 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -168.24 73.21 0.1 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.206 -0.934 . . . . 0.0 110.349 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 18' ' ' SER . 5.1 ptp -52.51 -38.7 60.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 0.0 110.194 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.432 ' HB3' ' N ' ' A' ' 23' ' ' GLN . 73.8 m -105.98 141.29 22.41 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.294 -0.879 . . . . 0.0 110.007 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 21' ' ' ALA . 49.1 Cg_endo -70.98 55.95 1.85 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.616 1.324 . . . . 0.0 111.57 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' CD ' ' C ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 56.42 -74.31 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.567 -0.708 . . . . 0.0 111.252 178.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -48.16 -47.16 35.15 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.977 -1.077 . . . . 0.0 109.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' CB ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -66.3 -50.69 62.8 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.369 -0.832 . . . . 0.0 109.173 178.771 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.432 ' N ' ' HB3' ' A' ' 18' ' ' SER . 6.3 tt0 -51.46 -56.78 11.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.721 -0.612 . . . . 0.0 110.361 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -43.92 97.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.323 -0.861 . . . . 0.0 110.311 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -52.91 -50.54 63.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.227 -0.921 . . . . 0.0 110.361 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.7 mt -66.64 -58.26 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 0.0 110.294 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -55.14 -21.29 12.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 110.358 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.64 -44.81 26.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 0.0 110.302 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' CD1' HD12 ' A' ' 55' ' ' LEU . 13.9 mt -75.14 -40.82 59.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.226 -0.921 . . . . 0.0 110.348 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -41.23 79.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.216 -0.928 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.83 -27.31 73.98 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 tp -80.0 -27.66 39.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.204 -1.174 . . . . 0.0 110.237 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.422 ' HE3' ' CD2' ' B' ' 40' ' ' LEU . 4.7 tmm? -73.51 -56.95 4.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.955 . . . . 0.0 110.292 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.48 -37.11 64.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -0.881 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -73.9 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.23 -0.919 . . . . 0.0 110.318 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.468 ' CD2' ' OE2' ' A' ' 44' ' ' GLU . 28.6 m170 -47.11 -54.16 11.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.315 -0.866 . . . . 0.0 110.878 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.79 48.75 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.08 -1.013 . . . . 0.0 109.719 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -68.27 -31.8 71.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.397 -0.814 . . . . 0.0 109.237 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -90.46 15.17 11.2 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.524 -0.735 . . . . 0.0 109.836 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.78 27.96 17.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.324 -0.86 . . . . 0.0 111.092 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 3.6 mm-40 -77.63 -45.87 23.79 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.022 . . . . 0.0 109.104 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.531 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 3.5 m-85 49.47 -178.41 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.585 -0.697 . . . . 0.0 111.094 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 45.8 tt0 66.12 -62.68 0.25 Allowed 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 121.767 0.794 . . . . 0.0 109.113 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' OE2' ' CD2' ' A' ' 36' ' ' HIS . 16.8 pt-20 -82.15 -30.4 31.06 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-O 121.377 0.608 . . . . 0.0 109.553 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.441 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -80.58 -48.39 12.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.327 -0.858 . . . . 0.0 110.893 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.528 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -69.13 -19.83 64.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -0.952 . . . . 0.0 110.429 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.72 -50.18 12.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.098 -1.001 . . . . 0.0 109.67 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.4 mt -51.61 -32.4 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.206 -0.934 . . . . 0.0 109.566 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' NH2' ' HB2' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -54.22 -24.8 19.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.506 -0.746 . . . . 0.0 109.214 178.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.416 ' HB2' ' NH2' ' A' ' 49' ' ' ARG . 12.2 t0 -80.07 -29.7 39.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.34 -0.85 . . . . 0.0 109.852 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.11 -40.45 68.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.326 -0.859 . . . . 0.0 110.069 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -53.18 -30.62 38.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.201 -0.937 . . . . 0.0 110.093 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -37.81 33.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -0.906 . . . . 0.0 109.996 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.73 -39.31 84.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.299 -0.875 . . . . 0.0 110.111 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 ' CD1' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.17 -21.18 59.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.33 -0.856 . . . . 0.0 110.225 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ttt85 -52.83 -51.89 59.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.221 -0.925 . . . . 0.0 110.213 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.34 -44.26 79.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 0.0 110.031 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -22.74 8.29 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.31 -0.869 . . . . 0.0 110.164 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -52.64 -38.96 61.25 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.243 -0.91 . . . . 0.0 110.251 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.4 mt -71.85 -36.16 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.214 -0.929 . . . . 0.0 110.188 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.39 -21.92 66.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.217 -0.927 . . . . 0.0 110.159 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.05 -66.33 0.91 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.249 -0.907 . . . . 0.0 110.234 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.6 p . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.201 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.281 0.562 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 53.15 86.26 0.17 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.312 -0.868 . . . . 0.0 110.157 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' B' ' 12' ' ' ASN . 45.9 Cg_endo -72.82 -45.7 0.48 Allowed 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.725 1.381 . . . . 0.0 110.419 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.54 -79.46 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.468 -0.77 . . . . 0.0 110.448 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 10' ' ' PRO . 2.6 p-10 -153.52 22.88 0.53 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.454 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -67.44 -57.66 10.03 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.189 -0.944 . . . . 0.0 109.685 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.454 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 51.2 Cg_endo -76.02 -49.3 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 O-C-N 123.442 1.233 . . . . 0.0 109.196 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.9 tpp -175.09 174.23 2.49 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.605 -0.684 . . . . 0.0 110.02 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -168.19 73.17 0.11 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.17 -0.956 . . . . 0.0 110.347 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' B' ' 18' ' ' SER . 5.1 ptp -52.48 -38.75 60.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.289 -0.882 . . . . 0.0 110.199 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.432 ' HB3' ' N ' ' B' ' 23' ' ' GLN . 74.0 m -105.94 141.21 22.22 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.223 -0.923 . . . . 0.0 110.091 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' B' ' 21' ' ' ALA . 50.8 Cg_endo -70.84 56.01 1.8 Allowed 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.585 1.308 . . . . 0.0 111.614 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.417 ' CD ' ' C ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 56.33 -74.3 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.406 0 O-C-N 121.564 -0.71 . . . . 0.0 111.322 178.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -48.24 -47.11 36.11 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.962 -1.086 . . . . 0.0 109.892 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.465 ' CB ' ' HD2' ' B' ' 19' ' ' PRO . 0.1 OUTLIER -66.28 -50.73 62.68 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.44 -0.787 . . . . 0.0 109.168 178.786 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.432 ' N ' ' HB3' ' B' ' 18' ' ' SER . 6.3 tt0 -51.46 -56.77 11.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.694 -0.629 . . . . 0.0 110.323 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -43.91 97.99 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 0.0 110.335 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -52.83 -50.63 63.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 0.0 110.37 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 90.7 mt -66.57 -58.28 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.252 -0.905 . . . . 0.0 110.338 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -55.16 -21.33 13.05 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.221 -0.924 . . . . 0.0 110.302 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.56 -44.89 27.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.941 . . . . 0.0 110.317 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.424 ' CD1' HD12 ' B' ' 55' ' ' LEU . 13.8 mt -75.05 -41.01 59.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.212 -0.93 . . . . 0.0 110.262 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -41.18 79.43 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.302 -0.874 . . . . 0.0 110.234 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.87 -27.25 74.04 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 tp -80.09 -27.62 39.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.271 -1.135 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 4.7 tmm? -73.46 -56.9 4.43 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.934 . . . . 0.0 110.297 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.59 -37.12 65.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.164 -0.96 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.62 -73.87 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.313 -0.867 . . . . 0.0 110.325 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.467 ' CD2' ' OE2' ' B' ' 44' ' ' GLU . 28.9 m170 -47.06 -54.21 10.88 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.41 -0.806 . . . . 0.0 110.889 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.81 -43.79 48.83 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.102 -0.999 . . . . 0.0 109.66 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -68.23 -31.81 71.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.361 -0.837 . . . . 0.0 109.291 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -90.56 15.31 11.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.447 -0.783 . . . . 0.0 109.806 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.422 ' CD2' ' HE3' ' A' ' 33' ' ' MET . 0.2 OUTLIER 59.79 27.9 17.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.315 -0.866 . . . . 0.0 111.1 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.43 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 3.6 mm-40 -77.55 -45.99 23.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.072 -1.018 . . . . 0.0 109.136 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.528 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 3.5 m-85 49.58 -178.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.597 -0.689 . . . . 0.0 111.085 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 45.9 tt0 66.04 -62.55 0.25 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.78 0.8 . . . . 0.0 109.128 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.467 ' OE2' ' CD2' ' B' ' 36' ' ' HIS . 16.8 pt-20 -82.16 -30.4 31.03 Favored 'General case' 0 C--N 1.29 -1.978 0 CA-C-O 121.366 0.603 . . . . 0.0 109.559 178.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.57 -48.47 12.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.911 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.531 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -69.14 -19.82 64.03 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.909 . . . . 0.0 110.412 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.64 -50.24 12.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.135 -0.978 . . . . 0.0 109.713 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 69.5 mt -51.54 -32.47 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.256 -0.902 . . . . 0.0 109.459 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.426 ' NH2' ' HB2' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -54.28 -24.67 19.81 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.49 -0.756 . . . . 0.0 109.141 179.065 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.426 ' HB2' ' NH2' ' B' ' 49' ' ' ARG . 12.3 t0 -80.24 -29.58 38.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 0.0 109.808 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.21 -40.4 67.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.308 -0.87 . . . . 0.0 110.034 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -53.24 -30.56 38.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 0.0 110.085 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -37.73 33.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.338 -0.851 . . . . 0.0 110.097 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -67.79 -39.24 84.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.883 . . . . 0.0 110.12 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.424 HD12 ' CD1' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -59.18 -21.23 59.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.909 . . . . 0.0 110.192 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ttt85 -52.82 -51.94 58.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.206 -0.934 . . . . 0.0 110.258 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.29 -44.18 79.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 110.111 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -22.88 7.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.367 -0.833 . . . . 0.0 110.205 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -52.63 -38.96 61.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.279 -0.888 . . . . 0.0 110.228 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 29.3 mt -71.81 -36.21 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.254 -0.904 . . . . 0.0 110.138 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.37 -21.83 66.51 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.317 -0.865 . . . . 0.0 110.177 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.13 -66.45 0.91 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.182 -0.948 . . . . 0.0 110.179 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.229 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.238 0.542 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -159.23 75.66 3.23 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.266 -0.896 . . . . 0.0 110.177 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 12' ' ' ASN . 44.4 Cg_endo -73.81 -57.5 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.657 1.346 . . . . 0.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.32 -83.02 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.485 -0.759 . . . . 0.0 110.436 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' PRO . 3.5 p-10 -149.23 34.57 0.73 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.193 -0.942 . . . . 0.0 110.095 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.614 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 7.3 p -81.66 -24.94 0.39 Allowed Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.257 -0.902 . . . . 0.0 112.899 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 13' ' ' VAL . 49.7 Cg_endo -79.63 -58.83 0.03 OUTLIER 'Trans proline' 0 N--CA 1.481 0.749 0 N-CA-C 110.193 -0.733 . . . . 0.0 110.193 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.6 mtt 50.6 -169.92 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.275 -0.891 . . . . 0.0 110.512 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -158.46 43.53 0.28 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.263 -0.898 . . . . 0.0 110.057 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.8 ptm -53.55 -28.67 32.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.26 -0.9 . . . . 0.0 110.297 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.404 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 1.3 m -65.78 148.8 98.04 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.238 -0.913 . . . . 0.0 110.241 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 21' ' ' ALA . 49.4 Cg_endo -86.3 30.51 0.48 Allowed 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.633 1.333 . . . . 0.0 111.654 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? 63.83 -68.83 0.09 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.194 -0.941 . . . . 0.0 111.504 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.97 -48.3 21.62 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.094 -1.004 . . . . 0.0 110.984 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.484 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 10.2 mp -80.75 -37.76 29.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.294 -0.879 . . . . 0.0 109.38 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.404 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 1.5 tt0 -50.35 -53.29 30.06 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.783 -0.573 . . . . 0.0 110.524 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -66.8 -41.65 87.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.161 -0.962 . . . . 0.0 110.393 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -62.17 -38.3 88.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 110.436 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.3 mt -80.06 -43.76 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.22 -0.925 . . . . 0.0 110.47 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -65.63 -31.52 72.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.241 -0.912 . . . . 0.0 110.535 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -80.11 -37.89 32.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.156 -0.965 . . . . 0.0 110.445 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.5 mt -73.13 -34.09 65.91 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.167 -0.958 . . . . 0.0 110.441 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.04 -50.22 74.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.0 110.452 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.37 -29.08 73.0 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.49 -30.4 71.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.153 -1.204 . . . . 0.0 110.392 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mtp -62.6 -58.23 8.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 0.0 110.418 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 ttm -57.92 -43.29 86.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.277 -0.89 . . . . 0.0 110.473 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -75.7 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.236 -0.915 . . . . 0.0 110.559 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 15.6 m-70 -50.83 -54.65 21.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.207 -0.933 . . . . 0.0 110.569 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.02 -41.17 24.91 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.178 -0.951 . . . . 0.0 110.177 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -61.94 -33.53 74.44 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.276 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -91.77 18.52 7.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.43 -0.794 . . . . 0.0 109.606 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mp 55.83 23.52 6.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.416 -0.803 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.29 -47.52 70.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.164 -0.96 . . . . 0.0 108.95 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.535 ' CD1' ' CB ' ' B' ' 46' ' ' ALA . 3.9 m-85 48.29 -176.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.682 -0.636 . . . . 0.0 111.247 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 26.4 tt0 65.6 -63.62 0.21 Allowed 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 121.75 0.786 . . . . 0.0 109.151 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' PHE . 14.2 pt-20 -82.63 -29.8 29.86 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-O 121.406 0.622 . . . . 0.0 109.839 178.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 36' ' ' HIS . . . -80.76 -47.11 14.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.334 -0.854 . . . . 0.0 111.288 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.532 ' CB ' ' CD1' ' B' ' 42' ' ' PHE . . . -73.3 -37.76 66.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.15 -0.969 . . . . 0.0 110.779 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 8.2 mm-40 -52.96 -23.11 6.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.9 -1.125 . . . . 0.0 110.245 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.61 -27.98 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.361 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -54.29 -25.79 25.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.02 -1.05 . . . . 0.0 109.93 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.02 -38.85 31.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.359 -0.838 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -75.85 -45.88 33.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.908 . . . . 0.0 110.204 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.5 -36.96 74.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.237 -0.914 . . . . 0.0 110.138 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.44 -39.11 71.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.912 . . . . 0.0 110.099 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -71.48 -38.57 71.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.905 . . . . 0.0 109.991 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -60.2 -27.82 67.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -0.869 . . . . 0.0 110.032 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -62.34 -70.63 0.19 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 0.0 109.503 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -51.02 -38.35 50.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.484 -0.76 . . . . 0.0 110.0 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.19 -21.46 13.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.313 -0.867 . . . . 0.0 110.079 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -49.89 -44.68 50.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.248 -0.908 . . . . 0.0 110.287 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.17 -38.12 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.0 110.107 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -22.13 65.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.266 -0.896 . . . . 0.0 110.059 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.82 -67.93 0.84 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.351 -0.843 . . . . 0.0 110.127 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 117.919 -1.038 . . . . 0.0 110.179 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.245 0.545 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -159.16 75.74 3.24 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.172 -0.955 . . . . 0.0 110.251 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' B' ' 12' ' ' ASN . 44.6 Cg_endo -73.82 -57.49 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.65 1.342 . . . . 0.0 110.566 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.26 -82.97 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.398 -0.814 . . . . 0.0 110.499 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' B' ' 10' ' ' PRO . 3.5 p-10 -149.28 34.65 0.72 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.166 -0.959 . . . . 0.0 110.09 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.617 ' N ' ' CD ' ' B' ' 14' ' ' PRO . 7.4 p -81.69 -24.99 0.39 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.872 . . . . 0.0 112.829 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' B' ' 13' ' ' VAL . 49.6 Cg_endo -79.6 -58.87 0.03 OUTLIER 'Trans proline' 0 N--CA 1.481 0.773 0 N-CA-C 110.196 -0.732 . . . . 0.0 110.196 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.6 mtt 50.67 -169.88 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.0 110.474 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -158.52 43.39 0.27 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.26 -0.9 . . . . 0.0 110.057 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 24.9 ptm -53.36 -28.82 31.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.932 . . . . 0.0 110.318 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.406 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 1.3 m -65.72 148.81 98.0 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.214 -0.929 . . . . 0.0 110.16 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' B' ' 21' ' ' ALA . 48.8 Cg_endo -86.32 30.44 0.48 Allowed 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.704 1.37 . . . . 0.0 111.631 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? 63.88 -68.8 0.09 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.224 -0.922 . . . . 0.0 111.424 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.97 -48.32 21.64 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.071 -1.018 . . . . 0.0 110.95 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' B' ' 22' ' ' LEU . 10.2 mp -80.82 -37.79 29.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 0.0 109.314 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.406 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 1.5 tt0 -50.34 -53.14 31.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.765 -0.584 . . . . 0.0 110.615 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -66.87 -41.73 86.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.144 -0.972 . . . . 0.0 110.345 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -62.12 -38.26 88.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.137 -0.977 . . . . 0.0 110.438 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 95.3 mt -80.1 -43.86 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.924 . . . . 0.0 110.463 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -65.61 -31.45 72.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.243 -0.911 . . . . 0.0 110.551 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -80.01 -38.02 32.92 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.147 -0.971 . . . . 0.0 110.438 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 35.4 mt -73.08 -34.19 66.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.194 -0.941 . . . . 0.0 110.408 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.02 -50.17 74.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 110.457 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.38 -29.11 73.0 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.56 -30.33 71.46 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.172 -1.193 . . . . 0.0 110.369 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mtp -62.62 -58.17 8.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.152 -0.968 . . . . 0.0 110.466 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.8 ttm -58.02 -43.11 86.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.274 -0.892 . . . . 0.0 110.555 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.18 -75.81 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.196 -0.94 . . . . 0.0 110.556 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.454 ' HB2' ' CB ' ' B' ' 45' ' ' ALA . 15.7 m-70 -50.83 -54.63 22.09 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.259 -0.901 . . . . 0.0 110.562 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.04 -41.11 24.9 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.214 -0.929 . . . . 0.0 110.199 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -62.06 -33.33 74.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.202 -0.936 . . . . 0.0 109.313 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -91.85 18.43 7.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.774 . . . . 0.0 109.615 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mp 55.94 23.53 6.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.475 -0.766 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.37 -47.51 70.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 108.928 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.532 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 3.9 m-85 48.35 -176.32 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.667 -0.645 . . . . 0.0 111.224 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 26.4 tt0 65.65 -63.57 0.21 Allowed 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.735 0.779 . . . . 0.0 109.127 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 42' ' ' PHE . 14.1 pt-20 -82.69 -29.81 29.64 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-O 121.371 0.605 . . . . 0.0 109.836 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' B' ' 36' ' ' HIS . . . -80.81 -47.0 14.47 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.399 -0.813 . . . . 0.0 111.243 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.535 ' CB ' ' CD1' ' A' ' 42' ' ' PHE . . . -73.29 -37.81 66.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.205 -0.935 . . . . 0.0 110.864 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 8.2 mm-40 -52.95 -23.12 6.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.99 -1.069 . . . . 0.0 110.208 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 90.6 mt -64.62 -27.94 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.32 -0.862 . . . . 0.0 110.363 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.2 OUTLIER -54.38 -25.63 25.52 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.06 -1.025 . . . . 0.0 109.951 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.09 -38.79 30.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.355 -0.841 . . . . 0.0 110.111 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -75.98 -45.9 32.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.908 . . . . 0.0 110.096 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -36.84 74.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.235 -0.916 . . . . 0.0 110.166 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -71.42 -39.25 71.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -0.91 . . . . 0.0 110.05 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -71.38 -38.65 71.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 110.052 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.18 -27.95 67.54 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.293 -0.879 . . . . 0.0 109.962 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -62.27 -70.55 0.19 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 0.0 109.562 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -51.05 -38.3 50.7 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.481 -0.762 . . . . 0.0 110.025 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.25 -21.39 14.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.332 -0.855 . . . . 0.0 110.113 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -49.91 -44.68 50.32 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.199 -0.938 . . . . 0.0 110.268 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.21 -38.16 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.181 -0.95 . . . . 0.0 110.015 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.1 -22.22 65.63 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.2 -0.938 . . . . 0.0 110.077 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.68 -67.93 0.84 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.354 -0.841 . . . . 0.0 110.269 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.215 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.579 ' HG3' HD23 ' A' ' 22' ' ' LEU . 43.7 Cg_endo . . . . . 0 N--CA 1.487 1.097 0 CA-C-O 120.988 0.328 . . . . 0.0 111.489 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? 63.79 -70.31 0.07 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.402 -0.812 . . . . 0.0 110.953 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -52.03 -60.34 3.31 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.906 -1.121 . . . . 0.0 109.846 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.004 HD11 HD11 ' A' ' 26' ' ' ILE . 4.2 tp -56.69 -61.38 2.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.0 109.218 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -49.57 -34.03 16.59 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.389 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -72.39 -36.56 68.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.271 -0.893 . . . . 0.0 110.044 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -45.55 61.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.269 -0.894 . . . . 0.0 110.076 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 1.004 HD11 HD11 ' A' ' 22' ' ' LEU . 71.6 mt -54.63 -55.06 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 110.116 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.56 -22.3 63.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.278 -0.889 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -43.45 21.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.299 -0.875 . . . . 0.0 110.389 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.469 ' HB3' HD23 ' A' ' 52' ' ' LEU . 14.7 mt -71.19 -43.21 67.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.245 -0.909 . . . . 0.0 110.433 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.678 ' N ' HD21 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -61.22 -43.39 98.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.239 -0.913 . . . . 0.0 110.324 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.89 -22.05 70.0 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.496 HD23 HD11 ' A' ' 48' ' ' ILE . 9.0 tp -73.8 -39.88 63.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -1.187 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.661 ' HE1' HD23 ' B' ' 40' ' ' LEU . 9.7 mtp -53.06 -51.66 61.05 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -0.951 . . . . 0.0 110.379 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.468 ' HE1' ' HA ' ' B' ' 38' ' ' GLN . 1.0 OUTLIER -49.23 -45.22 44.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.266 -0.896 . . . . 0.0 110.654 -179.68 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.07 -74.83 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.18 -0.95 . . . . 0.0 110.425 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.535 ' ND1' ' HB2' ' A' ' 45' ' ' ALA . 2.3 m170 -54.89 -54.98 35.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.252 -0.905 . . . . 0.0 110.759 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.96 -30.62 2.67 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.295 -0.878 . . . . 0.0 110.126 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.541 ' HA ' ' HE1' ' B' ' 34' ' ' MET . 16.1 mt-30 -80.14 -34.55 37.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.37 -0.831 . . . . 0.0 109.256 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -95.34 24.65 4.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.441 -0.787 . . . . 0.0 109.624 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.859 HD23 ' HE1' ' B' ' 33' ' ' MET . 4.1 mp 55.11 30.47 14.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.453 -0.78 . . . . 0.0 110.767 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . 6.1 mm-40 -110.03 20.63 17.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.158 -0.963 . . . . 0.0 109.834 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.993 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.6 p90 -61.26 -8.82 4.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.567 -0.708 . . . . 0.0 112.029 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -48.93 -68.44 0.18 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.579 -1.326 . . . . 0.0 109.373 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -81.4 -19.21 43.09 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.551 -0.718 . . . . 0.0 109.65 178.28 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.993 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -77.05 -51.47 11.01 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.358 -0.839 . . . . 0.0 111.593 -179.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.732 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -51.39 -23.47 3.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.977 -1.077 . . . . 0.0 110.531 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -54.79 -32.4 60.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.035 -1.04 . . . . 0.0 109.593 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.496 HD11 HD23 ' A' ' 32' ' ' LEU . 36.4 mt -54.18 -28.4 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.339 -0.851 . . . . 0.0 109.335 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -48.72 -33.98 11.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.465 -0.772 . . . . 0.0 109.733 179.267 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -71.87 -37.46 70.19 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.35 -0.844 . . . . 0.0 109.788 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.654 ' O ' HD12 ' A' ' 55' ' ' LEU . 20.1 mt-30 -80.15 -34.93 37.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.847 . . . . 0.0 109.987 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.678 HD21 ' N ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -66.75 -36.88 83.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.275 -0.891 . . . . 0.0 110.185 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -77.1 -44.64 29.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.888 . . . . 0.0 110.2 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.15 -44.55 91.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.212 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 51' ' ' GLN . 15.8 mt -65.39 -24.19 67.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.178 -0.952 . . . . 0.0 110.166 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -61.31 -62.03 2.12 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.225 -0.922 . . . . 0.0 110.15 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -54.41 -37.91 65.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.0 110.146 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 55' ' ' LEU . 43.4 mt -64.7 -19.85 65.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.783 ' HA ' HD21 ' A' ' 22' ' ' LEU . 44.4 t80 -51.21 -45.0 61.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -76.92 -49.11 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.218 -0.926 . . . . 0.0 110.155 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.79 -24.46 15.4 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.226 -0.921 . . . . 0.0 110.163 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 110.205 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.579 ' HG3' HD23 ' B' ' 22' ' ' LEU . 43.8 Cg_endo . . . . . 0 N--CA 1.487 1.131 0 CA-C-O 121.013 0.339 . . . . 0.0 111.514 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? 63.73 -70.38 0.07 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.394 -0.816 . . . . 0.0 110.961 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -52.04 -60.26 3.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.908 -1.12 . . . . 0.0 109.934 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.988 HD11 HD11 ' B' ' 26' ' ' ILE . 4.1 tp -56.74 -61.37 2.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.395 -0.815 . . . . 0.0 109.222 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -49.59 -34.02 16.71 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.396 -0.815 . . . . 0.0 110.382 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -72.4 -36.53 68.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.272 -0.893 . . . . 0.0 110.048 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -45.4 61.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.238 -0.913 . . . . 0.0 110.136 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.988 HD11 HD11 ' B' ' 22' ' ' LEU . 71.5 mt -54.75 -54.95 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.376 -0.828 . . . . 0.0 110.117 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.64 -22.3 63.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.895 . . . . 0.0 110.275 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -43.67 20.81 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.275 -0.891 . . . . 0.0 110.345 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.471 ' CB ' ' CD2' ' B' ' 52' ' ' LEU . 14.6 mt -71.01 -43.29 68.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.223 -0.923 . . . . 0.0 110.451 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.681 ' N ' HD21 ' B' ' 52' ' ' LEU . 0.5 OUTLIER -61.27 -43.23 99.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 0.0 110.263 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.83 -22.31 70.09 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.489 HD23 HD11 ' B' ' 48' ' ' ILE . 8.9 tp -73.66 -40.13 63.94 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.227 -1.161 . . . . 0.0 110.307 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.859 ' HE1' HD23 ' A' ' 40' ' ' LEU . 9.9 mtp -52.77 -51.66 59.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.215 -0.928 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' MET . . . . . 0.541 ' HE1' ' HA ' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -49.22 -45.43 44.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.327 -0.858 . . . . 0.0 110.632 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -75.01 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.269 -0.894 . . . . 0.0 110.468 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.533 ' ND1' ' HB2' ' B' ' 45' ' ' ALA . 2.3 m170 -54.77 -54.85 36.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.746 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.08 -30.86 2.99 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.261 -0.9 . . . . 0.0 110.139 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.468 ' HA ' ' HE1' ' A' ' 34' ' ' MET . 16.2 mt-30 -79.85 -34.61 39.18 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 109.204 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -95.26 24.72 4.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.478 -0.764 . . . . 0.0 109.651 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.661 HD23 ' HE1' ' A' ' 33' ' ' MET . 4.1 mp 55.04 30.31 13.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.514 -0.741 . . . . 0.0 110.803 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' B' ' 36' ' ' HIS . 6.0 mm-40 -109.89 20.73 17.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.179 -0.951 . . . . 0.0 109.824 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.974 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 5.8 p90 -61.38 -8.6 4.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.541 -0.724 . . . . 0.0 112.022 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -49.02 -68.43 0.18 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.537 -1.352 . . . . 0.0 109.443 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 0.3 OUTLIER -81.53 -19.23 42.57 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.581 -0.699 . . . . 0.0 109.608 178.327 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.974 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -76.89 -51.54 11.06 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.339 -0.851 . . . . 0.0 111.533 -179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.718 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -50.96 -23.9 3.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.089 -1.007 . . . . 0.0 110.579 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -54.71 -32.55 59.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.119 -0.988 . . . . 0.0 109.61 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.489 HD11 HD23 ' B' ' 32' ' ' LEU . 36.2 mt -54.09 -28.43 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.367 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -48.68 -34.01 11.09 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.507 -0.746 . . . . 0.0 109.777 179.272 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -71.85 -37.44 70.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.3 -0.875 . . . . 0.0 109.801 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.654 ' O ' HD12 ' B' ' 55' ' ' LEU . 20.2 mt-30 -80.16 -34.83 37.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.28 -0.888 . . . . 0.0 110.004 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.681 HD21 ' N ' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -66.8 -36.9 83.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.181 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -77.11 -44.53 30.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.247 -0.908 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -64.21 -44.48 91.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.248 -0.908 . . . . 0.0 110.272 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.654 HD12 ' O ' ' B' ' 51' ' ' GLN . 15.7 mt -65.41 -24.21 67.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.192 -0.943 . . . . 0.0 110.206 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -61.25 -62.15 2.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.93 . . . . 0.0 110.196 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -54.33 -37.94 65.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.272 -0.893 . . . . 0.0 110.151 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' B' ' 55' ' ' LEU . 43.4 mt -64.64 -19.87 65.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' PHE . . . . . 0.777 ' HA ' HD21 ' B' ' 22' ' ' LEU . 44.3 t80 -51.27 -44.93 61.93 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.139 -0.976 . . . . 0.0 110.421 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.6 mt -76.93 -49.13 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.279 -0.888 . . . . 0.0 110.153 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.81 -24.48 15.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.895 . . . . 0.0 110.124 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.62 -74.64 0.38 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.312 -0.868 . . . . 0.0 110.166 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.2 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HG2' HD13 ' A' ' 22' ' ' LEU . 45.5 Cg_endo . . . . . 0 C--O 1.214 -0.721 0 CA-C-O 120.974 0.323 . . . . 0.0 111.659 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.18 -67.55 0.11 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.303 -0.873 . . . . 0.0 111.573 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.89 -45.61 15.34 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.171 -0.955 . . . . 0.0 111.009 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.656 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.3 mp -80.51 -47.47 14.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.193 -0.942 . . . . 0.0 109.499 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -52.47 -54.93 25.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.697 -0.627 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -62.53 -46.77 86.86 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 0.0 110.198 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -58.21 -51.69 68.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 110.304 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.42 -58.23 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.25 -0.906 . . . . 0.0 110.182 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -60.7 -28.01 68.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.174 -0.954 . . . . 0.0 110.331 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -80.06 -40.61 27.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.231 -0.918 . . . . 0.0 110.418 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.643 ' O ' HG21 ' A' ' 48' ' ' ILE . 40.0 mt -72.93 -36.7 67.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.223 -0.923 . . . . 0.0 110.327 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.434 ' N ' HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -68.04 -46.58 70.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.187 -0.946 . . . . 0.0 110.126 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.43 -34.75 64.05 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.613 HD12 ' CD ' ' A' ' 35' ' ' GLN . 22.2 tp -67.93 -37.58 81.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.199 -1.177 . . . . 0.0 110.031 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.531 ' HA ' ' HB1' ' A' ' 45' ' ' ALA . 2.5 ttp -67.21 -23.5 65.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.833 . . . . 0.0 110.219 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.09 -58.09 3.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.35 -0.844 . . . . 0.0 110.536 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.613 ' CD ' HD12 ' A' ' 32' ' ' LEU . 8.0 pt20 -49.73 -33.64 16.71 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.109 -0.994 . . . . 0.0 110.391 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.562 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 33.8 m-70 -80.09 -57.1 3.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.266 -0.896 . . . . 0.0 110.1 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.584 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -48.85 -27.34 2.97 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.262 -0.898 . . . . 0.0 110.031 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -78.23 -39.39 40.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 0.0 109.419 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.54 28.96 2.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.41 -0.806 . . . . 0.0 109.567 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp 55.09 27.37 9.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.6 -0.688 . . . . 0.0 110.595 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -101.55 15.04 30.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.227 -0.92 . . . . 0.0 109.982 179.363 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.032 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.1 p90 -58.79 -13.73 6.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 111.258 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -49.32 -62.92 1.28 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.571 -1.331 . . . . 0.0 109.557 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 3.9 pt-20 -82.78 -19.84 37.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.994 -1.066 . . . . 0.0 109.601 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 1.032 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -79.03 -58.72 3.1 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 111.494 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.677 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -42.45 -28.46 0.21 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.483 -0.761 . . . . 0.0 111.147 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.74 -31.19 70.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.002 -1.061 . . . . 0.0 109.701 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.891 HG22 HD23 ' A' ' 52' ' ' LEU . 95.8 mt -53.69 -32.27 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.173 -0.954 . . . . 0.0 109.365 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -34.13 5.18 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.722 -0.611 . . . . 0.0 109.697 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.05 -39.41 86.9 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.348 -0.845 . . . . 0.0 109.146 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.843 ' O ' HD12 ' A' ' 55' ' ' LEU . 60.2 mt-30 -80.15 -33.61 38.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.426 -0.797 . . . . 0.0 109.537 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.891 HD23 HG22 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -67.33 -37.08 82.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.376 -0.828 . . . . 0.0 109.907 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -78.07 -48.86 15.13 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.325 -0.859 . . . . 0.0 110.129 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.08 -35.95 72.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.233 -0.917 . . . . 0.0 110.1 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.843 HD12 ' O ' ' A' ' 51' ' ' GLN . 4.5 mt -70.04 -27.12 64.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.293 -0.879 . . . . 0.0 110.087 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -53.92 44.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 110.092 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.34 -30.49 68.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.288 -0.883 . . . . 0.0 110.1 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 58' ' ' LEU . 26.2 mt -69.43 -20.01 63.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.219 -0.926 . . . . 0.0 110.257 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -52.18 -29.24 21.4 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.184 -0.948 . . . . 0.0 110.332 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.0 mm -75.75 -39.64 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 0.0 110.162 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -25.45 64.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 110.21 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.335 -0.853 . . . . 0.0 110.199 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.447 ' HG2' ' HB2' ' B' ' 22' ' ' LEU . 46.8 Cg_endo . . . . . 0 C--O 1.214 -0.716 0 CA-C-O 121.0 0.334 . . . . 0.0 111.697 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.21 -67.55 0.11 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.272 -0.892 . . . . 0.0 111.536 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.92 -45.62 15.52 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.233 -0.917 . . . . 0.0 110.999 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.662 ' N ' HD12 ' B' ' 22' ' ' LEU . 9.3 mp -80.55 -47.4 14.25 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.307 -0.87 . . . . 0.0 109.514 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -52.54 -54.96 25.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.674 -0.641 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -62.54 -46.73 87.06 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -58.11 -51.72 68.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 110.308 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.48 -58.19 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.908 . . . . 0.0 110.22 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -60.74 -27.83 68.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.323 -0.861 . . . . 0.0 110.323 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -80.15 -40.79 26.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.28 -0.887 . . . . 0.0 110.313 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.653 ' O ' HG21 ' B' ' 48' ' ' ILE . 39.9 mt -72.83 -36.63 67.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.26 -0.9 . . . . 0.0 110.371 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.434 ' N ' HD21 ' B' ' 52' ' ' LEU . 0.1 OUTLIER -68.07 -46.67 70.4 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.292 -0.88 . . . . 0.0 110.087 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.32 -34.75 63.59 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.623 HD12 ' CD ' ' B' ' 35' ' ' GLN . 22.2 tp -67.92 -37.61 81.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.245 -1.15 . . . . 0.0 110.058 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.533 ' HA ' ' HB1' ' B' ' 45' ' ' ALA . 2.5 ttp -67.14 -23.57 65.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.385 -0.822 . . . . 0.0 110.212 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.09 -57.92 3.4 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.619 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.623 ' CD ' HD12 ' B' ' 32' ' ' LEU . 19.5 pt20 -49.86 -33.54 17.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.185 -0.947 . . . . 0.0 110.418 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.57 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 33.8 m-70 -80.2 -56.98 3.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 110.058 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.584 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -49.0 -27.35 3.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.237 -0.914 . . . . 0.0 109.992 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -78.19 -39.37 40.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.413 -0.804 . . . . 0.0 109.499 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -95.51 28.84 2.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.488 -0.757 . . . . 0.0 109.553 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp 55.1 27.54 9.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.496 -0.752 . . . . 0.0 110.556 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' B' ' 36' ' ' HIS . 0.0 OUTLIER -101.66 15.01 30.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.237 -0.914 . . . . 0.0 109.993 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 1.032 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 5.1 p90 -58.81 -13.65 6.74 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 0.0 111.303 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -49.46 -62.84 1.33 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.601 -1.312 . . . . 0.0 109.508 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 3.9 pt-20 -82.8 -19.83 36.94 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.049 -1.032 . . . . 0.0 109.642 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 1.032 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -79.07 -58.69 3.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.506 -0.746 . . . . 0.0 111.517 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.675 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -42.49 -28.41 0.21 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.471 -0.768 . . . . 0.0 111.18 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.69 -31.21 70.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.071 -1.018 . . . . 0.0 109.686 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.867 HG22 HD23 ' B' ' 52' ' ' LEU . 95.8 mt -53.63 -32.37 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 0.0 109.401 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -46.84 -34.18 5.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.674 -0.641 . . . . 0.0 109.702 179.043 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.0 -39.46 87.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.339 -0.851 . . . . 0.0 109.082 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.856 ' O ' HD12 ' B' ' 55' ' ' LEU . 60.1 mt-30 -80.19 -33.65 38.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.454 -0.779 . . . . 0.0 109.471 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.867 HD23 HG22 ' B' ' 48' ' ' ILE . 0.5 OUTLIER -67.3 -37.08 82.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.475 -0.766 . . . . 0.0 109.9 179.694 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -78.04 -49.02 14.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.38 -0.825 . . . . 0.0 110.074 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.93 -36.03 71.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.239 -0.913 . . . . 0.0 110.053 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.856 HD12 ' O ' ' B' ' 51' ' ' GLN . 4.5 mt -69.98 -27.16 64.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 0.0 110.131 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -53.98 43.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.29 -0.882 . . . . 0.0 110.158 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.24 -30.63 68.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -0.878 . . . . 0.0 110.044 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' B' ' 58' ' ' LEU . 26.4 mt -69.32 -20.0 63.88 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.278 -0.889 . . . . 0.0 110.261 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -52.15 -29.35 21.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.113 -0.992 . . . . 0.0 110.237 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 48.9 mm -75.69 -39.61 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.243 -0.91 . . . . 0.0 110.223 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.38 -25.45 64.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.279 -0.888 . . . . 0.0 110.132 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.54 -67.84 0.83 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.242 -0.911 . . . . 0.0 110.206 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.183 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.539 ' HG2' HD13 ' A' ' 22' ' ' LEU . 47.6 Cg_endo . . . . . 0 N--CA 1.483 0.907 0 N-CA-C 111.1 -0.385 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 61.49 -69.44 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.695 -0.628 . . . . 0.0 111.218 179.054 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -44.86 -48.11 11.12 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.287 -0.883 . . . . 0.0 110.709 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.704 HD12 ' N ' ' A' ' 22' ' ' LEU . 7.3 mp -80.59 -30.45 36.9 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.302 -0.874 . . . . 0.0 108.9 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -57.0 -46.57 82.18 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.097 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -39.06 63.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.927 . . . . 0.0 110.105 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -48.52 74.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 0.0 110.137 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.568 HG23 HD13 ' A' ' 52' ' ' LEU . 76.7 mt -63.15 -45.81 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.354 -0.841 . . . . 0.0 110.067 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -67.32 -21.71 65.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 0.0 110.162 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -47.47 44.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 0.0 110.26 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.44 ' CB ' HD21 ' A' ' 52' ' ' LEU . 44.1 mt -71.72 -41.0 69.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.23 -0.919 . . . . 0.0 110.192 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.19 -47.64 74.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.34 -0.85 . . . . 0.0 110.101 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.31 -24.43 55.59 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 32' ' ' LEU . 10.2 tp -71.2 -35.98 71.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.266 -1.138 . . . . 0.0 110.121 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.921 ' HE1' HD23 ' B' ' 40' ' ' LEU . 5.2 mtp -63.53 -51.38 65.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.175 -0.953 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.2 mtp -50.01 -51.03 45.07 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.346 -0.847 . . . . 0.0 110.693 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.0 -78.44 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.152 -0.967 . . . . 0.0 110.538 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.469 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 69.0 m-70 -50.29 -54.39 21.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.243 -0.911 . . . . 0.0 110.532 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.428 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -46.66 -33.59 4.37 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.349 -0.845 . . . . 0.0 110.274 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -80.12 -33.7 38.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.384 -0.822 . . . . 0.0 109.483 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -94.64 24.71 4.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.462 -0.774 . . . . 0.0 109.694 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.905 HD23 ' HE1' ' B' ' 33' ' ' MET . 2.3 mp 55.31 40.47 31.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.518 -0.738 . . . . 0.0 110.72 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . 6.7 mm-40 -120.07 17.31 12.46 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.238 -0.914 . . . . 0.0 109.8 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.01 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.4 p90 -59.95 -9.92 3.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.492 -0.755 . . . . 0.0 111.93 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -50.51 -65.86 0.49 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.476 -1.39 . . . . 0.0 109.156 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -81.84 -18.63 43.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.449 -0.782 . . . . 0.0 109.841 178.207 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 1.01 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -80.9 -46.0 15.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.149 -0.969 . . . . 0.0 112.093 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.694 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -54.11 -38.11 65.04 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.065 -1.022 . . . . 0.0 111.825 -178.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -51.45 -24.42 4.99 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.675 -1.266 . . . . 0.0 109.809 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.58 HG22 HD23 ' A' ' 52' ' ' LEU . 35.7 mm -55.58 -30.7 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.301 -0.874 . . . . 0.0 109.21 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -52.09 -28.69 18.51 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -0.826 . . . . 0.0 109.407 179.179 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -44.58 75.67 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.543 ' O ' HD13 ' A' ' 55' ' ' LEU . 76.8 mt-30 -67.86 -31.21 70.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.367 -0.833 . . . . 0.0 109.372 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.58 HD23 HG22 ' A' ' 48' ' ' ILE . 1.6 mm? -68.08 -43.23 79.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.369 -0.832 . . . . 0.0 109.842 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -78.27 -34.89 48.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.331 -0.856 . . . . 0.0 110.028 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HA ' ' OE2' ' A' ' 57' ' ' GLU . 29.5 tt0 -64.64 -41.13 96.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.316 -0.865 . . . . 0.0 110.032 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 51' ' ' GLN . 2.4 mp -64.27 -19.92 65.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.922 . . . . 0.0 110.092 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -56.61 -59.7 4.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.919 . . . . 0.0 110.461 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' OE2' ' HA ' ' A' ' 54' ' ' GLN . 1.2 pt-20 -60.26 -23.52 64.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.199 -0.938 . . . . 0.0 110.235 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -19.95 50.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 110.229 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -50.98 -46.43 61.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.17 -0.956 . . . . 0.0 110.397 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.9 -40.16 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.25 -0.906 . . . . 0.0 110.057 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.22 -21.56 66.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.839 . . . . 0.0 110.148 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.254 -0.904 . . . . 0.0 110.193 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.551 ' HG2' HD13 ' B' ' 22' ' ' LEU . 48.0 Cg_endo . . . . . 0 N--CA 1.483 0.859 0 N-CA-C 111.136 -0.371 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 61.44 -69.42 0.05 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 O-C-N 121.735 -0.603 . . . . 0.0 111.245 179.082 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -44.83 -48.17 11.03 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.365 -0.834 . . . . 0.0 110.702 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.706 ' N ' HD12 ' B' ' 22' ' ' LEU . 7.3 mp -80.53 -30.46 37.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.234 -0.916 . . . . 0.0 108.948 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -56.99 -46.47 82.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.62 -0.675 . . . . 0.0 110.157 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -39.08 63.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.132 -0.98 . . . . 0.0 110.104 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -48.61 73.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.266 -0.896 . . . . 0.0 110.177 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.582 HG23 HD13 ' B' ' 52' ' ' LEU . 77.2 mt -63.12 -45.72 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 110.179 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -67.33 -21.69 65.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.263 -0.898 . . . . 0.0 110.222 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.95 -47.57 44.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.915 . . . . 0.0 110.207 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.426 ' CB ' HD21 ' B' ' 52' ' ' LEU . 44.3 mt -71.69 -40.95 69.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.251 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.18 -47.58 75.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 110.175 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.37 -24.5 55.97 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 tp -71.12 -35.92 71.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -1.154 . . . . 0.0 110.181 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.905 ' HE1' HD23 ' A' ' 40' ' ' LEU . 5.0 mtp -63.59 -51.46 65.23 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 3.2 mtp -49.99 -50.94 45.41 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.274 -0.891 . . . . 0.0 110.696 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -78.49 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.199 -0.938 . . . . 0.0 110.504 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.47 ' HB2' ' CB ' ' B' ' 45' ' ' ALA . 69.1 m-70 -50.28 -54.3 22.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.248 -0.907 . . . . 0.0 110.613 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.428 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -46.71 -33.57 4.42 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.404 -0.81 . . . . 0.0 110.304 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -80.11 -33.64 38.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -0.894 . . . . 0.0 109.509 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -94.69 24.7 4.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.383 -0.823 . . . . 0.0 109.589 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.921 HD23 ' HE1' ' A' ' 33' ' ' MET . 2.3 mp 55.37 40.31 31.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.484 -0.76 . . . . 0.0 110.742 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' B' ' 36' ' ' HIS . 6.7 mm-40 -120.03 17.51 12.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.25 -0.906 . . . . 0.0 109.815 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 1.009 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 5.4 p90 -60.01 -9.97 3.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.467 -0.771 . . . . 0.0 111.912 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -50.57 -65.78 0.5 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.449 -1.407 . . . . 0.0 109.144 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER -81.95 -18.58 43.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.757 . . . . 0.0 109.833 178.236 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 1.009 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -80.97 -45.94 15.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.143 -0.973 . . . . 0.0 112.128 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.698 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -54.07 -38.09 64.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.167 -0.958 . . . . 0.0 111.852 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' B' ' 44' ' ' GLU . 0.0 OUTLIER -51.44 -24.48 5.03 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.654 -1.279 . . . . 0.0 109.766 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.58 HG22 HD23 ' B' ' 52' ' ' LEU . 35.8 mm -55.53 -30.7 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.324 -0.86 . . . . 0.0 109.141 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.1 OUTLIER -52.01 -28.87 18.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.345 -0.847 . . . . 0.0 109.42 179.147 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -44.52 75.96 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.548 ' O ' HD13 ' B' ' 55' ' ' LEU . 76.8 mt-30 -67.93 -31.27 70.91 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.389 -0.819 . . . . 0.0 109.312 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.582 HD13 HG23 ' B' ' 26' ' ' ILE . 1.6 mm? -67.95 -43.3 79.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.78 . . . . 0.0 109.897 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -78.19 -34.94 49.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.884 . . . . 0.0 110.113 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.418 ' HA ' ' OE2' ' B' ' 57' ' ' GLU . 29.5 tt0 -64.66 -41.1 96.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.215 -0.928 . . . . 0.0 110.069 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.548 HD13 ' O ' ' B' ' 51' ' ' GLN . 2.4 mp -64.2 -19.88 65.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.227 -0.92 . . . . 0.0 110.178 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -56.7 -59.54 4.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.254 -0.904 . . . . 0.0 110.495 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.418 ' OE2' ' HA ' ' B' ' 54' ' ' GLN . 1.2 pt-20 -60.43 -23.44 64.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.121 -0.987 . . . . 0.0 110.28 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -19.92 50.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.231 -0.918 . . . . 0.0 110.283 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -51.03 -46.26 61.55 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.193 -0.942 . . . . 0.0 110.449 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.97 -40.17 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 0.0 110.11 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.53 66.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.882 . . . . 0.0 110.186 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.75 -64.46 1.04 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 110.209 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.21 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HG2' HD13 ' A' ' 22' ' ' LEU . 47.5 Cg_endo . . . . . 0 C--O 1.214 -0.709 0 CA-C-O 120.939 0.308 . . . . 0.0 111.654 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.65 -67.43 0.12 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.245 -0.909 . . . . 0.0 111.444 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.49 -46.2 18.87 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.113 -0.992 . . . . 0.0 110.9 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.9 mp -80.55 -43.18 21.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.228 -0.92 . . . . 0.0 109.368 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -51.68 -53.12 42.46 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.723 -0.61 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -71.05 -33.35 70.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.229 -0.919 . . . . 0.0 110.138 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -51.58 43.91 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.231 -0.918 . . . . 0.0 110.153 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.636 HG23 HD13 ' A' ' 52' ' ' LEU . 95.3 mt -59.71 -50.96 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.0 110.181 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -62.4 -33.36 74.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.339 -0.851 . . . . 0.0 110.254 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -80.03 -40.33 28.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.305 -0.872 . . . . 0.0 110.301 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 mt -71.08 -34.69 71.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 110.375 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.443 ' N ' HD21 ' A' ' 52' ' ' LEU . 1.7 tt0 -61.46 -41.58 97.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.212 -0.93 . . . . 0.0 110.315 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.06 -22.93 62.39 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.34 -22.02 66.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.277 -1.131 . . . . 0.0 110.333 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . 1.025 ' CE ' HD21 ' B' ' 40' ' ' LEU . 3.3 mtp -65.46 -56.58 11.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.0 110.345 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -34.72 41.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.225 -0.922 . . . . 0.0 110.212 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -74.92 0.07 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.345 -0.847 . . . . 0.0 110.199 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.833 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 82.4 m-70 -51.71 -45.93 63.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 0.0 110.361 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.55 -39.0 64.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.047 -1.033 . . . . 0.0 109.131 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -66.75 -34.0 76.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.384 -0.823 . . . . 0.0 109.269 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -85.33 7.23 23.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.504 -0.748 . . . . 0.0 109.635 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.023 HD21 ' CE ' ' B' ' 33' ' ' MET . 0.3 OUTLIER 64.85 17.7 11.13 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.324 -0.86 . . . . 0.0 111.222 179.707 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' GLU . 15.6 mm-40 -65.14 -51.03 63.65 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.848 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 1.5 m-85 62.21 -57.14 0.13 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' GLU . 33.0 tt0 -46.76 -60.4 2.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.974 -1.079 . . . . 0.0 109.715 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 16.3 pt-20 -81.13 -19.08 44.29 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.525 -0.734 . . . . 0.0 110.294 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.833 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -81.0 -51.03 8.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.055 -1.028 . . . . 0.0 111.695 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.833 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -80.35 -19.46 46.37 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.269 -0.894 . . . . 0.0 111.134 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 43' ' ' GLU . 7.6 mm-40 -70.1 -20.54 63.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.819 -1.176 . . . . 0.0 109.974 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.403 ' HB ' ' HG3' ' A' ' 33' ' ' MET . 84.3 mt -68.06 -27.58 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.265 -0.897 . . . . 0.0 110.628 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -53.39 -27.0 21.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.059 -1.026 . . . . 0.0 110.143 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.77 -36.54 36.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 0.0 109.988 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.725 ' O ' HD12 ' A' ' 55' ' ' LEU . 30.4 mt-30 -74.2 -32.67 63.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.871 . . . . 0.0 110.005 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.636 HD13 HG23 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -69.03 -51.07 42.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.277 -0.89 . . . . 0.0 110.033 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -68.22 -37.56 80.98 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.308 -0.87 . . . . 0.0 110.042 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -70.5 -41.98 71.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.277 -0.889 . . . . 0.0 110.109 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 51' ' ' GLN . 6.2 mt -56.73 -31.22 64.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.282 -0.886 . . . . 0.0 110.097 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -53.57 56.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -0.891 . . . . 0.0 110.161 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.82 -44.46 77.92 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.202 -0.936 . . . . 0.0 110.059 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 58' ' ' LEU . 55.3 mt -58.06 -23.95 56.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.365 -0.834 . . . . 0.0 110.274 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -53.21 -38.6 63.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.162 -0.961 . . . . 0.0 110.215 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.9 mm -78.13 -36.7 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.162 -0.961 . . . . 0.0 110.158 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.27 66.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.901 . . . . 0.0 110.25 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 110.227 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.465 ' HG2' HD13 ' B' ' 22' ' ' LEU . 47.5 Cg_endo . . . . . 0 C--O 1.215 -0.668 0 CA-C-O 120.946 0.311 . . . . 0.0 111.592 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.71 -67.34 0.12 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.211 -0.93 . . . . 0.0 111.412 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.63 -46.08 19.53 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.197 -0.939 . . . . 0.0 110.922 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.652 ' N ' HD12 ' B' ' 22' ' ' LEU . 10.0 mp -80.67 -43.19 20.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.906 . . . . 0.0 109.294 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -51.66 -53.1 42.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.682 -0.636 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -70.96 -33.47 70.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.234 -0.917 . . . . 0.0 110.133 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -51.53 44.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.293 -0.88 . . . . 0.0 110.141 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.654 HG23 HD13 ' B' ' 52' ' ' LEU . 95.3 mt -59.67 -51.08 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.887 . . . . 0.0 110.199 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -62.31 -33.34 74.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.311 -0.868 . . . . 0.0 110.228 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -80.05 -40.31 28.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.228 -0.92 . . . . 0.0 110.336 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 38.3 mt -71.12 -34.75 71.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.206 -0.934 . . . . 0.0 110.314 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.459 ' N ' HD21 ' B' ' 52' ' ' LEU . 1.7 tt0 -61.47 -41.53 97.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.23 -0.919 . . . . 0.0 110.323 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.05 -22.97 62.33 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.29 -22.1 66.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.142 -1.211 . . . . 0.0 110.355 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' MET . . . . . 1.023 ' CE ' HD21 ' A' ' 40' ' ' LEU . 3.3 mtp -65.36 -56.63 11.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.212 -0.93 . . . . 0.0 110.306 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -34.71 41.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -74.93 0.07 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.334 -0.854 . . . . 0.0 110.174 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.832 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 82.4 m-70 -51.73 -45.9 63.81 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.157 -0.965 . . . . 0.0 110.366 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.53 -39.04 64.36 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.1 -1.0 . . . . 0.0 109.146 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -66.74 -34.01 76.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.46 -0.775 . . . . 0.0 109.278 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -85.34 7.32 22.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.427 -0.796 . . . . 0.0 109.697 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 1.025 HD21 ' CE ' ' A' ' 33' ' ' MET . 0.3 OUTLIER 64.85 17.71 11.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.307 -0.87 . . . . 0.0 111.219 179.644 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 43' ' ' GLU . 15.6 mm-40 -65.09 -51.06 63.57 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.833 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 1.5 m-85 62.02 -57.02 0.13 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 178.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 41' ' ' GLU . 33.0 tt0 -46.76 -60.44 2.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.997 -1.064 . . . . 0.0 109.745 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.465 ' OE1' ' CE1' ' B' ' 36' ' ' HIS . 16.3 pt-20 -81.09 -19.03 44.54 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.606 -0.684 . . . . 0.0 110.354 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.832 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.99 -51.09 8.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.031 -1.043 . . . . 0.0 111.645 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.848 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -80.38 -19.45 46.31 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.197 -0.939 . . . . 0.0 111.093 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.4 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 7.6 mm-40 -70.1 -20.56 63.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.885 -1.135 . . . . 0.0 109.972 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.405 ' HB ' ' HG3' ' B' ' 33' ' ' MET . 83.9 mt -68.1 -27.56 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.254 -0.904 . . . . 0.0 110.652 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 1.0 OUTLIER -53.3 -27.05 21.01 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.051 -1.031 . . . . 0.0 110.229 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -36.49 37.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 0.0 109.949 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.732 ' O ' HD12 ' B' ' 55' ' ' LEU . 30.5 mt-30 -74.32 -32.62 62.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 109.985 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.654 HD13 HG23 ' B' ' 26' ' ' ILE . 0.3 OUTLIER -69.05 -51.03 43.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.361 -0.837 . . . . 0.0 110.072 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -68.19 -37.55 81.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 0.0 110.079 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -70.45 -42.11 71.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.0 110.127 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.732 HD12 ' O ' ' B' ' 51' ' ' GLN . 6.2 mt -56.57 -31.25 64.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 0.0 110.205 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' B' ' 59' ' ' PHE . 0.1 OUTLIER -56.48 -53.74 53.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.314 -0.866 . . . . 0.0 110.065 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -55.8 -44.44 77.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.913 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' B' ' 58' ' ' LEU . 54.8 mt -58.12 -23.83 56.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -0.91 . . . . 0.0 110.232 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' B' ' 56' ' ' ARG . 50.3 t80 -53.31 -38.58 63.29 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.249 -0.907 . . . . 0.0 110.203 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.404 HD12 HG23 ' B' ' 60' ' ' ILE . 41.8 mm -78.01 -36.8 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.224 -0.922 . . . . 0.0 110.17 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.26 66.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.225 -0.922 . . . . 0.0 110.217 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.16 -65.96 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.305 -0.872 . . . . 0.0 110.186 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.209 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' ALA . 49.8 Cg_endo . . . . . 0 C--O 1.213 -0.736 0 CA-C-O 120.822 0.259 . . . . 0.0 111.548 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER 66.39 -63.02 0.26 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.307 -0.87 . . . . 0.0 110.911 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.19 -46.97 24.25 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.157 -0.964 . . . . 0.0 110.356 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.875 HD11 HD11 ' A' ' 26' ' ' ILE . 4.3 tp -77.08 -60.28 2.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.351 -0.843 . . . . 0.0 109.37 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -47.0 -33.95 5.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.466 -0.772 . . . . 0.0 110.504 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -73.27 -36.12 66.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 109.977 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -46.8 61.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 110.111 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.875 HD11 HD11 ' A' ' 22' ' ' LEU . 58.8 mt -56.44 -55.39 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.301 -0.874 . . . . 0.0 110.136 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -55.74 -28.84 57.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.279 -0.888 . . . . 0.0 110.204 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.41 -40.97 41.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 110.189 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.578 ' HB2' HD21 ' A' ' 52' ' ' LEU . 86.8 mt -77.41 -42.22 37.04 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 110.212 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -37.56 84.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.221 -0.924 . . . . 0.0 110.133 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.76 -25.08 76.34 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HB3' HD13 ' A' ' 48' ' ' ILE . 7.7 tp -71.36 -40.63 70.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.254 -1.145 . . . . 0.0 110.103 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.643 ' HE1' HD23 ' B' ' 40' ' ' LEU . 11.8 mtp -53.96 -49.62 68.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.197 -0.94 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' B' ' 38' ' ' GLN . 4.1 mtp -51.92 -44.25 63.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.296 -0.877 . . . . 0.0 110.466 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.148 -0.97 . . . . 0.0 110.501 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.643 ' ND1' ' HB2' ' A' ' 45' ' ' ALA . 4.6 m170 -54.07 -50.62 66.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.909 . . . . 0.0 110.394 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -47.23 -33.56 5.56 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.439 -0.788 . . . . 0.0 110.205 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -79.1 -34.06 43.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 109.443 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.674 ' C ' HD12 ' A' ' 40' ' ' LEU . 55.0 m-20 -94.33 23.45 5.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.46 -0.775 . . . . 0.0 109.742 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.705 ' N ' HD12 ' A' ' 40' ' ' LEU . 5.0 mp 55.76 27.81 11.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.514 -0.741 . . . . 0.0 110.734 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . 28.7 mm-40 -106.34 18.11 22.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.305 -0.872 . . . . 0.0 109.887 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.03 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.0 p90 -60.52 -8.89 3.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.424 -0.798 . . . . 0.0 111.969 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -49.81 -67.13 0.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.428 -1.42 . . . . 0.0 109.316 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 3.2 pt-20 -81.9 -19.57 40.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.549 -0.719 . . . . 0.0 109.733 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 1.03 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -77.63 -48.98 15.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.424 -0.798 . . . . 0.0 111.522 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.69 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -51.62 -23.37 4.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.11 -0.994 . . . . 0.0 110.509 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -52.57 -34.03 48.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.951 -1.093 . . . . 0.0 109.83 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.687 HG22 HD23 ' A' ' 52' ' ' LEU . 70.5 mt -53.11 -27.46 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.358 -0.839 . . . . 0.0 109.204 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -50.89 -34.5 28.49 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.57 -0.706 . . . . 0.0 109.524 179.121 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.28 -33.83 72.05 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.813 . . . . 0.0 109.757 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.444 ' O ' HD12 ' A' ' 55' ' ' LEU . 28.9 mt-30 -79.01 -40.35 31.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.286 -0.884 . . . . 0.0 109.95 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.687 HD23 HG22 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -61.2 -42.36 98.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.273 -0.892 . . . . 0.0 110.21 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.13 -41.23 95.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.217 -0.927 . . . . 0.0 110.297 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -42.62 60.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.235 -0.916 . . . . 0.0 110.31 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.2 OUTLIER -67.11 -22.87 65.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.187 -0.945 . . . . 0.0 110.274 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -71.69 -54.42 10.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.28 -0.888 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 3.4 pt-20 -58.48 -22.48 55.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.27 -0.894 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -71.25 -19.89 62.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.249 -0.907 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.543 ' HA ' HD23 ' A' ' 22' ' ' LEU . 24.9 t80 -51.18 -42.15 60.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.241 -0.912 . . . . 0.0 110.464 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.9 -34.4 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.277 -0.89 . . . . 0.0 110.141 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.48 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -65.62 -22.11 66.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.256 -0.903 . . . . 0.0 110.128 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.195 -0.94 . . . . 0.0 110.179 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' B' ' 21' ' ' ALA . 49.7 Cg_endo . . . . . 0 C--O 1.213 -0.753 0 CA-C-O 120.779 0.241 . . . . 0.0 111.546 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' B' ' 19' ' ' PRO . 0.4 OUTLIER 66.29 -62.96 0.26 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.32 -0.863 . . . . 0.0 110.915 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.16 -47.03 23.91 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.121 -0.987 . . . . 0.0 110.407 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.867 HD11 HD11 ' B' ' 26' ' ' ILE . 4.3 tp -77.07 -60.36 2.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.859 . . . . 0.0 109.358 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -46.9 -33.9 4.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.569 -0.707 . . . . 0.0 110.561 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -73.23 -36.14 66.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.006 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -46.77 61.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.089 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.867 HD11 HD11 ' B' ' 22' ' ' LEU . 59.1 mt -56.38 -55.46 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -0.944 . . . . 0.0 110.104 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -55.73 -28.85 58.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.206 -0.934 . . . . 0.0 110.195 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.38 -40.92 42.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.0 110.218 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.567 ' HB2' HD21 ' B' ' 52' ' ' LEU . 87.1 mt -77.38 -42.4 36.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.19 -0.944 . . . . 0.0 110.175 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -37.47 84.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.261 -0.9 . . . . 0.0 110.145 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.9 -25.14 76.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.528 ' HB3' HD13 ' B' ' 48' ' ' ILE . 7.7 tp -71.21 -40.58 71.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.163 -1.198 . . . . 0.0 110.17 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.64 ' HE1' HD23 ' A' ' 40' ' ' LEU . 11.9 mtp -54.1 -49.65 68.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.905 . . . . 0.0 110.236 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 4.1 mtp -51.68 -44.35 63.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -77.99 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.199 -0.938 . . . . 0.0 110.452 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.65 ' ND1' ' HB2' ' B' ' 45' ' ' ALA . 4.5 m170 -54.11 -50.74 66.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.199 -0.938 . . . . 0.0 110.358 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -47.24 -33.28 5.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.375 -0.828 . . . . 0.0 110.18 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.419 ' O ' ' CE ' ' A' ' 34' ' ' MET . 1.8 mt-30 -79.3 -34.2 42.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.222 -0.924 . . . . 0.0 109.493 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.671 ' C ' HD12 ' B' ' 40' ' ' LEU . 54.8 m-20 -94.22 23.41 5.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.395 -0.815 . . . . 0.0 109.732 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.706 ' N ' HD12 ' B' ' 40' ' ' LEU . 5.0 mp 55.85 27.87 11.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.464 -0.773 . . . . 0.0 110.709 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.427 ' HB2' ' HA ' ' B' ' 36' ' ' HIS . 28.9 mm-40 -106.48 18.09 22.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.197 -0.939 . . . . 0.0 109.94 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 1.024 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 4.7 p90 -60.38 -9.11 3.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.461 -0.774 . . . . 0.0 111.896 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -49.7 -67.17 0.28 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.473 -1.392 . . . . 0.0 109.204 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 3.2 pt-20 -81.87 -19.55 40.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.491 -0.756 . . . . 0.0 109.717 178.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 1.024 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -77.76 -49.29 14.69 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.433 -0.792 . . . . 0.0 111.55 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.707 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -51.44 -23.43 3.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 110.41 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.41 -34.08 46.64 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.98 -1.075 . . . . 0.0 109.778 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.705 HG22 HD23 ' B' ' 52' ' ' LEU . 70.4 mt -53.06 -27.46 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.303 -0.873 . . . . 0.0 109.199 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.1 OUTLIER -50.94 -34.56 29.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.475 -0.765 . . . . 0.0 109.47 179.153 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.19 -33.8 72.17 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.791 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.439 ' O ' HD12 ' B' ' 55' ' ' LEU . 28.9 mt-30 -79.02 -40.38 31.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 0.0 109.93 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.705 HD23 HG22 ' B' ' 48' ' ' ILE . 0.8 OUTLIER -61.32 -42.19 98.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.307 -0.87 . . . . 0.0 110.218 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.24 -41.17 94.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.332 -0.855 . . . . 0.0 110.316 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -42.61 60.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.213 -0.93 . . . . 0.0 110.282 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.439 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.2 OUTLIER -67.14 -22.87 65.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.263 -0.898 . . . . 0.0 110.216 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -71.63 -54.47 10.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.187 -0.946 . . . . 0.0 110.207 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 3.4 pt-20 -58.53 -22.48 55.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.223 -0.923 . . . . 0.0 110.25 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' B' ' 61' ' ' ALA . 0.4 OUTLIER -71.23 -19.9 62.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.299 -0.875 . . . . 0.0 110.329 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 59' ' ' PHE . . . . . 0.536 ' HA ' HD23 ' B' ' 22' ' ' LEU . 24.7 t80 -51.09 -42.29 60.53 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.123 -0.986 . . . . 0.0 110.43 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.87 -34.38 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.872 . . . . 0.0 110.168 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.492 ' HB3' HD23 ' B' ' 58' ' ' LEU . . . -65.63 -22.09 66.63 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.313 -0.867 . . . . 0.0 110.133 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.26 -58.87 2.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.257 -0.902 . . . . 0.0 110.228 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.194 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.569 ' HG2' HD13 ' A' ' 22' ' ' LEU . 47.7 Cg_endo . . . . . 0 N--CA 1.48 0.707 0 N-CA-C 111.202 -0.345 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.42 -67.01 0.12 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.406 -0.809 . . . . 0.0 111.563 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.39 -45.01 12.37 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.145 -0.972 . . . . 0.0 111.208 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.695 HD12 ' N ' ' A' ' 22' ' ' LEU . 7.5 mp -80.43 -43.39 21.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.174 -0.954 . . . . 0.0 109.878 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -50.47 -42.5 54.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.594 -0.691 . . . . 0.0 110.656 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -80.05 -43.81 21.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.138 -0.976 . . . . 0.0 110.582 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -63.47 -34.78 78.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.231 -0.918 . . . . 0.0 110.494 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.0 mt -75.22 -51.48 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.964 . . . . 0.0 110.459 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -64.16 -23.57 67.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.167 -0.958 . . . . 0.0 110.423 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -80.1 -59.89 2.54 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.222 -0.924 . . . . 0.0 110.445 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.779 ' HB3' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -54.37 -29.92 50.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 110.479 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -56.52 10.42 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.922 . . . . 0.0 110.363 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.71 -22.18 59.22 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.16 -25.13 47.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.162 -1.199 . . . . 0.0 110.382 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.433 ' CE ' HD23 ' B' ' 40' ' ' LEU . 0.5 OUTLIER -63.01 -43.79 97.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.159 -0.963 . . . . 0.0 110.515 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -31.37 39.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.187 -0.946 . . . . 0.0 110.591 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -77.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.211 -0.931 . . . . 0.0 110.677 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.879 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 20.5 m170 -55.07 -50.56 68.83 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 0.0 110.523 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.26 -37.82 17.12 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.209 -0.932 . . . . 0.0 110.042 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -67.75 -33.32 74.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.0 109.391 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -92.12 19.32 6.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.405 -0.809 . . . . 0.0 109.636 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.557 HD23 ' CE ' ' B' ' 33' ' ' MET . 5.7 mp 55.65 23.59 6.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.59 -46.01 70.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.19 -0.944 . . . . 0.0 108.966 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.703 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 2.4 m-85 48.25 -176.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.692 -0.63 . . . . 0.0 111.162 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 29.8 tt0 66.05 -62.71 0.25 Allowed 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.722 0.772 . . . . 0.0 108.957 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' PHE . 18.1 pt-20 -82.37 -33.04 28.93 Favored 'General case' 0 C--N 1.29 -2.004 0 O-C-N 121.789 -0.569 . . . . 0.0 109.834 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.879 ' HB2' ' HB2' ' A' ' 36' ' ' HIS . . . -80.68 -44.9 18.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.35 -0.844 . . . . 0.0 111.26 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.706 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -74.86 -19.63 60.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.169 -0.957 . . . . 0.0 111.07 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 12.2 mm-40 -77.16 -19.92 56.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.987 -1.071 . . . . 0.0 110.238 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.724 HG23 HD23 ' A' ' 29' ' ' LEU . 70.3 mt -70.59 -28.89 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.161 -0.962 . . . . 0.0 110.426 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -53.32 -27.33 22.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.099 -1.001 . . . . 0.0 109.924 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.41 -39.6 46.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -0.842 . . . . 0.0 109.885 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.659 ' O ' HD12 ' A' ' 55' ' ' LEU . 54.0 mt-30 -73.73 -42.78 60.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.359 -0.838 . . . . 0.0 109.977 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.41 -37.8 88.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.357 -0.839 . . . . 0.0 110.104 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -73.95 -34.57 64.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.278 -0.888 . . . . 0.0 110.141 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -80.45 -31.2 37.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.224 -0.923 . . . . 0.0 110.19 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -58.07 -31.38 67.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.3 -0.875 . . . . 0.0 110.742 -179.584 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -58.45 -22.38 54.36 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.101 -1.0 . . . . 0.0 110.317 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -77.83 -38.26 46.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.261 -0.899 . . . . 0.0 109.972 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 61' ' ' ALA . 1.8 mt -57.02 -19.86 21.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.273 -0.892 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.402 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 46.5 t80 -50.04 -45.21 52.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.169 -0.957 . . . . 0.0 110.412 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mt -74.11 -34.6 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 0.0 110.206 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.421 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -71.58 -21.89 61.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 110.156 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.242 -0.911 . . . . 0.0 110.228 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.58 ' HG2' HD13 ' B' ' 22' ' ' LEU . 48.0 Cg_endo . . . . . 0 C--O 1.214 -0.71 0 CA-C-O 120.988 0.329 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.32 -66.97 0.11 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.424 -0.798 . . . . 0.0 111.593 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.36 -45.01 12.27 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.245 -0.909 . . . . 0.0 111.21 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.677 ' N ' HD12 ' B' ' 22' ' ' LEU . 7.5 mp -80.47 -43.3 21.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.209 -0.932 . . . . 0.0 109.874 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -50.54 -42.45 55.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.51 -0.744 . . . . 0.0 110.676 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -80.15 -43.71 21.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.946 . . . . 0.0 110.571 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -63.36 -34.93 78.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 110.538 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 93.9 mt -75.23 -51.48 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.189 -0.945 . . . . 0.0 110.345 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -64.17 -23.58 67.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.251 -0.905 . . . . 0.0 110.362 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.16 -59.84 2.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.22 -0.925 . . . . 0.0 110.438 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.762 ' HB3' HD23 ' B' ' 52' ' ' LEU . 0.5 OUTLIER -54.29 -30.02 49.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.92 . . . . 0.0 110.437 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -56.59 10.19 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.243 -0.91 . . . . 0.0 110.36 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.74 -22.09 59.17 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.25 -25.11 46.72 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.221 -1.164 . . . . 0.0 110.324 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.557 ' CE ' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.1 -43.73 97.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.263 -0.898 . . . . 0.0 110.527 -179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -31.45 39.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.3 -0.875 . . . . 0.0 110.682 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -77.52 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 110.602 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.858 ' HB2' ' HB2' ' B' ' 45' ' ' ALA . 7.4 m-70 -55.09 -50.44 69.18 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.148 -0.97 . . . . 0.0 110.538 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.3 -37.79 17.28 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.151 -0.968 . . . . 0.0 110.051 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -67.79 -33.29 74.52 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.322 -0.861 . . . . 0.0 109.363 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -92.22 19.41 7.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.438 -0.789 . . . . 0.0 109.616 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.433 HD23 ' CE ' ' A' ' 33' ' ' MET . 5.7 mp 55.64 23.53 6.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.48 -45.99 70.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.172 -0.955 . . . . 0.0 108.938 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.706 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 2.4 m-85 48.17 -176.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.715 -0.616 . . . . 0.0 111.152 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 29.8 tt0 66.09 -62.78 0.25 Allowed 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 121.758 0.789 . . . . 0.0 109.028 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.514 ' CD ' ' CD2' ' B' ' 36' ' ' HIS . 18.0 pt-20 -82.27 -33.03 29.3 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-O 121.355 0.598 . . . . 0.0 109.92 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.858 ' HB2' ' HB2' ' B' ' 36' ' ' HIS . . . -80.75 -44.83 18.01 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.286 -0.883 . . . . 0.0 111.195 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.703 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -74.9 -19.65 60.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.22 -0.925 . . . . 0.0 111.114 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 12.2 mm-40 -77.23 -19.84 56.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.917 -1.114 . . . . 0.0 110.305 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.733 HG23 HD23 ' B' ' 29' ' ' LEU . 70.4 mt -70.62 -28.9 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -0.882 . . . . 0.0 110.421 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.4 OUTLIER -53.22 -27.31 21.35 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.13 -0.981 . . . . 0.0 109.977 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.58 -39.36 45.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.303 -0.873 . . . . 0.0 109.874 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.662 ' O ' HD12 ' B' ' 55' ' ' LEU . 53.9 mt-30 -73.79 -42.78 60.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.978 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' B' ' 29' ' ' LEU . 0.5 OUTLIER -64.42 -37.93 89.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.351 -0.843 . . . . 0.0 110.036 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 0.6 OUTLIER -73.95 -34.45 64.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.292 -0.88 . . . . 0.0 110.153 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -80.48 -31.25 37.35 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 110.222 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.662 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.4 OUTLIER -58.09 -31.33 67.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.866 . . . . 0.0 110.786 -179.553 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' B' ' 53' ' ' HIS . 0.0 OUTLIER -58.5 -22.29 54.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.143 -0.973 . . . . 0.0 110.321 -179.758 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -77.82 -38.28 46.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 109.989 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.406 HD23 ' HB3' ' B' ' 61' ' ' ALA . 1.8 mt -57.02 -19.86 21.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.346 -0.846 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' PHE . . . . . 0.403 ' HA ' ' CD2' ' B' ' 22' ' ' LEU . 46.7 t80 -49.96 -45.32 51.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.213 -0.93 . . . . 0.0 110.414 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mt -74.05 -34.73 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.263 -0.898 . . . . 0.0 110.165 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.406 ' HB3' HD23 ' B' ' 58' ' ' LEU . . . -71.44 -21.97 61.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.279 -0.888 . . . . 0.0 110.176 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.98 -61.83 1.33 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 0.0 110.215 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.169 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.514 ' HG2' HD13 ' A' ' 22' ' ' LEU . 48.7 Cg_endo . . . . . 0 N--CA 1.483 0.872 0 CA-C-O 120.774 0.239 . . . . 0.0 111.661 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 60.27 -72.36 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.363 -0.836 . . . . 0.0 112.339 178.809 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.04 -49.64 11.3 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.089 -1.007 . . . . 0.0 111.311 -178.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.67 HD12 ' N ' ' A' ' 22' ' ' LEU . 8.9 mp -80.56 -37.3 31.65 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.156 -0.965 . . . . 0.0 109.546 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -51.03 -44.53 61.08 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.592 -0.693 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -75.99 -50.8 13.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.303 -0.873 . . . . 0.0 110.32 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -53.57 -36.22 61.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.915 . . . . 0.0 110.286 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.988 HG23 HD11 ' A' ' 52' ' ' LEU . 96.6 mt -78.96 -46.57 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.78 -21.96 65.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.27 -0.894 . . . . 0.0 110.243 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.418 ' OE1' ' CA ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -78.77 -52.52 8.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.285 -0.884 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.554 ' HB2' HD21 ' A' ' 52' ' ' LEU . 8.5 mt -75.36 -35.54 61.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.238 -0.914 . . . . 0.0 110.235 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -67.58 -37.4 82.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.28 -29.67 55.86 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 48' ' ' ILE . 0.9 OUTLIER -62.52 -33.83 75.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.25 -1.147 . . . . 0.0 110.233 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.653 ' CE ' HD23 ' B' ' 40' ' ' LEU . 1.4 mtp -56.21 -30.51 62.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.322 -0.861 . . . . 0.0 110.219 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.64 -32.22 62.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.278 -0.889 . . . . 0.0 110.304 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -76.36 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -0.886 . . . . 0.0 110.363 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.848 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 8.7 m-70 -54.0 -49.01 69.82 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.162 -0.962 . . . . 0.0 110.375 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 33' ' ' MET . . . -48.87 -37.3 19.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.179 -0.951 . . . . 0.0 110.061 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.27 -36.07 82.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.311 -0.868 . . . . 0.0 109.572 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -92.3 20.34 6.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.415 -0.803 . . . . 0.0 109.697 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.53 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.3 mp 55.22 24.65 6.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 110.786 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' CA ' ' OE1' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -66.86 -48.35 69.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.121 -0.987 . . . . 0.0 109.122 178.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.741 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 5.3 m-85 48.93 -176.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.632 -0.668 . . . . 0.0 111.084 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.504 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 31.3 tt0 65.85 -62.37 0.25 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.772 0.796 . . . . 0.0 109.322 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' PHE . 15.6 pt-20 -82.28 -32.26 29.67 Favored 'General case' 0 C--N 1.291 -1.968 0 O-C-N 121.754 -0.591 . . . . 0.0 110.081 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.848 ' HB2' ' HB2' ' A' ' 36' ' ' HIS . . . -80.74 -44.39 18.72 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.268 -0.895 . . . . 0.0 111.21 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.751 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -75.02 -33.99 61.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.113 -0.992 . . . . 0.0 110.935 -179.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.425 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 34.9 mt-30 -54.43 -25.38 24.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.851 -1.156 . . . . 0.0 109.966 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.445 HD11 HD23 ' A' ' 32' ' ' LEU . 62.9 mt -62.81 -26.42 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 110.223 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -53.08 -26.29 15.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.142 -0.974 . . . . 0.0 109.903 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -77.84 -40.49 40.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.366 -0.834 . . . . 0.0 109.807 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.716 ' O ' HD12 ' A' ' 55' ' ' LEU . 75.0 mt-30 -64.72 -37.18 86.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.303 -0.873 . . . . 0.0 109.859 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.988 HD11 HG23 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -69.82 -42.1 74.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.873 . . . . 0.0 110.037 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -54.17 -41.07 68.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.008 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.32 -30.52 38.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 0.0 110.126 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.2 OUTLIER -69.21 -39.23 78.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 110.494 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 3.3 ppt_? -58.84 -22.34 58.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.202 -0.936 . . . . 0.0 110.266 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 33.6 mt-10 -66.05 -39.04 89.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.28 -0.887 . . . . 0.0 109.971 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.558 ' HB3' HD21 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -53.63 -22.72 9.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.344 -0.848 . . . . 0.0 110.193 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.54 -36.45 55.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.932 . . . . 0.0 110.218 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.91 -42.31 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 0.0 110.157 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.32 -21.96 65.64 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.262 -0.899 . . . . 0.0 110.147 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 110.194 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.536 ' HG2' HD13 ' B' ' 22' ' ' LEU . 49.4 Cg_endo . . . . . 0 N--CA 1.483 0.873 0 CA-C-O 120.757 0.232 . . . . 0.0 111.686 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 60.26 -72.38 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.42 -0.8 . . . . 0.0 112.295 178.803 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.06 -49.52 11.49 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.144 -0.972 . . . . 0.0 111.331 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.672 ' N ' HD12 ' B' ' 22' ' ' LEU . 8.9 mp -80.66 -37.34 31.06 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.278 -0.889 . . . . 0.0 109.473 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -51.04 -44.46 61.07 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.469 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -75.99 -50.83 13.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.913 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.435 ' O ' HD12 ' B' ' 29' ' ' LEU . 0.6 OUTLIER -53.52 -36.18 61.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 0.0 110.342 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 1.046 HG23 HD11 ' B' ' 52' ' ' LEU . 96.6 mt -79.11 -46.64 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.196 -0.94 . . . . 0.0 110.176 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -22.07 64.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.268 -0.895 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.416 ' CA ' ' OE1' ' B' ' 28' ' ' GLU . 0.0 OUTLIER -78.76 -52.48 8.31 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.185 -0.947 . . . . 0.0 110.232 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.526 ' HB2' HD21 ' B' ' 52' ' ' LEU . 8.5 mt -75.4 -35.48 61.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.182 -0.949 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -67.65 -37.55 82.58 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.324 -0.86 . . . . 0.0 110.203 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.24 -29.69 55.95 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.435 HD23 HD11 ' B' ' 48' ' ' ILE . 0.9 OUTLIER -62.4 -33.87 75.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -1.13 . . . . 0.0 110.204 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.433 ' CG ' ' HB ' ' B' ' 48' ' ' ILE . 1.4 mtp -56.19 -30.4 62.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 110.314 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.81 -32.21 61.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.236 -0.915 . . . . 0.0 110.27 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -76.4 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.225 -0.922 . . . . 0.0 110.365 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.85 ' HB2' ' HB2' ' B' ' 45' ' ' ALA . 8.7 m-70 -53.97 -49.01 69.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.929 . . . . 0.0 110.366 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' B' ' 33' ' ' MET . . . -48.94 -37.04 18.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.104 -0.997 . . . . 0.0 110.077 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -36.09 82.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 0.0 109.515 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -92.26 20.2 6.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.335 -0.853 . . . . 0.0 109.745 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.653 HD23 ' CE ' ' A' ' 33' ' ' MET . 6.3 mp 55.27 24.62 6.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.407 -0.808 . . . . 0.0 110.786 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.417 ' CA ' ' OE1' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -66.78 -48.53 68.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.209 -0.932 . . . . 0.0 109.073 178.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.751 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 5.1 m-85 49.0 -176.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.603 -0.686 . . . . 0.0 111.185 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 31.3 tt0 65.83 -62.26 0.25 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.678 0.751 . . . . 0.0 109.221 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' B' ' 42' ' ' PHE . 15.6 pt-20 -82.26 -32.23 29.73 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 121.755 -0.59 . . . . 0.0 110.012 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.85 ' HB2' ' HB2' ' B' ' 36' ' ' HIS . . . -80.82 -44.65 18.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.193 -0.942 . . . . 0.0 111.287 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.741 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -74.9 -33.95 62.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.086 -1.009 . . . . 0.0 110.783 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 34.4 mt-30 -54.47 -25.43 25.2 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.843 -1.161 . . . . 0.0 109.953 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.435 HD11 HD23 ' B' ' 32' ' ' LEU . 63.1 mt -62.68 -26.38 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -0.886 . . . . 0.0 110.22 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.2 OUTLIER -53.09 -26.25 15.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.136 -0.978 . . . . 0.0 109.913 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -77.79 -40.67 39.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.396 -0.815 . . . . 0.0 109.819 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.729 ' O ' HD12 ' B' ' 55' ' ' LEU . 74.9 mt-30 -64.59 -37.24 86.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.263 -0.898 . . . . 0.0 109.9 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 1.046 HD11 HG23 ' B' ' 26' ' ' ILE . 0.5 OUTLIER -69.8 -42.12 74.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 0.0 109.998 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.427 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 0.2 OUTLIER -54.19 -40.99 68.08 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.246 -0.909 . . . . 0.0 109.947 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.38 -30.63 37.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.235 -0.916 . . . . 0.0 110.073 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.729 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.2 OUTLIER -69.07 -39.15 79.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.282 -0.886 . . . . 0.0 110.607 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' B' ' 53' ' ' HIS . 3.3 ppt_? -58.91 -22.26 59.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.168 -0.958 . . . . 0.0 110.277 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' B' ' 56' ' ' ARG . 33.6 mt-10 -66.12 -39.09 89.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.268 -0.895 . . . . 0.0 109.931 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.557 ' HB3' HD21 ' B' ' 22' ' ' LEU . 0.4 OUTLIER -53.55 -22.74 8.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.341 -0.849 . . . . 0.0 110.162 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -52.58 -36.42 56.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 0.0 110.244 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.87 -42.36 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.41 -21.87 65.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.361 -0.837 . . . . 0.0 110.142 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.63 -60.06 1.6 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.223 -0.923 . . . . 0.0 110.195 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.232 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' ALA . 46.0 Cg_endo . . . . . 0 C--O 1.214 -0.708 0 CA-C-O 120.917 0.299 . . . . 0.0 111.713 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -68.05 0.1 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.268 -0.895 . . . . 0.0 111.577 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.31 -47.61 18.36 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.177 -0.952 . . . . 0.0 110.891 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.664 HD12 ' N ' ' A' ' 22' ' ' LEU . 8.9 mp -80.54 -41.64 23.8 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.348 -0.845 . . . . 0.0 109.42 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -51.48 -51.99 50.44 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.655 -0.653 . . . . 0.0 110.374 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.3 -53.27 38.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.314 -0.866 . . . . 0.0 110.343 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -39.8 62.98 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.21 -0.931 . . . . 0.0 110.306 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.47 HG23 HD11 ' A' ' 52' ' ' LEU . 95.7 mt -75.15 -54.44 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.161 -0.962 . . . . 0.0 110.214 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -62.95 -29.44 70.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.268 -0.895 . . . . 0.0 110.291 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -77.84 -48.33 16.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.228 -0.92 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.75 HD22 HD12 ' A' ' 48' ' ' ILE . 24.3 mt -63.94 -42.16 97.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.17 -48.29 73.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.273 -0.892 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.17 -25.87 74.34 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.4 -27.96 64.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.266 -1.138 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.8 mtp -58.87 -61.38 2.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -0.927 . . . . 0.0 110.329 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.1 tpp -53.33 -39.89 64.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.221 -0.925 . . . . 0.0 110.158 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -73.88 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.852 . . . . 0.0 110.057 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.812 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 5.1 m-70 -52.62 -46.18 66.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.325 -0.859 . . . . 0.0 110.225 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.61 -43.73 72.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.039 -1.038 . . . . 0.0 109.153 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -59.62 -32.11 70.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.322 -0.861 . . . . 0.0 109.127 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -89.85 15.26 10.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.419 -0.801 . . . . 0.0 109.513 178.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.6 mp 56.7 20.13 4.84 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.47 -0.769 . . . . 0.0 111.246 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' GLU . 1.2 mm-40 -65.33 -51.96 57.08 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.881 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 3.1 m-85 61.71 -57.45 0.11 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 178.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' GLU . 25.5 tt0 -47.88 -59.41 3.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.807 -1.183 . . . . 0.0 109.477 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' A' ' 36' ' ' HIS . 13.0 pt-20 -81.4 -19.44 42.59 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.667 -0.646 . . . . 0.0 110.304 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.812 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -82.04 -51.14 8.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.111 -0.993 . . . . 0.0 112.071 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.868 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -80.23 -20.04 45.53 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.103 -0.998 . . . . 0.0 111.546 -178.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 48' ' ' ILE . 7.2 pt20 -67.67 -26.95 66.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.768 -1.207 . . . . 0.0 109.346 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.75 HD12 HD22 ' A' ' 29' ' ' LEU . 40.7 mm -56.84 -28.92 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.188 -0.945 . . . . 0.0 109.206 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -30.86 47.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.537 -0.727 . . . . 0.0 109.495 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -76.16 -35.73 59.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.882 . . . . 0.0 109.845 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.75 ' O ' HD12 ' A' ' 55' ' ' LEU . 22.4 mt-30 -76.24 -42.57 45.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.0 110.025 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -61.72 -46.65 88.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 110.215 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.3 -40.85 74.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -71.03 -49.89 39.97 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.194 -0.941 . . . . 0.0 110.241 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.75 HD12 ' O ' ' A' ' 51' ' ' GLN . 5.2 mt -55.14 -21.42 13.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.314 -0.867 . . . . 0.0 110.244 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -52.36 56.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 110.267 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.53 -33.75 73.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.92 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 55' ' ' LEU . 38.4 mt -68.97 -23.04 64.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.247 -0.908 . . . . 0.0 110.209 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -58.3 -48.13 81.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.25 -0.906 . . . . 0.0 110.163 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -72.83 -45.47 56.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.947 . . . . 0.0 110.217 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.49 -27.42 25.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.286 -0.884 . . . . 0.0 110.218 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' B' ' 21' ' ' ALA . 46.5 Cg_endo . . . . . 0 C--O 1.214 -0.701 0 CA-C-O 120.865 0.277 . . . . 0.0 111.671 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.88 -68.02 0.09 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.319 -0.863 . . . . 0.0 111.646 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.3 -47.66 18.31 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.122 -0.986 . . . . 0.0 110.913 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.667 ' N ' HD12 ' B' ' 22' ' ' LEU . 8.9 mp -80.49 -41.62 24.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.253 -0.904 . . . . 0.0 109.399 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -51.4 -52.11 48.85 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.665 -0.647 . . . . 0.0 110.448 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.18 -53.31 38.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.332 -0.855 . . . . 0.0 110.385 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -39.76 63.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.24 -0.913 . . . . 0.0 110.328 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.468 HG23 HD11 ' B' ' 52' ' ' LEU . 95.5 mt -75.08 -54.44 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.159 -0.963 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -63.01 -29.33 70.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.226 -0.922 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -77.97 -48.33 16.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.221 -0.924 . . . . 0.0 110.239 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.74 HD22 HD12 ' B' ' 48' ' ' ILE . 24.5 mt -63.85 -42.18 97.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.234 -0.916 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.29 -48.26 74.34 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.202 -0.936 . . . . 0.0 110.261 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.11 -25.82 74.31 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -70.58 -28.04 64.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.189 -1.183 . . . . 0.0 110.205 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.427 ' CE ' HD23 ' A' ' 40' ' ' LEU . 1.8 mtp -58.83 -61.33 2.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 0.0 110.366 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 34.4 tpp -53.3 -39.89 64.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.167 -0.958 . . . . 0.0 110.193 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -53.06 -73.9 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.312 -0.868 . . . . 0.0 110.081 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.81 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 5.1 m-70 -52.58 -46.19 66.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.204 -0.935 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.81 72.81 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.122 -0.986 . . . . 0.0 109.203 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' B' ' 35' ' ' GLN . 2.0 mt-30 -59.4 -32.17 69.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.363 -0.835 . . . . 0.0 109.1 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -89.79 15.2 10.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.49 -0.756 . . . . 0.0 109.513 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.543 ' N ' HD12 ' B' ' 40' ' ' LEU . 6.5 mp 56.58 20.27 4.82 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.501 -0.749 . . . . 0.0 111.272 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 43' ' ' GLU . 1.2 mm-40 -65.42 -51.81 57.67 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.868 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 3.0 m-85 61.69 -57.47 0.11 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 178.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 41' ' ' GLU . 25.4 tt0 -47.88 -59.56 3.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.753 -1.217 . . . . 0.0 109.507 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.474 ' HG3' ' CD2' ' B' ' 36' ' ' HIS . 13.0 pt-20 -81.38 -19.27 43.0 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.657 -0.652 . . . . 0.0 110.333 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.81 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -82.2 -50.96 8.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.071 -1.018 . . . . 0.0 111.938 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.881 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -80.34 -20.01 45.17 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.209 -0.932 . . . . 0.0 111.558 -178.085 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' B' ' 48' ' ' ILE . 7.2 pt20 -67.67 -26.86 66.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.863 -1.148 . . . . 0.0 109.344 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.74 HD12 HD22 ' B' ' 29' ' ' LEU . 40.8 mm -56.95 -28.91 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.227 -0.921 . . . . 0.0 109.173 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -30.82 47.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.557 -0.715 . . . . 0.0 109.568 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -76.26 -35.61 58.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 109.831 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.759 ' O ' HD12 ' B' ' 55' ' ' LEU . 22.3 mt-30 -76.23 -42.64 45.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.898 . . . . 0.0 110.057 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.496 HD23 ' HB3' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -61.73 -46.62 88.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 110.163 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -40.9 75.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.322 -0.861 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -70.9 -50.0 39.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.759 HD12 ' O ' ' B' ' 51' ' ' GLN . 5.2 mt -55.11 -21.37 12.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.229 -0.92 . . . . 0.0 110.321 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -52.26 57.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 110.334 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.51 -34.05 73.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.249 -0.907 . . . . 0.0 110.169 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' B' ' 55' ' ' LEU . 38.7 mt -68.83 -23.04 64.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.301 -0.875 . . . . 0.0 110.228 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.24 -48.06 81.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 110.296 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -72.87 -45.36 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 0.0 110.217 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.63 -27.46 27.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.257 -0.902 . . . . 0.0 110.217 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.06 -61.29 1.61 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.922 . . . . 0.0 110.198 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.172 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.444 ' HG2' HD13 ' A' ' 22' ' ' LEU . 46.4 Cg_endo . . . . . 0 C--O 1.214 -0.675 0 CA-C-O 120.885 0.286 . . . . 0.0 111.662 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? 63.86 -68.0 0.09 Allowed 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.323 -0.861 . . . . 0.0 111.576 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.16 -46.62 17.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.208 -0.932 . . . . 0.0 110.998 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.661 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.1 mp -80.47 -42.85 21.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.267 -0.896 . . . . 0.0 109.426 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -51.97 -44.82 64.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.682 -0.636 . . . . 0.0 110.295 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -46.97 61.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.194 -0.941 . . . . 0.0 110.188 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -60.69 -49.25 78.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 81.7 mt -54.4 -56.77 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 0.0 110.148 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.88 -19.93 65.82 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.229 -0.92 . . . . 0.0 110.325 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.61 -47.57 16.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -0.934 . . . . 0.0 110.224 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 mt -52.84 -37.26 59.94 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 110.235 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -45.12 83.67 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.295 -0.878 . . . . 0.0 110.18 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.96 -32.42 82.03 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -78.04 -23.18 48.26 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.251 -1.147 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.582 ' HE3' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -61.87 -58.86 6.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.283 -0.885 . . . . 0.0 110.395 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.4 ttm -63.06 -31.93 73.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.227 -0.92 . . . . 0.0 110.308 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -76.3 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.93 . . . . 0.0 110.298 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.785 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 23.3 m-70 -52.48 -50.86 61.88 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.19 -0.944 . . . . 0.0 110.41 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.76 -43.91 38.2 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.169 -0.957 . . . . 0.0 110.064 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -58.9 -33.42 70.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 0.0 109.266 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -91.6 17.13 9.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.379 -0.826 . . . . 0.0 109.623 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.402 HD23 ' CE ' ' B' ' 33' ' ' MET . 5.6 mp 55.9 25.41 8.58 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.41 -0.806 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -69.57 -45.86 67.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.113 -0.992 . . . . 0.0 109.021 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.641 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 7.4 m-85 48.93 -177.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.665 -0.647 . . . . 0.0 111.274 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 30.1 tt0 66.18 -63.25 0.24 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.774 0.797 . . . . 0.0 109.033 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.47 ' OE1' ' CD2' ' A' ' 36' ' ' HIS . 11.6 pt-20 -82.62 -31.45 28.85 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-O 121.369 0.604 . . . . 0.0 109.708 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.785 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -80.96 -46.26 15.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.424 -0.798 . . . . 0.0 111.135 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.642 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -74.38 -19.55 60.39 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.272 -0.892 . . . . 0.0 110.977 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 14.9 mm-40 -72.91 -19.81 61.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.959 -1.088 . . . . 0.0 110.212 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.475 HD13 ' OE1' ' A' ' 51' ' ' GLN . 50.5 mm -70.36 -29.49 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.118 -0.989 . . . . 0.0 110.69 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.582 ' HA ' ' HE3' ' A' ' 33' ' ' MET . 0.7 OUTLIER -52.88 -27.48 18.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.028 -1.045 . . . . 0.0 110.107 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.03 -36.41 41.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.371 -0.831 . . . . 0.0 109.785 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.475 ' OE1' HD13 ' A' ' 48' ' ' ILE . 29.6 mt-30 -68.41 -33.99 75.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.885 . . . . 0.0 110.021 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 52' ' ' LEU . 2.7 mt -54.03 -52.02 62.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.874 . . . . 0.0 110.011 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -70.49 -38.35 74.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.355 -0.84 . . . . 0.0 110.121 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.94 -43.66 98.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.107 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 51' ' ' GLN . 2.0 mp -71.13 -23.97 62.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.247 -0.908 . . . . 0.0 110.147 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -59.47 -53.53 57.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.255 -0.903 . . . . 0.0 110.145 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.6 pt-20 -62.67 -23.37 67.08 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 0.0 110.147 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.473 HD23 HD21 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -70.95 -22.15 62.25 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.208 -0.933 . . . . 0.0 110.145 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -53.31 -47.0 69.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 0.0 110.183 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.5 mt -66.45 -48.79 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.911 . . . . 0.0 110.152 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.34 -24.46 29.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 110.091 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.274 -0.891 . . . . 0.0 110.202 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.45 ' HG2' HD13 ' B' ' 22' ' ' LEU . 45.7 Cg_endo . . . . . 0 C--O 1.214 -0.7 0 CA-C-O 120.98 0.325 . . . . 0.0 111.628 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? 63.89 -68.17 0.09 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.325 -0.859 . . . . 0.0 111.625 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.99 -46.76 16.6 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.141 -0.974 . . . . 0.0 111.002 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.658 ' N ' HD12 ' B' ' 22' ' ' LEU . 9.2 mp -80.5 -42.75 21.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -0.911 . . . . 0.0 109.415 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -52.01 -44.84 64.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.654 -0.654 . . . . 0.0 110.345 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -47.12 61.32 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.923 . . . . 0.0 110.246 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -60.53 -49.33 77.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.219 -0.926 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 81.9 mt -54.4 -56.77 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.135 -0.978 . . . . 0.0 110.152 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.87 -19.94 65.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.207 -0.933 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.59 -47.5 17.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.275 -0.891 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mt -52.9 -37.22 60.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.227 -0.92 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -45.15 83.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.309 -0.87 . . . . 0.0 110.193 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.5 82.27 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -77.98 -23.1 48.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -1.125 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.57 ' HE3' ' HA ' ' B' ' 49' ' ' ARG . 0.0 OUTLIER -61.91 -58.88 6.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.321 -0.862 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.5 ttm -63.09 -31.87 73.12 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.245 -0.909 . . . . 0.0 110.307 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -76.33 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.264 -0.897 . . . . 0.0 110.315 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.797 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 23.4 m-70 -52.39 -50.98 61.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 110.388 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.75 -43.78 37.93 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.197 -0.939 . . . . 0.0 110.11 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -58.97 -33.44 70.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.256 -0.902 . . . . 0.0 109.216 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -91.61 17.22 9.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.438 -0.789 . . . . 0.0 109.596 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mp 55.82 25.46 8.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.513 -0.742 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -69.51 -45.97 67.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.188 -0.945 . . . . 0.0 109.003 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.642 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 7.3 m-85 49.01 -177.57 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.676 -0.64 . . . . 0.0 111.282 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 30.1 tt0 66.15 -63.23 0.24 Allowed 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 121.815 0.817 . . . . 0.0 108.995 -178.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.473 ' OE1' ' CD2' ' B' ' 36' ' ' HIS . 11.6 pt-20 -82.69 -31.45 28.6 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.419 0.628 . . . . 0.0 109.677 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.797 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.89 -46.28 15.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.3 -0.875 . . . . 0.0 111.11 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.641 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -74.43 -19.53 60.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.136 -0.978 . . . . 0.0 110.981 -178.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 14.8 mm-40 -72.98 -19.71 61.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.956 -1.09 . . . . 0.0 110.202 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.493 HD13 ' OE1' ' B' ' 51' ' ' GLN . 50.6 mm -70.38 -29.52 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.155 -0.966 . . . . 0.0 110.601 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.57 ' HA ' ' HE3' ' B' ' 33' ' ' MET . 0.7 OUTLIER -52.81 -27.55 18.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.039 -1.038 . . . . 0.0 110.149 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.0 -36.43 41.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.307 -0.871 . . . . 0.0 109.808 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.493 ' OE1' HD13 ' B' ' 48' ' ' ILE . 29.9 mt-30 -68.4 -34.01 75.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.323 -0.861 . . . . 0.0 109.984 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' ' 52' ' ' LEU . 2.7 mt -54.05 -51.94 62.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.294 -0.879 . . . . 0.0 109.976 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -70.53 -38.5 74.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.26 -0.9 . . . . 0.0 109.976 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.81 -43.81 97.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.251 -0.905 . . . . 0.0 110.095 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.419 ' CD1' ' O ' ' B' ' 51' ' ' GLN . 2.0 mp -71.07 -24.09 62.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.309 -0.869 . . . . 0.0 110.102 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -59.37 -53.6 56.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.316 -0.865 . . . . 0.0 110.158 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.5 pt-20 -62.67 -23.32 67.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.347 -0.846 . . . . 0.0 110.161 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.47 HD23 HD21 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -70.94 -22.17 62.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.317 -0.865 . . . . 0.0 110.187 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -53.21 -47.06 69.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.249 -0.907 . . . . 0.0 110.116 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 10.4 mt -66.49 -48.89 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.263 -0.898 . . . . 0.0 110.143 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.12 -24.6 26.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.913 . . . . 0.0 110.157 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.34 -71.02 0.67 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.227 -0.921 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.239 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.528 ' HB3' HD22 ' A' ' 22' ' ' LEU . 40.4 Cg_endo . . . . . 0 N--CA 1.482 0.843 0 CA-C-O 120.952 0.313 . . . . 0.0 111.646 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 68.94 -66.54 0.24 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.386 -0.821 . . . . 0.0 108.983 -178.694 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CD ' ' A' ' 25' ' ' LYS . . . -57.18 -28.21 62.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.117 -0.989 . . . . 0.0 108.82 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 22' ' ' LEU . 8.2 mp -77.79 -48.87 15.53 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -50.01 -55.82 13.16 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.497 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -45.31 93.82 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.359 -0.838 . . . . 0.0 110.416 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 21' ' ' ALA . 3.4 mttp -62.28 -52.97 61.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.119 -0.988 . . . . 0.0 110.365 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.1 mt -53.0 -50.7 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 110.238 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.46 -19.87 63.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.278 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.16 -39.18 55.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 110.242 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' O ' HG21 ' A' ' 48' ' ' ILE . 18.3 mt -78.82 -40.91 31.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -0.909 . . . . 0.0 110.151 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.802 ' HB2' HD11 ' A' ' 52' ' ' LEU . 20.4 tt0 -53.3 -42.44 66.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.176 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.18 -21.06 65.9 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 32' ' ' LEU . 29.1 tp -56.43 -55.99 26.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -1.206 . . . . 0.0 110.406 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.658 ' HA ' ' HB1' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -79.52 -19.83 48.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.068 -1.02 . . . . 0.0 110.205 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.478 ' SD ' ' NE2' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -59.89 -53.93 52.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.125 -0.984 . . . . 0.0 109.963 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 36' ' ' HIS . 6.2 pt20 -54.35 -24.95 21.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.17 -0.956 . . . . 0.0 109.65 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.49 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 2.7 m170 -80.19 -55.42 4.93 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.433 -0.792 . . . . 0.0 109.83 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.064 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -49.91 -35.86 25.35 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.207 -0.933 . . . . 0.0 109.546 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.478 ' NE2' ' SD ' ' A' ' 34' ' ' MET . 34.6 mt-30 -71.26 -36.88 71.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.404 -0.81 . . . . 0.0 109.211 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -95.46 25.66 4.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.463 -0.773 . . . . 0.0 109.68 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp 56.1 44.97 24.39 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.6 -0.687 . . . . 0.0 110.762 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.444 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 4.3 mm-40 -128.11 18.02 6.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 0.0 109.954 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.01 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 7.3 p90 -60.42 -9.6 3.8 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.454 -0.779 . . . . 0.0 111.724 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -49.52 -68.08 0.21 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.553 -1.342 . . . . 0.0 109.305 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 4.0 pt-20 -81.34 -19.35 42.99 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.576 -0.702 . . . . 0.0 109.624 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 1.01 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -77.57 -54.34 6.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.325 -0.859 . . . . 0.0 111.33 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.679 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -44.53 -29.99 0.81 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.352 -0.842 . . . . 0.0 111.117 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -55.74 -32.94 63.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.034 -1.042 . . . . 0.0 109.704 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.02 HG22 HD23 ' A' ' 52' ' ' LEU . 35.6 mm -51.26 -33.21 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.318 -0.864 . . . . 0.0 109.725 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -29.68 4.51 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.507 -0.745 . . . . 0.0 109.525 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.17 -40.2 78.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.428 -0.795 . . . . 0.0 109.235 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.588 ' O ' HD12 ' A' ' 55' ' ' LEU . 28.3 mt-30 -80.22 -30.83 38.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.437 -0.789 . . . . 0.0 109.685 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.02 HD23 HG22 ' A' ' 48' ' ' ILE . 1.2 mm? -65.41 -40.5 93.48 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.456 -0.777 . . . . 0.0 110.152 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -74.53 -39.55 62.29 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.925 . . . . 0.0 110.158 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -64.66 -51.97 59.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.225 -0.922 . . . . 0.0 110.259 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -62.46 -32.23 73.08 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.843 . . . . 0.0 110.153 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.07 -47.3 86.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.233 -0.917 . . . . 0.0 110.186 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.22 -32.8 49.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.274 -0.891 . . . . 0.0 110.197 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.72 -32.73 60.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.156 -0.965 . . . . 0.0 110.176 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.93 -44.8 74.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.237 -0.914 . . . . 0.0 110.151 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.38 -41.26 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.305 -0.872 . . . . 0.0 110.117 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.71 -21.44 64.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.237 -0.914 . . . . 0.0 110.246 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.228 -0.92 . . . . 0.0 110.141 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.542 ' HB3' HD22 ' B' ' 22' ' ' LEU . 40.1 Cg_endo . . . . . 0 N--CA 1.482 0.812 0 CA-C-O 120.899 0.291 . . . . 0.0 111.663 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 68.88 -66.47 0.25 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.319 -0.863 . . . . 0.0 109.015 -178.676 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.417 ' O ' ' CD ' ' B' ' 25' ' ' LYS . . . -57.28 -28.08 62.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.165 -0.959 . . . . 0.0 108.806 178.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.665 ' N ' HD12 ' B' ' 22' ' ' LEU . 8.3 mp -77.77 -48.99 15.28 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -49.9 -55.82 12.91 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.552 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.31 93.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.871 . . . . 0.0 110.445 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' B' ' 21' ' ' ALA . 3.4 mttp -62.35 -53.03 61.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.264 -0.898 . . . . 0.0 110.366 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.2 mt -52.88 -50.76 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.133 -0.979 . . . . 0.0 110.209 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.37 -19.96 63.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.349 -0.845 . . . . 0.0 110.268 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.13 -39.06 55.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.218 -0.926 . . . . 0.0 110.34 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.518 ' O ' HG21 ' B' ' 48' ' ' ILE . 18.2 mt -78.9 -40.91 30.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.197 -0.939 . . . . 0.0 110.103 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.824 ' HB2' HD11 ' B' ' 52' ' ' LEU . 20.5 tt0 -53.38 -42.32 66.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.855 . . . . 0.0 110.201 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.17 -21.19 65.64 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 29.2 tp -56.41 -56.09 25.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.204 -1.174 . . . . 0.0 110.369 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.657 ' HA ' ' HB1' ' B' ' 45' ' ' ALA . 0.3 OUTLIER -79.37 -19.92 48.99 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.122 -0.986 . . . . 0.0 110.253 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 34' ' ' MET . . . . . 0.465 ' SD ' ' NE2' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -59.84 -53.99 51.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.165 -0.959 . . . . 0.0 109.987 179.715 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' B' ' 36' ' ' HIS . 6.2 pt20 -54.26 -25.06 21.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -0.999 . . . . 0.0 109.567 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.501 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 2.7 m170 -80.24 -55.37 4.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.474 -0.766 . . . . 0.0 109.777 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 1.064 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -49.83 -35.96 24.9 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.566 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.465 ' NE2' ' SD ' ' B' ' 34' ' ' MET . 34.6 mt-30 -71.32 -36.7 71.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.424 -0.797 . . . . 0.0 109.252 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -95.47 25.54 4.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.495 -0.753 . . . . 0.0 109.667 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mp 56.06 44.99 24.46 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.572 -0.705 . . . . 0.0 110.749 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.447 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 4.3 mm-40 -128.07 18.13 6.61 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.317 -0.865 . . . . 0.0 109.954 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 1.0 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 7.3 p90 -60.39 -9.58 3.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.437 -0.789 . . . . 0.0 111.779 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -49.59 -68.1 0.2 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.56 -1.338 . . . . 0.0 109.298 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 4.0 pt-20 -81.28 -19.36 43.15 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.523 -0.736 . . . . 0.0 109.634 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 1.0 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -77.61 -54.3 6.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.386 -0.821 . . . . 0.0 111.209 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.677 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -44.65 -29.94 0.84 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.39 -0.819 . . . . 0.0 111.063 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -55.77 -32.9 63.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.035 -1.04 . . . . 0.0 109.738 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.964 HG22 HD23 ' B' ' 52' ' ' LEU . 35.4 mm -51.3 -33.18 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.228 -0.92 . . . . 0.0 109.707 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.63 -29.61 4.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.484 -0.76 . . . . 0.0 109.483 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.11 -40.25 78.46 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.379 -0.826 . . . . 0.0 109.213 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.582 ' O ' HD12 ' B' ' 55' ' ' LEU . 28.4 mt-30 -80.36 -30.71 37.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.451 -0.78 . . . . 0.0 109.68 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.964 HD23 HG22 ' B' ' 48' ' ' ILE . 1.2 mm? -65.37 -40.54 93.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.422 -0.799 . . . . 0.0 110.181 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -74.56 -39.45 62.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 110.162 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.95 -51.83 59.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.889 . . . . 0.0 110.15 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.582 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.3 OUTLIER -62.49 -32.22 73.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.173 -0.954 . . . . 0.0 110.146 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.15 -47.31 86.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.3 -0.875 . . . . 0.0 110.12 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.06 -32.97 49.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.234 -0.916 . . . . 0.0 110.245 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.49 -32.88 60.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.888 . . . . 0.0 110.185 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.9 -44.82 74.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.908 . . . . 0.0 110.194 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.3 -41.3 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.202 -0.936 . . . . 0.0 110.114 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.7 -21.56 64.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.0 110.26 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.87 -58.74 1.83 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.929 . . . . 0.0 110.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.228 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.461 ' HG2' ' HB3' ' A' ' 22' ' ' LEU . 45.8 Cg_endo . . . . . 0 N--CA 1.487 1.126 0 CA-C-O 121.174 0.406 . . . . 0.0 111.326 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 24' ' ' GLN . 0.1 OUTLIER 64.42 -69.58 0.09 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.455 -0.778 . . . . 0.0 110.889 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.18 -52.73 14.9 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.1 -1.0 . . . . 0.0 110.29 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.69 HD23 ' C ' ' A' ' 22' ' ' LEU . 5.3 tt -67.56 -68.6 0.37 Allowed 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.52 -0.737 . . . . 0.0 109.071 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -44.13 -29.61 0.64 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.712 -0.617 . . . . 0.0 111.049 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 14.1 tm0? -80.2 -31.7 38.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.1 -1.0 . . . . 0.0 110.075 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -72.97 -49.67 27.77 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.338 -0.851 . . . . 0.0 110.21 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.597 ' CD1' HD21 ' A' ' 22' ' ' LEU . 73.6 mt -60.08 -45.65 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -58.88 -23.02 60.49 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.304 -0.872 . . . . 0.0 110.38 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.11 -34.13 38.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.173 -0.955 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.3 mt -78.57 -38.85 39.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 0.0 110.204 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.74 -45.14 78.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 0.0 110.195 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.28 -28.28 72.82 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.546 ' HB3' HD13 ' A' ' 48' ' ' ILE . 4.4 tp -58.33 -41.99 85.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.201 -1.176 . . . . 0.0 110.166 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.817 ' HE1' HD23 ' B' ' 40' ' ' LEU . 7.7 mtp -56.49 -42.87 79.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.233 -0.917 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.422 ' CE ' ' O ' ' B' ' 38' ' ' GLN . 0.3 OUTLIER -51.16 -37.37 45.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.274 -0.891 . . . . 0.0 110.648 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -78.15 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.923 . . . . 0.0 110.612 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.65 ' ND1' ' HB2' ' A' ' 45' ' ' ALA . 5.0 m170 -54.71 -52.5 62.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.316 -0.865 . . . . 0.0 110.91 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.49 -30.67 2.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.232 -0.918 . . . . 0.0 110.254 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.466 ' O ' ' HE1' ' B' ' 34' ' ' MET . 18.5 mt-30 -80.03 -34.49 38.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.345 -0.847 . . . . 0.0 109.426 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -95.52 25.09 4.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.37 -0.831 . . . . 0.0 109.61 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.805 HD23 ' HE1' ' B' ' 33' ' ' MET . 5.0 mp 54.34 29.0 10.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.571 -0.706 . . . . 0.0 110.583 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . 15.0 mt-10 -107.18 18.48 21.64 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.142 -0.974 . . . . 0.0 109.952 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.026 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.9 p90 -61.25 -8.23 3.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.464 -0.772 . . . . 0.0 112.024 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -49.28 -67.86 0.23 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.497 -1.377 . . . . 0.0 109.357 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 4.6 pt-20 -81.72 -19.33 41.69 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.523 -0.736 . . . . 0.0 109.661 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 1.026 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -77.52 -51.09 11.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.435 -0.79 . . . . 0.0 111.602 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.711 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -50.56 -24.21 3.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.975 -1.078 . . . . 0.0 110.399 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -53.02 -31.78 43.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.978 -1.076 . . . . 0.0 109.544 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.546 HD13 ' HB3' ' A' ' 32' ' ' LEU . 67.2 mt -53.95 -27.76 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.318 -0.864 . . . . 0.0 108.926 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -51.52 -34.79 37.76 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.583 -0.698 . . . . 0.0 109.21 178.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.61 -35.69 80.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.385 -0.822 . . . . 0.0 109.322 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.848 ' O ' HD12 ' A' ' 55' ' ' LEU . 27.6 mt-30 -76.3 -38.13 56.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 109.593 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.414 HD13 HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -67.49 -43.48 80.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.397 -0.814 . . . . 0.0 109.933 179.647 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -71.87 -40.22 69.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.56 -44.59 74.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.27 -0.894 . . . . 0.0 110.089 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 51' ' ' GLN . 2.4 mt -59.94 -23.64 63.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.249 -0.907 . . . . 0.0 110.1 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -53.25 -47.94 68.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.134 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -62.89 -44.64 95.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 110.022 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.52 -22.15 42.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.312 -0.867 . . . . 0.0 110.218 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.419 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . 8.5 t80 -53.19 -45.32 68.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.0 110.176 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 84.1 mt -76.53 -35.68 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.249 -0.907 . . . . 0.0 110.14 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.16 65.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.929 . . . . 0.0 110.069 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.349 -0.844 . . . . 0.0 110.161 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.447 ' HG2' ' HB3' ' B' ' 22' ' ' LEU . 45.0 Cg_endo . . . . . 0 N--CA 1.486 1.076 0 CA-C-O 121.196 0.415 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' B' ' 24' ' ' GLN . 0.1 OUTLIER 64.4 -69.63 0.09 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.418 -0.801 . . . . 0.0 110.939 179.715 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.18 -52.7 14.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.122 -0.986 . . . . 0.0 110.29 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.682 HD23 ' C ' ' B' ' 22' ' ' LEU . 5.3 tt -67.53 -68.65 0.37 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.499 -0.751 . . . . 0.0 109.09 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -43.97 -29.76 0.62 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.712 -0.618 . . . . 0.0 111.057 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' B' ' 20' ' ' LYS . 14.2 tm0? -80.17 -31.74 38.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -0.999 . . . . 0.0 110.107 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -73.02 -49.53 28.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 110.187 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.59 ' CD1' HD21 ' B' ' 22' ' ' LEU . 73.8 mt -60.06 -45.7 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.911 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -58.89 -23.01 60.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.254 -0.904 . . . . 0.0 110.366 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.06 -34.16 38.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.189 -0.944 . . . . 0.0 110.296 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 17.2 mt -78.6 -38.87 38.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 0.0 110.139 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.78 -45.16 78.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 0.0 110.207 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.14 -28.35 72.92 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.531 ' HB3' HD13 ' B' ' 48' ' ' ILE . 4.4 tp -58.36 -41.98 85.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.308 -1.113 . . . . 0.0 110.184 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.805 ' HE1' HD23 ' A' ' 40' ' ' LEU . 7.7 mtp -56.38 -42.94 78.68 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.158 -0.963 . . . . 0.0 110.293 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' MET . . . . . 0.466 ' HE1' ' O ' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -51.12 -37.44 45.99 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.272 -0.893 . . . . 0.0 110.638 -179.684 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -78.06 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.164 -0.96 . . . . 0.0 110.64 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.663 ' ND1' ' HB2' ' B' ' 45' ' ' ALA . 5.0 m170 -54.75 -52.5 62.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.326 -0.859 . . . . 0.0 110.936 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.52 -30.71 2.36 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.301 -0.875 . . . . 0.0 110.341 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.422 ' O ' ' CE ' ' A' ' 34' ' ' MET . 18.6 mt-30 -79.78 -34.85 39.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.374 -0.829 . . . . 0.0 109.451 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -95.29 25.04 4.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.359 -0.838 . . . . 0.0 109.528 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.817 HD23 ' HE1' ' A' ' 33' ' ' MET . 5.0 mp 54.43 28.95 10.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.483 -0.761 . . . . 0.0 110.631 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.4 ' HB2' ' HA ' ' B' ' 36' ' ' HIS . 15.1 mt-10 -107.17 18.44 21.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.232 -0.918 . . . . 0.0 109.9 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 1.013 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 6.1 p90 -61.21 -8.22 3.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.367 -0.833 . . . . 0.0 111.982 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -49.29 -67.95 0.22 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.444 -1.41 . . . . 0.0 109.322 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -81.66 -19.33 41.91 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.445 -0.784 . . . . 0.0 109.69 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 1.013 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -77.56 -51.1 11.23 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.373 -0.83 . . . . 0.0 111.52 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.711 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -50.55 -24.22 3.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.099 -1.0 . . . . 0.0 110.434 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -52.95 -31.88 42.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.068 -1.02 . . . . 0.0 109.592 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' B' ' 32' ' ' LEU . 66.8 mt -53.85 -27.71 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.369 -0.832 . . . . 0.0 109.055 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -51.65 -34.69 39.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.503 -0.748 . . . . 0.0 109.156 178.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.67 -35.63 80.6 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.378 -0.826 . . . . 0.0 109.343 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.848 ' O ' HD12 ' B' ' 55' ' ' LEU . 27.6 mt-30 -76.2 -38.28 56.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.442 -0.786 . . . . 0.0 109.583 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.415 HD13 HG23 ' B' ' 26' ' ' ILE . 0.2 OUTLIER -67.49 -43.45 80.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 0.0 110.007 179.66 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -71.73 -40.33 69.49 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.384 -0.822 . . . . 0.0 110.102 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.51 -44.74 74.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.948 . . . . 0.0 109.975 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.848 HD12 ' O ' ' B' ' 51' ' ' GLN . 2.4 mt -59.84 -23.74 63.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.248 -0.907 . . . . 0.0 110.12 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -53.17 -47.85 68.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.284 -0.885 . . . . 0.0 110.141 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -63.12 -44.46 95.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.228 -0.92 . . . . 0.0 109.944 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -22.17 43.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.356 -0.84 . . . . 0.0 110.149 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' PHE . . . . . 0.421 ' HA ' ' CD1' ' B' ' 22' ' ' LEU . 8.5 t80 -53.24 -45.25 68.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.344 -0.848 . . . . 0.0 110.198 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 84.1 mt -76.61 -35.62 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.183 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.63 -24.35 65.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.224 -0.923 . . . . 0.0 110.131 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.47 -73.66 0.47 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.283 -0.886 . . . . 0.0 110.223 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.164 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HG2' HD13 ' A' ' 22' ' ' LEU . 46.8 Cg_endo . . . . . 0 C--O 1.214 -0.71 0 CA-C-O 120.934 0.306 . . . . 0.0 111.667 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? 64.39 -67.69 0.11 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.284 -0.885 . . . . 0.0 111.512 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.25 -47.09 18.13 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.113 -0.992 . . . . 0.0 110.914 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.3 mp -80.5 -41.32 24.5 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.891 . . . . 0.0 109.316 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -51.72 -45.47 63.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.715 -0.615 . . . . 0.0 110.318 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -73.94 -47.2 39.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.221 -0.925 . . . . 0.0 110.227 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -58.25 -44.28 88.24 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.246 -0.909 . . . . 0.0 110.243 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.442 HG23 ' CD1' ' A' ' 52' ' ' LEU . 76.3 mt -63.77 -54.34 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.174 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -25.35 64.07 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.294 -0.879 . . . . 0.0 110.221 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -79.98 -50.06 10.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.24 -0.913 . . . . 0.0 110.214 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.812 ' HB3' HD23 ' A' ' 52' ' ' LEU . 4.8 mp -63.36 -34.82 78.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 0.0 110.217 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.11 -40.37 85.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -0.885 . . . . 0.0 110.201 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.45 -30.32 53.95 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 tp -64.81 -28.97 69.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.223 -1.163 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.408 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.14 -60.28 3.83 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.239 -0.913 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.5 mtp -58.23 -31.34 67.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.308 -0.87 . . . . 0.0 110.423 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.93 -76.06 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.316 -0.865 . . . . 0.0 110.424 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.82 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 30.0 m-70 -56.42 -48.64 76.57 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.163 -0.961 . . . . 0.0 110.324 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.24 -39.77 31.51 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.177 -0.952 . . . . 0.0 109.9 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -64.03 -33.63 76.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 0.0 109.34 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -91.57 17.55 8.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.403 -0.811 . . . . 0.0 109.663 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mp 55.91 24.26 7.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.462 -0.774 . . . . 0.0 110.963 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -44.5 73.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.125 -0.984 . . . . 0.0 108.89 178.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.648 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 4.5 m-85 48.86 -177.58 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.721 -0.612 . . . . 0.0 111.328 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 36.3 tt0 65.87 -63.41 0.22 Allowed 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.793 0.806 . . . . 0.0 109.043 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' PHE . 14.7 pt-20 -82.58 -30.63 29.47 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 121.374 0.607 . . . . 0.0 109.727 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.82 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -81.01 -46.65 14.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 111.146 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.663 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -74.88 -19.42 60.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.166 -0.959 . . . . 0.0 111.001 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 28.3 mt-30 -72.18 -38.32 69.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.962 -1.086 . . . . 0.0 110.012 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 48' ' ' ILE . 35.6 mm -50.1 -28.49 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.155 -0.965 . . . . 0.0 109.833 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -54.43 -24.7 21.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.42 -0.8 . . . . 0.0 109.26 179.202 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.27 -33.34 49.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.836 . . . . 0.0 109.832 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.465 ' O ' HD12 ' A' ' 55' ' ' LEU . 26.8 mt-30 -78.18 -41.04 35.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.386 -0.821 . . . . 0.0 109.912 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.812 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.8 -40.9 98.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.343 -0.848 . . . . 0.0 110.105 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -72.18 -42.4 65.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.851 . . . . 0.0 110.138 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -66.19 -37.47 85.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 110.152 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.1 OUTLIER -64.83 -21.74 66.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.324 -0.86 . . . . 0.0 110.226 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -60.47 -64.12 1.06 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 110.151 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 9.9 pt-20 -54.77 -23.76 19.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.257 -0.902 . . . . 0.0 110.155 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -67.67 -20.12 65.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.356 -0.84 . . . . 0.0 110.227 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 17.3 t80 -52.62 -39.97 62.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.232 -0.918 . . . . 0.0 110.231 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mt -75.09 -44.51 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -0.89 . . . . 0.0 110.171 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.53 -24.35 65.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.3 -0.875 . . . . 0.0 110.199 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.306 -0.871 . . . . 0.0 110.139 -179.933 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' B' ' 21' ' ' ALA . 47.1 Cg_endo . . . . . 0 C--O 1.213 -0.727 0 CA-C-O 120.998 0.333 . . . . 0.0 111.711 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? 64.4 -67.75 0.11 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.198 -0.939 . . . . 0.0 111.498 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.3 -47.02 18.39 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.113 -0.992 . . . . 0.0 110.956 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.656 ' N ' HD12 ' B' ' 22' ' ' LEU . 9.3 mp -80.48 -41.24 24.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.295 -0.878 . . . . 0.0 109.35 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -51.73 -45.54 63.66 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.686 -0.634 . . . . 0.0 110.281 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -73.88 -47.26 39.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 110.193 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -58.19 -44.35 88.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.227 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.445 HG23 ' CD1' ' B' ' 52' ' ' LEU . 76.6 mt -63.81 -54.24 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 0.0 110.167 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.39 -25.33 64.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.248 -0.907 . . . . 0.0 110.188 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -80.01 -49.99 11.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.223 -0.923 . . . . 0.0 110.24 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.81 ' HB3' HD23 ' B' ' 52' ' ' LEU . 4.7 mp -63.41 -34.71 78.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.868 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.2 -40.4 85.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.243 -0.911 . . . . 0.0 110.193 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.42 -30.29 54.13 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 tp -64.81 -29.1 70.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -1.154 . . . . 0.0 110.255 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.414 ' HG3' ' HB ' ' B' ' 48' ' ' ILE . 0.0 OUTLIER -62.09 -60.36 3.72 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.285 -0.884 . . . . 0.0 110.281 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 6.5 mtp -58.2 -31.26 67.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.297 -0.877 . . . . 0.0 110.418 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -75.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.24 -0.913 . . . . 0.0 110.433 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.816 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 30.1 m-70 -56.33 -48.75 76.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.143 -0.973 . . . . 0.0 110.378 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.22 -39.88 31.56 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.149 -0.969 . . . . 0.0 109.913 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -63.86 -33.57 75.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 109.402 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -91.68 17.65 8.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.421 -0.799 . . . . 0.0 109.735 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mp 55.96 24.16 7.38 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.448 -0.782 . . . . 0.0 110.925 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.63 -44.48 74.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.116 -0.99 . . . . 0.0 108.88 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.663 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 4.3 m-85 48.86 -177.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.771 -0.58 . . . . 0.0 111.263 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.499 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 36.4 tt0 65.97 -63.47 0.23 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 121.766 0.793 . . . . 0.0 109.044 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 42' ' ' PHE . 14.7 pt-20 -82.64 -30.53 29.3 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-O 121.361 0.6 . . . . 0.0 109.727 178.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.816 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.99 -46.53 14.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.336 -0.852 . . . . 0.0 111.113 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.648 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -75.03 -19.54 59.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.95 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 28.3 mt-30 -72.05 -38.39 69.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.902 -1.124 . . . . 0.0 110.052 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.414 ' HB ' ' HG3' ' B' ' 33' ' ' MET . 35.3 mm -50.13 -28.44 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.135 -0.978 . . . . 0.0 109.849 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -54.49 -24.61 21.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.424 -0.798 . . . . 0.0 109.298 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.33 -33.31 49.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.78 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.478 ' O ' HD12 ' B' ' 55' ' ' LEU . 26.7 mt-30 -78.17 -41.0 36.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.344 -0.847 . . . . 0.0 109.985 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.81 HD23 ' HB3' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -62.91 -40.87 98.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.361 -0.837 . . . . 0.0 110.022 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -72.24 -42.36 65.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.306 -0.872 . . . . 0.0 110.177 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' B' ' 57' ' ' GLU . 9.2 mt-30 -66.15 -37.55 85.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.293 -0.879 . . . . 0.0 110.153 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.478 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.1 OUTLIER -64.82 -21.8 66.86 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.223 -0.923 . . . . 0.0 110.169 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -60.31 -64.2 1.03 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 0.0 110.202 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 54' ' ' GLN . 9.8 pt-20 -54.74 -23.74 19.15 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.0 110.146 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 0.2 OUTLIER -67.73 -20.1 65.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -0.887 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 59' ' ' PHE . . . . . 0.419 ' C ' ' CD1' ' B' ' 59' ' ' PHE . 17.2 t80 -52.55 -39.97 62.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.175 -0.953 . . . . 0.0 110.314 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mt -75.1 -44.49 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.256 -0.903 . . . . 0.0 110.138 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.65 -24.35 65.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.208 -0.932 . . . . 0.0 110.176 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.96 -62.83 1.23 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.249 -0.907 . . . . 0.0 110.266 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.228 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HG2' HD13 ' A' ' 22' ' ' LEU . 46.5 Cg_endo . . . . . 0 C--O 1.214 -0.692 0 CA-C-O 120.955 0.314 . . . . 0.0 111.633 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.39 -67.35 0.11 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.285 -0.884 . . . . 0.0 111.515 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.36 -45.73 17.88 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.114 -0.991 . . . . 0.0 110.927 -179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.656 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.7 mp -80.67 -41.62 23.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -0.926 . . . . 0.0 109.382 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -50.99 -49.06 61.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.652 -0.655 . . . . 0.0 110.471 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 31.9 tp60 -74.28 -30.46 62.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -70.61 -45.38 65.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.22 -0.925 . . . . 0.0 110.242 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.464 HG23 HD13 ' A' ' 52' ' ' LEU . 77.9 mt -69.88 -45.22 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.327 -0.858 . . . . 0.0 110.262 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -67.03 -23.13 65.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.233 -0.917 . . . . 0.0 110.293 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 3.1 mm-40 -80.07 -38.02 32.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 110.308 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HB3' HD23 ' A' ' 52' ' ' LEU . 4.9 mp -77.07 -36.66 55.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 0.0 110.23 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HG2' ' CD2' ' B' ' 40' ' ' LEU . 1.2 tm-20 -54.14 -46.66 72.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.16 -0.963 . . . . 0.0 110.2 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.1 -29.25 72.28 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.83 -40.04 91.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -1.09 . . . . 0.0 110.176 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.51 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 21.0 mtp -51.66 -36.92 48.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.284 -0.885 . . . . 0.0 110.477 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.9 ttm -80.26 -30.89 38.48 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.153 -0.967 . . . . 0.0 110.648 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.77 -81.07 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.2 -0.938 . . . . 0.0 110.874 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -33.38 66.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.07 -1.019 . . . . 0.0 110.304 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 33' ' ' MET . . . -50.84 -39.82 54.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.116 -0.99 . . . . 0.0 110.112 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -58.89 -40.59 84.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.358 -0.839 . . . . 0.0 110.113 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -90.64 17.46 7.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.266 -0.896 . . . . 0.0 110.222 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' CD2' ' HG2' ' B' ' 30' ' ' GLU . 1.6 mp 55.0 21.59 3.85 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.28 -0.888 . . . . 0.0 110.532 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -108.76 21.36 17.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.304 -0.873 . . . . 0.0 109.706 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.859 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -78.29 23.08 0.3 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.233 -0.917 . . . . 0.0 113.415 -178.674 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' HB2' ' CD ' ' B' ' 49' ' ' ARG . 50.5 tt0 -52.93 -57.07 11.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.625 -1.297 . . . . 0.0 107.868 178.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 8.4 pt-20 -81.55 -24.7 36.4 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.859 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -69.23 -50.95 42.52 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.225 -0.922 . . . . 0.0 110.735 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.486 ' HA ' ' CZ ' ' B' ' 42' ' ' PHE . . . -55.99 -27.23 51.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.113 -0.992 . . . . 0.0 110.354 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -56.8 -30.49 63.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.06 -1.025 . . . . 0.0 109.44 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.35 -27.37 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.261 -0.9 . . . . 0.0 109.451 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.433 ' CD ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -53.49 -27.06 23.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.492 -0.755 . . . . 0.0 109.295 179.249 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -76.3 -33.98 59.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 0.0 109.819 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -78.95 -30.84 44.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.311 -0.868 . . . . 0.0 109.894 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD13 HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -63.86 -41.2 97.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.424 -0.797 . . . . 0.0 110.212 179.838 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 11.9 t-80 -80.19 -26.16 39.35 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.339 -0.85 . . . . 0.0 110.335 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -80.84 -34.78 33.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.034 -1.041 . . . . 0.0 110.479 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -26.52 67.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.258 -0.901 . . . . 0.0 111.157 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -60.98 -24.51 66.17 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.984 -1.073 . . . . 0.0 110.36 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.85 -38.63 61.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.202 -0.936 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -19.81 20.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.325 -0.859 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -48.25 -42.34 30.17 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.256 -0.903 . . . . 0.0 110.551 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.7 mt -75.11 -33.74 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.0 110.249 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.21 -19.06 58.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.226 -0.921 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 110.25 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.468 ' HG2' HD13 ' B' ' 22' ' ' LEU . 46.7 Cg_endo . . . . . 0 C--O 1.214 -0.7 0 CA-C-O 120.936 0.307 . . . . 0.0 111.608 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.55 -67.43 0.11 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.262 -0.899 . . . . 0.0 111.479 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.28 -45.76 17.48 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.156 -0.965 . . . . 0.0 110.992 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.655 ' N ' HD12 ' B' ' 22' ' ' LEU . 9.6 mp -80.7 -41.5 23.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 0.0 109.396 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -51.08 -49.03 61.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.732 -0.605 . . . . 0.0 110.423 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.42 ' O ' ' CG ' ' B' ' 28' ' ' GLU . 31.9 tp60 -74.36 -30.44 62.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.277 -0.89 . . . . 0.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -70.63 -45.34 65.37 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.174 -0.953 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.456 HG23 HD13 ' B' ' 52' ' ' LEU . 77.5 mt -69.76 -45.28 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 0.0 110.327 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -66.96 -23.15 65.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.169 -0.957 . . . . 0.0 110.335 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' B' ' 24' ' ' GLN . 3.2 mm-40 -80.09 -37.91 32.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.202 -0.936 . . . . 0.0 110.308 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.403 ' HB3' HD23 ' B' ' 52' ' ' LEU . 4.8 mp -77.1 -36.81 55.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.11 -0.994 . . . . 0.0 110.13 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.42 ' HG2' ' CD2' ' A' ' 40' ' ' LEU . 1.2 tm-20 -54.02 -46.78 71.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.258 -0.901 . . . . 0.0 110.174 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.95 -29.33 72.48 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.403 ' HB3' HD13 ' B' ' 48' ' ' ILE . 0.9 OUTLIER -60.86 -39.96 91.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.37 -1.076 . . . . 0.0 110.138 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.513 ' O ' ' HB2' ' B' ' 37' ' ' ALA . 20.9 mtp -51.67 -36.97 48.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.33 -0.856 . . . . 0.0 110.418 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.9 ttm -80.24 -30.8 38.56 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.194 -0.941 . . . . 0.0 110.707 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -81.16 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.289 -0.882 . . . . 0.0 110.807 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -33.53 65.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.996 -1.065 . . . . 0.0 110.321 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' B' ' 33' ' ' MET . . . -50.72 -39.88 52.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.205 -0.935 . . . . 0.0 110.097 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -58.95 -40.48 84.85 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.39 -0.818 . . . . 0.0 110.065 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -90.75 17.44 7.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.291 -0.881 . . . . 0.0 110.196 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.433 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 1.6 mp 55.12 21.61 4.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.172 -0.955 . . . . 0.0 110.459 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -108.74 21.36 17.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.252 -0.905 . . . . 0.0 109.652 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.826 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 0.0 OUTLIER -78.35 23.21 0.3 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.254 -0.903 . . . . 0.0 113.369 -178.67 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.433 ' HB2' ' CD ' ' A' ' 49' ' ' ARG . 51.1 tt0 -52.89 -57.14 11.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.58 -1.325 . . . . 0.0 107.87 177.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 8.4 pt-20 -81.57 -24.68 36.36 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.826 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -69.27 -50.85 43.15 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.178 -0.951 . . . . 0.0 110.801 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . . . -56.08 -27.15 52.43 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.134 -0.979 . . . . 0.0 110.349 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -56.84 -30.45 63.79 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.026 -1.046 . . . . 0.0 109.437 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.403 HD13 ' HB3' ' B' ' 32' ' ' LEU . 96.6 mt -53.43 -27.22 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.324 -0.86 . . . . 0.0 109.491 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.424 ' CD ' ' HB2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -53.63 -26.91 24.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.515 -0.741 . . . . 0.0 109.334 179.261 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -76.38 -33.98 58.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.357 -0.839 . . . . 0.0 109.845 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -78.91 -30.9 45.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.291 -0.881 . . . . 0.0 109.912 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.456 HD13 HG23 ' B' ' 26' ' ' ILE . 0.2 OUTLIER -63.84 -41.27 97.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.339 -0.851 . . . . 0.0 110.117 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 12.0 t-80 -80.09 -26.24 39.66 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 110.424 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -80.69 -34.88 34.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 110.51 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -26.46 67.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.23 -0.919 . . . . 0.0 111.102 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 53' ' ' HIS . 0.1 OUTLIER -61.05 -24.5 66.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.067 -1.021 . . . . 0.0 110.367 -179.634 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.76 -38.65 62.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 110.086 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -19.79 20.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.262 -0.899 . . . . 0.0 110.379 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -48.27 -42.32 30.34 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.225 -0.922 . . . . 0.0 110.624 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 53.2 mt -75.19 -33.73 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.168 -0.957 . . . . 0.0 110.165 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.2 -19.01 58.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.244 -0.91 . . . . 0.0 110.317 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.38 -55.95 2.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.221 -0.925 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.172 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.467 ' HG2' ' HB3' ' A' ' 22' ' ' LEU . 50.5 Cg_endo . . . . . 0 N--CA 1.487 1.129 0 CA-C-O 121.022 0.342 . . . . 0.0 111.686 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.65 -66.68 0.15 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.184 -0.947 . . . . 0.0 111.114 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -51.13 -62.86 1.36 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.988 -1.07 . . . . 0.0 110.364 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.907 HD11 HD11 ' A' ' 26' ' ' ILE . 2.7 tp -62.3 -56.97 13.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.365 -0.834 . . . . 0.0 109.51 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.556 ' HA ' HD12 ' A' ' 26' ' ' ILE . 4.9 tt0 -48.23 -42.53 30.53 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.312 -0.867 . . . . 0.0 110.451 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.06 -36.58 84.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.244 -0.91 . . . . 0.0 109.854 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -48.67 59.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.316 -0.865 . . . . 0.0 109.992 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.907 HD11 HD11 ' A' ' 22' ' ' LEU . 41.8 mt -52.86 -56.53 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.908 . . . . 0.0 110.079 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -55.16 -22.42 17.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 110.118 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -37.42 34.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.101 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.431 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . 26.7 mt -77.16 -41.53 41.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 110.043 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.518 ' OE2' HD21 ' B' ' 40' ' ' LEU . 1.2 tm-20 -62.77 -44.88 95.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.284 -0.885 . . . . 0.0 109.913 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.82 -34.7 90.65 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tp -65.64 -34.1 77.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.224 -1.162 . . . . 0.0 109.934 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.673 ' HE1' HD23 ' B' ' 40' ' ' LEU . 1.6 mtp -59.67 -61.16 2.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.306 -0.871 . . . . 0.0 110.165 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 mtt -47.49 -42.03 22.08 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.389 -0.819 . . . . 0.0 110.779 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.76 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.167 -0.958 . . . . 0.0 110.224 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.475 ' CB ' ' CB ' ' A' ' 45' ' ' ALA . 72.1 m80 -51.36 -51.96 49.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.341 -0.849 . . . . 0.0 110.609 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.005 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -48.35 -32.5 7.57 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.278 -0.889 . . . . 0.0 110.122 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -75.16 -36.24 61.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.666 ' C ' HD12 ' A' ' 40' ' ' LEU . 4.3 m120 -94.78 23.96 5.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.457 -0.777 . . . . 0.0 109.727 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.666 HD12 ' C ' ' A' ' 39' ' ' ASN . 5.0 mp 55.73 30.56 15.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.425 -0.797 . . . . 0.0 110.654 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -109.25 17.65 21.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.177 -0.952 . . . . 0.0 110.04 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.008 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.0 p90 -61.82 -7.58 3.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.396 -0.815 . . . . 0.0 112.044 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -50.33 -67.77 0.23 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.501 -1.374 . . . . 0.0 109.204 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 2.2 pt-20 -81.54 -19.57 41.81 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.578 -0.701 . . . . 0.0 109.725 178.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 1.008 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -76.84 -50.22 13.92 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.404 -0.81 . . . . 0.0 111.224 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.647 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -50.24 -25.79 4.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.103 -0.998 . . . . 0.0 110.401 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -50.96 -25.66 4.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.005 -1.06 . . . . 0.0 109.756 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.709 HG22 HD23 ' A' ' 52' ' ' LEU . 43.0 mt -65.0 -29.08 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.441 -0.787 . . . . 0.0 109.749 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -48.66 -28.01 3.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.307 -0.871 . . . . 0.0 110.267 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.14 -45.17 23.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.397 -0.814 . . . . 0.0 109.712 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.872 ' O ' HD12 ' A' ' 55' ' ' LEU . 15.9 mt-30 -68.22 -37.11 80.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.3 -0.875 . . . . 0.0 109.851 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.709 HD23 HG22 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -62.4 -41.95 99.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.342 -0.849 . . . . 0.0 110.114 179.798 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.402 ' O ' ' HB3' ' A' ' 56' ' ' ARG . 66.7 m170 -69.91 -48.27 59.25 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.316 -0.865 . . . . 0.0 110.193 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.66 -44.73 96.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.201 -0.937 . . . . 0.0 110.217 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.872 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -62.84 -28.48 70.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -0.888 . . . . 0.0 110.195 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 53' ' ' HIS . 18.8 ttt-85 -56.58 -60.45 3.52 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.283 -0.886 . . . . 0.0 110.16 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.7 pt-20 -59.57 -22.87 62.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.897 . . . . 0.0 110.106 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 2.8 mt -72.4 -19.95 61.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 0.0 110.307 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.33 -45.62 65.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.0 mt -73.39 -36.23 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.2 -0.938 . . . . 0.0 110.177 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.41 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -72.97 -20.29 61.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 110.197 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.444 ' HG2' ' HB3' ' B' ' 22' ' ' LEU . 50.1 Cg_endo . . . . . 0 N--CA 1.487 1.104 0 CA-C-O 121.026 0.344 . . . . 0.0 111.649 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' B' ' 24' ' ' GLN . 0.0 OUTLIER 65.67 -66.8 0.15 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.17 -0.956 . . . . 0.0 111.019 179.716 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -51.1 -62.8 1.39 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.067 -1.021 . . . . 0.0 110.334 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.916 HD11 HD11 ' B' ' 26' ' ' ILE . 2.6 tp -62.35 -57.01 12.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.862 . . . . 0.0 109.516 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 0.551 ' HA ' HD12 ' B' ' 26' ' ' ILE . 4.9 tt0 -48.16 -42.51 29.77 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.346 -0.846 . . . . 0.0 110.537 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 20' ' ' LYS . 1.4 tm0? -64.03 -36.75 85.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.207 -0.933 . . . . 0.0 109.8 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -48.72 59.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.34 -0.85 . . . . 0.0 109.938 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.916 HD11 HD11 ' B' ' 22' ' ' LEU . 41.6 mt -52.8 -56.48 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 110.089 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -55.26 -22.32 17.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 110.118 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.88 -37.37 34.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.215 -0.928 . . . . 0.0 110.162 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.424 ' HB3' ' CD2' ' B' ' 52' ' ' LEU . 26.8 mt -77.24 -41.58 40.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.027 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.447 ' OE2' HD21 ' A' ' 40' ' ' LEU . 1.2 tm-20 -62.7 -44.81 95.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -0.885 . . . . 0.0 109.968 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.96 -34.67 90.55 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tp -65.62 -34.04 77.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.313 -1.11 . . . . 0.0 109.949 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.565 ' HE1' HD23 ' A' ' 40' ' ' LEU . 1.6 mtp -59.74 -61.17 2.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.348 -0.845 . . . . 0.0 110.123 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mtt -47.44 -42.02 21.59 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.372 -0.83 . . . . 0.0 110.878 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.72 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.281 -0.887 . . . . 0.0 110.178 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.471 ' CB ' ' CB ' ' B' ' 45' ' ' ALA . 71.8 m80 -51.3 -52.07 48.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.386 -0.821 . . . . 0.0 110.565 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 1.005 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -48.28 -32.49 7.37 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.226 -0.921 . . . . 0.0 110.097 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -75.25 -36.19 61.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -0.856 . . . . 0.0 109.492 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASN . . . . . 0.671 ' C ' HD12 ' B' ' 40' ' ' LEU . 4.2 m120 -94.73 23.84 5.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.501 -0.749 . . . . 0.0 109.73 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.673 HD23 ' HE1' ' A' ' 33' ' ' MET . 5.0 mp 55.74 30.66 16.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.521 -0.737 . . . . 0.0 110.673 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -109.35 17.53 21.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.159 -0.963 . . . . 0.0 110.009 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 1.005 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 5.0 p90 -61.66 -7.81 3.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.443 -0.786 . . . . 0.0 112.026 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -50.21 -67.73 0.23 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.448 -1.407 . . . . 0.0 109.188 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 2.2 pt-20 -81.64 -19.46 41.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.444 -0.785 . . . . 0.0 109.684 178.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 1.005 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -76.91 -50.46 13.24 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.33 -0.856 . . . . 0.0 111.269 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.668 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -49.91 -26.05 3.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.114 -0.991 . . . . 0.0 110.359 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -50.75 -25.7 4.7 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.079 -1.013 . . . . 0.0 109.782 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.707 HG22 HD23 ' B' ' 52' ' ' LEU . 43.0 mt -65.13 -28.97 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.471 -0.768 . . . . 0.0 109.667 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.8 OUTLIER -48.6 -28.13 3.25 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.286 -0.884 . . . . 0.0 110.257 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.21 -45.2 23.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.373 -0.83 . . . . 0.0 109.625 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.871 ' O ' HD12 ' B' ' 55' ' ' LEU . 16.0 mt-30 -68.18 -37.04 80.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 109.852 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.707 HD23 HG22 ' B' ' 48' ' ' ILE . 0.5 OUTLIER -62.47 -41.92 99.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.302 -0.874 . . . . 0.0 110.108 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -69.87 -48.29 59.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 0.0 110.196 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.7 -44.77 96.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.198 -0.939 . . . . 0.0 110.128 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.871 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.5 OUTLIER -62.78 -28.55 70.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.255 -0.903 . . . . 0.0 110.176 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -56.56 -60.42 3.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -0.911 . . . . 0.0 110.113 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.7 pt-20 -59.55 -22.98 62.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.237 -0.914 . . . . 0.0 110.068 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 2.9 mt -72.31 -19.96 61.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.26 -0.9 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.34 -45.63 65.74 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 54.8 mt -73.44 -36.27 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 110.154 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.8 -20.37 61.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.226 -0.921 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.48 -62.24 1.53 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.159 -0.963 . . . . 0.0 110.226 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.209 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' A' ' 22' ' ' LEU . 45.5 Cg_endo . . . . . 0 C--O 1.214 -0.678 0 CA-C-O 120.927 0.303 . . . . 0.0 111.649 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.14 -67.45 0.11 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.321 -0.862 . . . . 0.0 111.608 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.02 -46.34 16.5 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.175 -0.953 . . . . 0.0 110.972 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.669 HD12 ' N ' ' A' ' 22' ' ' LEU . 8.7 mp -80.62 -44.87 18.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.881 . . . . 0.0 109.486 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -52.08 -38.08 56.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.684 -0.635 . . . . 0.0 110.367 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -77.67 -41.65 37.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.203 -0.935 . . . . 0.0 110.39 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -72.5 -40.23 67.04 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.249 -0.907 . . . . 0.0 110.282 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.467 HD11 ' HB3' ' A' ' 22' ' ' LEU . 85.7 mt -66.56 -42.91 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.887 . . . . 0.0 110.31 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -76.88 -20.04 56.73 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 110.39 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 16.2 mm-40 -79.07 -53.49 6.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.185 -0.947 . . . . 0.0 110.328 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.543 HD22 HD12 ' A' ' 48' ' ' ILE . 25.2 mt -64.02 -27.64 69.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.222 -0.924 . . . . 0.0 110.282 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.44 -35.36 80.66 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.241 -0.912 . . . . 0.0 110.287 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.79 -23.3 69.98 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.64 -28.75 67.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.138 -1.213 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.539 ' CE ' HD23 ' B' ' 40' ' ' LEU . 5.0 mtp -61.44 -64.59 0.9 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.197 -0.94 . . . . 0.0 110.275 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.7 tpp -60.53 -31.4 70.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.271 -0.893 . . . . 0.0 110.297 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -54.74 -76.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.229 -0.92 . . . . 0.0 110.274 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.821 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 19.9 m170 -59.53 -44.19 93.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 110.249 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.17 -39.11 27.92 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.103 -0.998 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' GLN . 0.1 OUTLIER -59.75 -35.51 74.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.336 -0.853 . . . . 0.0 109.402 179.492 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.39 17.9 7.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.387 -0.82 . . . . 0.0 109.703 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.711 HD23 ' CE ' ' B' ' 33' ' ' MET . 7.2 mp 55.03 23.93 5.58 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.402 -0.811 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 36' ' ' HIS . 7.1 mm-40 -66.83 -44.22 81.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.984 . . . . 0.0 108.986 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.593 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 6.3 m-85 48.2 -175.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.634 -0.667 . . . . 0.0 111.198 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.504 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 31.4 tt0 65.94 -63.27 0.23 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.717 0.77 . . . . 0.0 109.027 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.47 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 15.8 pt-20 -82.67 -33.28 27.77 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.301 0.572 . . . . 0.0 109.921 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.821 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -81.12 -43.25 19.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.31 -0.868 . . . . 0.0 111.476 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.616 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -78.0 -26.17 48.41 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.09 -1.006 . . . . 0.0 111.367 -178.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 7.4 mm100 -65.1 -32.81 74.7 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.907 -1.121 . . . . 0.0 109.855 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.543 HD12 HD22 ' A' ' 29' ' ' LEU . 38.6 mm -51.97 -28.38 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.218 -0.926 . . . . 0.0 109.772 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -54.7 -27.58 41.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.375 -0.828 . . . . 0.0 109.365 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -77.87 -34.09 51.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 0.0 109.931 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.482 ' O ' HD12 ' A' ' 55' ' ' LEU . 27.0 mt-30 -80.06 -40.03 28.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 110.068 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -63.78 -44.05 94.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.249 -0.907 . . . . 0.0 110.145 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -66.69 -40.03 88.33 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 110.145 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.66 -42.08 82.75 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.12 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -68.31 -22.08 64.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.212 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -56.43 -51.21 69.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.29 -0.881 . . . . 0.0 110.214 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' O ' HD12 ' A' ' 60' ' ' ILE . 2.0 tp10 -61.18 -35.3 76.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.24 -0.913 . . . . 0.0 110.244 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -56.39 -24.06 42.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.206 -0.934 . . . . 0.0 110.219 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.403 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 21.6 t80 -54.05 -31.68 52.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 0.0 110.151 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 57' ' ' GLU . 4.2 mt -79.95 -28.97 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.514 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -68.65 -21.64 64.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.202 -0.936 . . . . 0.0 110.22 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 110.246 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.457 ' HG2' ' HB2' ' B' ' 22' ' ' LEU . 45.5 Cg_endo . . . . . 0 C--O 1.214 -0.711 0 CA-C-O 121.05 0.354 . . . . 0.0 111.677 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 -67.56 0.1 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.251 -0.906 . . . . 0.0 111.632 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.97 -46.45 16.32 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.168 -0.957 . . . . 0.0 110.914 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.669 ' N ' HD12 ' B' ' 22' ' ' LEU . 8.7 mp -80.44 -44.99 18.36 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.23 -0.919 . . . . 0.0 109.526 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -52.05 -38.05 55.73 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.648 -0.658 . . . . 0.0 110.381 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' B' ' 28' ' ' GLU . 0.0 OUTLIER -77.75 -41.68 36.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.183 -0.948 . . . . 0.0 110.297 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -72.47 -40.26 67.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.164 -0.96 . . . . 0.0 110.305 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.465 HD11 ' HB3' ' B' ' 22' ' ' LEU . 86.0 mt -66.53 -42.96 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.208 -0.933 . . . . 0.0 110.314 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -76.79 -20.05 56.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 110.427 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' B' ' 24' ' ' GLN . 16.0 mm-40 -79.23 -53.38 7.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.912 . . . . 0.0 110.31 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.543 HD22 HD12 ' B' ' 48' ' ' ILE . 25.1 mt -64.03 -27.61 69.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.353 -0.842 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.36 -35.35 80.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.154 -0.966 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.9 -23.17 70.01 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.75 -28.81 67.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.198 -1.178 . . . . 0.0 110.3 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.711 ' CE ' HD23 ' A' ' 40' ' ' LEU . 5.0 mtp -61.3 -64.72 0.86 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.258 -0.901 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 41.6 tpp -60.41 -31.39 70.34 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 110.313 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -76.9 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.181 -0.949 . . . . 0.0 110.304 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.821 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 20.1 m170 -59.59 -44.11 93.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.148 -0.97 . . . . 0.0 110.31 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.23 -39.12 28.79 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.177 -0.952 . . . . 0.0 110.014 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -35.44 74.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.952 . . . . 0.0 109.395 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.41 17.99 7.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.482 -0.761 . . . . 0.0 109.713 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.674 ' N ' HD12 ' B' ' 40' ' ' LEU . 7.2 mp 54.94 23.92 5.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.388 -0.82 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -66.75 -44.18 82.17 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.235 -0.916 . . . . 0.0 109.084 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.616 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 6.4 m-85 48.21 -175.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.745 -0.597 . . . . 0.0 111.241 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 31.5 tt0 65.88 -63.23 0.23 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.769 0.795 . . . . 0.0 109.083 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' B' ' 42' ' ' PHE . 15.8 pt-20 -82.86 -33.16 27.13 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 121.755 -0.591 . . . . 0.0 109.916 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.821 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -81.11 -43.12 19.9 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.282 -0.887 . . . . 0.0 111.458 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.593 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -78.06 -26.4 48.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.121 -0.987 . . . . 0.0 111.364 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 7.4 mm100 -64.99 -32.73 74.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.871 -1.143 . . . . 0.0 109.894 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.543 HD12 HD22 ' B' ' 29' ' ' LEU . 38.5 mm -52.11 -28.35 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.224 -0.923 . . . . 0.0 109.712 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -54.63 -27.66 41.23 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.495 -0.753 . . . . 0.0 109.358 179.262 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -77.83 -34.06 52.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.287 -0.883 . . . . 0.0 109.944 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.5 ' O ' HD12 ' B' ' 55' ' ' LEU . 27.0 mt-30 -80.05 -40.05 28.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 110.051 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' B' ' 52' ' ' LEU . 0.1 OUTLIER -63.84 -44.1 94.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.236 -0.915 . . . . 0.0 110.092 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -66.72 -39.95 88.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.278 -0.889 . . . . 0.0 110.112 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.76 -41.96 82.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 110.15 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.5 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.5 OUTLIER -68.41 -22.07 64.64 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.933 . . . . 0.0 110.109 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -56.47 -51.13 69.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.301 -0.874 . . . . 0.0 110.212 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.47 ' O ' HD12 ' B' ' 60' ' ' ILE . 2.0 tp10 -61.23 -35.32 76.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.925 . . . . 0.0 110.198 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' B' ' 61' ' ' ALA . 0.5 OUTLIER -56.39 -24.04 42.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.15 -0.968 . . . . 0.0 110.205 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -54.04 -31.69 52.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.252 -0.905 . . . . 0.0 110.172 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.47 HD12 ' O ' ' B' ' 57' ' ' GLU . 4.2 mt -80.06 -28.93 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.3 -0.875 . . . . 0.0 110.168 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.507 ' HB3' HD23 ' B' ' 58' ' ' LEU . . . -68.62 -21.6 64.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 0.0 110.282 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.404 ' HB3' ' HG3' ' B' ' 19' ' ' PRO . . . -103.67 -64.2 1.12 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.209 -0.932 . . . . 0.0 110.194 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.16 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' ALA . 50.3 Cg_endo . . . . . 0 C--O 1.215 -0.635 0 CA-C-O 120.888 0.287 . . . . 0.0 111.543 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.11 -66.33 0.17 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.082 -1.011 . . . . 0.0 110.85 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.73 -51.38 22.27 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.2 -0.937 . . . . 0.0 110.373 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.901 HD11 HD11 ' A' ' 26' ' ' ILE . 3.6 tp -68.8 -58.03 4.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.377 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -46.39 -53.32 11.21 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.485 -0.76 . . . . 0.0 110.602 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -34.29 70.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.295 -0.878 . . . . 0.0 110.222 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -69.72 -52.1 28.51 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.239 -0.913 . . . . 0.0 110.136 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.901 HD11 HD11 ' A' ' 22' ' ' LEU . 43.5 mt -53.46 -55.91 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.265 -0.897 . . . . 0.0 110.238 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.87 -24.13 61.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.09 -50.01 15.88 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.296 -0.878 . . . . 0.0 110.251 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HB2' HD21 ' A' ' 52' ' ' LEU . 56.4 mt -69.68 -38.96 77.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.236 -0.915 . . . . 0.0 110.209 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.49 -50.36 73.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.246 -0.909 . . . . 0.0 110.234 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.8 -34.35 88.39 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.45 -26.57 60.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.282 -1.128 . . . . 0.0 110.21 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.738 ' CE ' HD21 ' B' ' 40' ' ' LEU . 6.6 tmm? -79.83 -27.2 40.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.26 -0.9 . . . . 0.0 110.308 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 mmt -78.3 -48.8 14.9 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.085 -1.009 . . . . 0.0 110.462 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.629 ' HG3' ' CD2' ' A' ' 36' ' ' HIS . 17.3 pt20 -51.66 -33.2 32.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.196 -0.94 . . . . 0.0 110.468 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.799 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 67.3 m170 -76.65 -63.66 1.29 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.263 -0.898 . . . . 0.0 110.14 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -47.82 -36.41 11.8 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.265 -0.897 . . . . 0.0 109.982 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -70.71 -34.14 71.61 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.415 -0.803 . . . . 0.0 109.461 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -92.77 20.33 6.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.452 -0.78 . . . . 0.0 109.67 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.622 HD21 ' CE ' ' B' ' 33' ' ' MET . 0.2 OUTLIER 58.32 24.38 11.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.414 -0.804 . . . . 0.0 110.895 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 2.1 mm-40 -70.0 -49.25 53.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.168 -0.958 . . . . 0.0 108.999 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.711 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 4.3 m-85 48.97 -177.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.562 -0.712 . . . . 0.0 111.109 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 28.0 tt0 66.04 -62.66 0.25 Allowed 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.724 0.773 . . . . 0.0 109.156 -178.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' OE2' ' CG ' ' A' ' 36' ' ' HIS . 24.9 pt-20 -82.43 -29.54 30.66 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.729 -0.607 . . . . 0.0 109.744 178.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 36' ' ' HIS . . . -80.51 -47.52 14.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -0.851 . . . . 0.0 111.15 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.719 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -68.93 -19.85 64.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.156 -0.965 . . . . 0.0 110.784 -178.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -79.1 -50.94 10.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.981 -1.074 . . . . 0.0 109.68 179.43 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.6 mt -51.19 -30.97 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.167 -0.958 . . . . 0.0 109.31 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HG3' HD23 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -55.81 -23.87 32.73 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.41 ' HB2' ' NH2' ' A' ' 49' ' ' ARG . 9.2 t0 -79.51 -35.39 40.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.312 -0.868 . . . . 0.0 109.815 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.587 ' O ' HD12 ' A' ' 55' ' ' LEU . 17.9 mt-30 -69.25 -41.02 77.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.324 -0.86 . . . . 0.0 109.959 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.821 ' CD1' HG23 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -54.8 -37.69 66.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.271 -0.893 . . . . 0.0 109.995 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.08 -55.06 20.97 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.241 -0.912 . . . . 0.0 110.026 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 2.7 mt-30 -57.71 -40.97 80.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 0.0 110.029 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -55.14 -28.84 55.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 0.0 110.081 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -58.36 -63.2 1.36 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.874 . . . . 0.0 110.027 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.5 pt-20 -57.33 -23.64 50.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.912 . . . . 0.0 110.084 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -63.45 -19.76 65.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 110.329 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.419 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 17.7 t80 -48.62 -36.41 15.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.239 -0.913 . . . . 0.0 110.553 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 58.4 mt -72.89 -36.86 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.97 . . . . 0.0 110.104 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.91 -20.37 61.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -0.906 . . . . 0.0 110.14 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.218 -0.926 . . . . 0.0 110.226 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.418 ' HG2' ' HB3' ' B' ' 22' ' ' LEU . 50.2 Cg_endo . . . . . 0 C--O 1.214 -0.684 0 CA-C-O 120.784 0.244 . . . . 0.0 111.518 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.14 -66.33 0.17 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.156 -0.965 . . . . 0.0 110.847 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.67 -51.49 21.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.245 -0.909 . . . . 0.0 110.359 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.894 HD11 HD11 ' B' ' 26' ' ' ILE . 3.6 tp -68.78 -57.99 4.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.413 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -46.42 -53.23 11.47 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.581 -0.7 . . . . 0.0 110.7 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -34.26 70.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.359 -0.838 . . . . 0.0 110.207 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -69.82 -51.99 28.91 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.269 -0.894 . . . . 0.0 110.148 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.894 HD11 HD11 ' B' ' 22' ' ' LEU . 43.4 mt -53.53 -55.9 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.213 -0.93 . . . . 0.0 110.239 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.83 -24.15 61.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.218 -0.926 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.17 -49.92 15.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.229 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.423 ' HB2' HD21 ' B' ' 52' ' ' LEU . 56.3 mt -69.73 -38.9 77.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.301 -0.874 . . . . 0.0 110.222 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.47 -50.44 73.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.225 -0.922 . . . . 0.0 110.216 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.22 88.02 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.56 -26.5 60.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.278 -1.13 . . . . 0.0 110.184 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.622 ' CE ' HD21 ' A' ' 40' ' ' LEU . 6.8 tmm? -79.69 -27.28 40.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 1.5 mmt -78.2 -48.96 14.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.183 -0.948 . . . . 0.0 110.418 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.629 ' HG3' ' CD2' ' B' ' 36' ' ' HIS . 17.2 pt20 -51.58 -33.26 31.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.17 -0.956 . . . . 0.0 110.445 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.792 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 67.2 m170 -76.57 -63.71 1.28 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.215 -0.928 . . . . 0.0 110.151 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -47.78 -36.5 11.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.278 -0.889 . . . . 0.0 109.992 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -70.67 -34.12 71.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.442 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -92.86 20.42 6.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.459 -0.776 . . . . 0.0 109.641 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.738 HD21 ' CE ' ' A' ' 33' ' ' MET . 0.2 OUTLIER 58.28 24.39 11.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.392 -0.818 . . . . 0.0 110.93 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.453 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 2.1 mm-40 -70.04 -49.35 52.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.104 -0.998 . . . . 0.0 109.007 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.719 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 4.4 m-85 49.04 -177.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.607 -0.683 . . . . 0.0 111.089 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 28.0 tt0 66.08 -62.7 0.25 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.738 0.78 . . . . 0.0 109.151 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' B' ' 42' ' ' PHE . 24.9 pt-20 -82.4 -29.56 30.74 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.312 0.577 . . . . 0.0 109.743 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.792 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.47 -47.8 13.76 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.4 -0.813 . . . . 0.0 111.223 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.711 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -68.77 -19.88 64.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.071 -1.018 . . . . 0.0 110.784 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' B' ' 43' ' ' GLU . 0.7 OUTLIER -78.87 -51.1 10.17 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.983 -1.073 . . . . 0.0 109.707 179.374 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.6 mt -51.04 -30.97 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.211 -0.931 . . . . 0.0 109.321 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.419 ' NH2' ' HB2' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -55.81 -23.86 32.7 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.885 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.419 ' HB2' ' NH2' ' B' ' 49' ' ' ARG . 9.2 t0 -79.43 -35.6 40.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.306 -0.871 . . . . 0.0 109.812 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.589 ' O ' HD12 ' B' ' 55' ' ' LEU . 17.9 mt-30 -69.28 -40.96 77.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.281 -0.887 . . . . 0.0 109.922 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.823 ' CD1' HG23 ' B' ' 26' ' ' ILE . 1.0 OUTLIER -54.79 -37.65 66.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.294 -0.879 . . . . 0.0 109.978 179.795 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.23 -54.92 22.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.33 -0.856 . . . . 0.0 110.023 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' B' ' 57' ' ' GLU . 2.7 mt-30 -57.73 -41.09 81.12 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.268 -0.895 . . . . 0.0 110.002 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.589 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.3 OUTLIER -55.02 -28.82 55.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.335 -0.853 . . . . 0.0 110.061 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -58.44 -63.08 1.4 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.27 -0.894 . . . . 0.0 110.046 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.5 pt-20 -57.5 -23.62 51.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.221 -0.924 . . . . 0.0 109.95 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 0.4 OUTLIER -63.45 -19.77 65.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.357 -0.84 . . . . 0.0 110.305 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 59' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' B' ' 59' ' ' PHE . 17.5 t80 -48.52 -36.45 15.31 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.197 -0.939 . . . . 0.0 110.568 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 58.8 mt -72.99 -36.81 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.303 -0.873 . . . . 0.0 110.031 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.82 -20.41 61.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.0 110.192 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.9 -61.21 1.53 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.178 -0.951 . . . . 0.0 110.202 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.185 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.641 ' HG3' HD23 ' A' ' 22' ' ' LEU . 43.8 Cg_endo . . . . . 0 N--CA 1.486 1.042 0 CA-C-O 121.07 0.362 . . . . 0.0 111.338 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? 63.59 -70.48 0.07 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.471 -0.768 . . . . 0.0 110.863 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -53.38 -60.38 3.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.866 -1.146 . . . . 0.0 109.771 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.976 HD11 HD11 ' A' ' 26' ' ' ILE . 4.0 tp -55.33 -61.16 2.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.416 -0.803 . . . . 0.0 109.215 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -49.05 -42.96 40.25 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.373 -0.83 . . . . 0.0 110.307 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -67.03 -32.89 74.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.918 . . . . 0.0 109.981 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -72.6 -48.51 39.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.323 -0.86 . . . . 0.0 110.068 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.976 HD11 HD11 ' A' ' 22' ' ' LEU . 80.0 mt -54.16 -54.45 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.207 -0.933 . . . . 0.0 109.952 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -23.8 65.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 110.033 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -79.95 -49.91 11.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.242 -0.911 . . . . 0.0 110.221 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HB3' HD23 ' A' ' 52' ' ' LEU . 4.4 mp -61.01 -44.68 97.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.148 -0.97 . . . . 0.0 110.123 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.8 -46.49 74.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.253 -0.904 . . . . 0.0 110.088 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.32 -30.57 73.55 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.37 -25.77 65.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.289 -1.124 . . . . 0.0 110.111 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.672 ' CE ' HD23 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -63.52 -60.5 3.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.872 . . . . 0.0 110.085 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.7 tpp -60.91 -30.99 70.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.327 -0.858 . . . . 0.0 110.173 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -76.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.331 -0.856 . . . . 0.0 110.391 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.852 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 14.3 m-70 -54.87 -46.23 74.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.197 -0.94 . . . . 0.0 110.11 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.95 -41.25 61.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.194 -0.941 . . . . 0.0 109.881 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -36.17 71.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 109.38 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -91.55 18.55 7.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 0.0 109.682 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.654 HD23 ' CE ' ' B' ' 33' ' ' MET . 6.8 mp 55.27 24.27 6.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.44 -0.788 . . . . 0.0 110.772 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.72 -44.59 77.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.924 . . . . 0.0 109.118 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.696 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 9.6 m-85 49.52 -178.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.572 -0.705 . . . . 0.0 111.077 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 29.3 tt0 66.25 -62.58 0.26 Allowed 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 121.693 0.759 . . . . 0.0 109.047 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' PHE . 14.7 pt-20 -82.55 -31.01 29.31 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-O 121.325 0.584 . . . . 0.0 109.751 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.852 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -80.7 -44.98 17.87 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.292 -0.88 . . . . 0.0 111.166 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.706 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -77.22 -19.63 56.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.176 -0.953 . . . . 0.0 111.113 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 8.3 mm100 -70.56 -36.62 73.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.956 -1.09 . . . . 0.0 110.001 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.0 mt -51.3 -28.67 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.268 -0.895 . . . . 0.0 109.899 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -53.64 -24.35 13.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.423 -0.798 . . . . 0.0 109.33 179.277 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.41 ' CB ' ' NH2' ' A' ' 49' ' ' ARG . 13.3 t0 -78.89 -32.53 45.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.329 -0.857 . . . . 0.0 109.802 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -80.13 -46.7 15.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.301 -0.875 . . . . 0.0 109.977 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.557 ' O ' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -59.38 -37.17 77.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.29 -0.881 . . . . 0.0 110.063 179.824 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.1 -51.67 67.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.887 . . . . 0.0 110.09 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -37.19 64.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -0.848 . . . . 0.0 110.102 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.86 -34.64 78.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 0.0 110.131 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -53.59 -56.8 14.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.322 -0.861 . . . . 0.0 110.062 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.48 -39.04 82.43 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.265 -0.897 . . . . 0.0 109.886 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -53.24 -22.82 7.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 0.0 110.176 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.771 ' HA ' HD21 ' A' ' 22' ' ' LEU . 29.1 t80 -52.21 -54.19 34.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.246 -0.908 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.2 -38.61 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.196 -0.94 . . . . 0.0 110.173 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 58' ' ' LEU . . . -55.76 -22.82 26.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.23 -0.919 . . . . 0.0 110.186 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.229 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.633 ' HG3' HD23 ' B' ' 22' ' ' LEU . 44.0 Cg_endo . . . . . 0 N--CA 1.486 1.052 0 CA-C-O 121.023 0.343 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? 63.6 -70.52 0.07 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.47 -0.769 . . . . 0.0 110.797 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -53.26 -60.47 3.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.923 -1.111 . . . . 0.0 109.794 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.986 HD11 HD11 ' B' ' 26' ' ' ILE . 4.0 tp -55.36 -61.16 2.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.342 -0.849 . . . . 0.0 109.163 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -49.04 -42.88 39.87 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.459 -0.775 . . . . 0.0 110.321 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -67.04 -32.98 74.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.268 -0.895 . . . . 0.0 109.844 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -72.67 -48.38 39.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.327 -0.858 . . . . 0.0 110.085 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.986 HD11 HD11 ' B' ' 22' ' ' LEU . 80.1 mt -54.34 -54.33 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 0.0 109.908 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -23.7 65.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.281 -0.887 . . . . 0.0 110.007 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.04 -49.88 11.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.317 -0.864 . . . . 0.0 110.159 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.433 ' HB3' HD23 ' B' ' 52' ' ' LEU . 4.4 mp -61.02 -44.65 97.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.92 . . . . 0.0 110.116 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.87 -46.46 74.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.293 -0.879 . . . . 0.0 110.081 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.32 -30.51 73.52 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.51 -25.69 65.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -1.12 . . . . 0.0 110.108 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.654 ' CE ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -63.44 -60.6 3.15 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.289 -0.882 . . . . 0.0 110.088 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 37.5 tpp -60.84 -31.03 70.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 0.0 110.143 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -76.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.268 -0.895 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.837 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 14.3 m-70 -54.8 -46.35 74.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.09 -1.006 . . . . 0.0 110.06 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.86 -41.28 61.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.148 -0.97 . . . . 0.0 109.841 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -36.17 71.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.324 -0.86 . . . . 0.0 109.372 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -91.6 18.58 7.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.672 HD23 ' CE ' ' A' ' 33' ' ' MET . 6.8 mp 55.26 24.39 6.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.459 -0.776 . . . . 0.0 110.682 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' B' ' 36' ' ' HIS . 2.2 mm-40 -67.73 -44.72 76.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.307 -0.871 . . . . 0.0 109.039 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.706 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 9.6 m-85 49.47 -178.03 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.588 -0.695 . . . . 0.0 111.026 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.502 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 29.3 tt0 66.13 -62.48 0.26 Allowed 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.7 0.762 . . . . 0.0 109.091 -178.545 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' B' ' 42' ' ' PHE . 14.7 pt-20 -82.55 -30.98 29.32 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.368 0.604 . . . . 0.0 109.78 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.837 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.71 -45.04 17.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 0.0 111.184 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.696 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -77.23 -19.58 56.44 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.186 -0.946 . . . . 0.0 111.076 -178.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 8.3 mm100 -70.55 -36.7 73.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.86 -1.15 . . . . 0.0 110.042 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.4 ' HB ' ' HG3' ' B' ' 33' ' ' MET . 60.9 mt -51.24 -28.69 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.211 -0.931 . . . . 0.0 109.881 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.41 ' NH2' ' CB ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -53.76 -24.22 14.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.427 -0.796 . . . . 0.0 109.293 179.319 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.41 ' CB ' ' NH2' ' B' ' 49' ' ' ARG . 13.3 t0 -78.84 -32.55 46.18 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.338 -0.851 . . . . 0.0 109.943 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -80.16 -46.71 15.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.302 -0.874 . . . . 0.0 109.964 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.545 HD13 ' O ' ' B' ' 52' ' ' LEU . 0.3 OUTLIER -59.33 -37.18 77.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.236 -0.915 . . . . 0.0 110.063 179.792 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -56.08 -51.62 67.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.31 -0.869 . . . . 0.0 110.066 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.13 -37.11 64.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.881 . . . . 0.0 110.075 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.86 -34.73 79.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.902 . . . . 0.0 110.1 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 ttt85 -53.56 -56.68 15.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.925 . . . . 0.0 110.129 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.62 -38.85 82.44 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.248 -0.908 . . . . 0.0 109.941 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.455 ' HA ' ' HB3' ' B' ' 61' ' ' ALA . 0.1 OUTLIER -53.31 -22.82 7.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -0.882 . . . . 0.0 110.204 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 59' ' ' PHE . . . . . 0.751 ' HA ' HD21 ' B' ' 22' ' ' LEU . 28.6 t80 -52.2 -54.28 32.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.07 -38.67 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.325 -0.859 . . . . 0.0 110.213 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' B' ' 58' ' ' LEU . . . -55.73 -22.77 25.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.273 -0.892 . . . . 0.0 110.227 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.78 -72.55 0.66 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.305 -0.872 . . . . 0.0 110.194 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.2 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 22' ' ' LEU . 56.1 Cg_endo . . . . . 0 N--CA 1.481 0.766 0 N-CA-C 111.662 -0.169 . . . . 0.0 111.662 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 67.25 -65.62 0.22 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.954 -1.091 . . . . 0.0 110.118 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -49.39 -49.29 45.29 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.12 -0.987 . . . . 0.0 109.669 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -66.33 -56.21 12.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.429 -0.794 . . . . 0.0 108.872 178.685 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -47.76 -51.94 20.47 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.3 0.571 . . . . 0.0 110.486 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -35.32 80.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.908 . . . . 0.0 110.213 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -66.39 -43.72 85.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.285 -0.885 . . . . 0.0 110.239 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.576 HD11 HD12 ' A' ' 22' ' ' LEU . 97.5 mt -69.02 -53.8 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.213 -0.929 . . . . 0.0 110.168 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -58.57 -23.04 57.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 110.16 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -65.82 0.64 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 0.0 110.156 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.74 -37.35 86.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 110.15 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -46.65 89.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.183 -0.948 . . . . 0.0 109.92 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.32 -31.69 62.95 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 33.7 tp -75.8 -31.65 59.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -1.124 . . . . 0.0 109.964 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.488 ' HE2' ' HB2' ' A' ' 49' ' ' ARG . 5.2 tmm? -80.18 -26.95 39.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.412 -0.805 . . . . 0.0 110.214 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.19 -44.77 19.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.261 -0.899 . . . . 0.0 110.767 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 36' ' ' HIS . 5.0 pt20 -54.33 -36.31 63.64 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.22 -0.925 . . . . 0.0 110.643 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.444 ' N ' ' HG3' ' A' ' 35' ' ' GLN . 40.1 m80 -80.19 -49.16 12.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.99 . . . . 0.0 110.237 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.902 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -50.59 -34.98 27.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.218 -0.926 . . . . 0.0 110.116 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -71.55 -38.66 70.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 109.926 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -92.31 20.07 6.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.248 -0.908 . . . . 0.0 110.105 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 53.78 24.17 4.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 110.448 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -108.02 14.77 24.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.303 -0.873 . . . . 0.0 110.089 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.069 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -76.75 27.49 0.13 Allowed 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.082 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.53 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 24.0 tt0 -56.23 -69.64 0.14 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.281 -1.512 . . . . 0.0 107.369 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 2.7 pt-20 -82.3 -20.06 38.18 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.639 -0.663 . . . . 0.0 109.43 177.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 1.069 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -72.45 -48.38 41.45 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.202 -0.937 . . . . 0.0 110.982 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.478 ' HB2' ' CD2' ' A' ' 42' ' ' PHE . . . -53.01 -34.02 54.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.107 -0.995 . . . . 0.0 110.462 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -53.82 -28.85 37.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.203 -0.935 . . . . 0.0 110.054 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.459 HG22 HD23 ' A' ' 52' ' ' LEU . 34.3 mm -52.36 -30.09 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.146 -0.971 . . . . 0.0 109.323 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.488 ' HB2' ' HE2' ' A' ' 33' ' ' MET . 0.0 OUTLIER -53.97 -26.45 25.88 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.701 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 3.6 t0 -68.63 -36.14 78.22 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.511 -0.743 . . . . 0.0 109.392 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.934 ' O ' HD12 ' A' ' 55' ' ' LEU . 63.9 mt-30 -78.91 -35.81 42.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.352 -0.842 . . . . 0.0 109.828 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' CD1' HG23 ' A' ' 26' ' ' ILE . 1.1 mm? -57.66 -26.0 61.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.406 -0.809 . . . . 0.0 110.144 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.45 -45.54 30.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 0.0 110.268 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.41 -39.89 95.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.274 -0.891 . . . . 0.0 110.241 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.934 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -56.2 -29.08 60.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.185 -0.947 . . . . 0.0 110.167 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -54.45 -45.49 73.11 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 0.0 110.115 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.42 -61.7 2.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.268 -0.895 . . . . 0.0 110.188 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mt -45.58 -25.67 0.49 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 0.0 111.344 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 28.8 t80 -48.96 -47.85 43.58 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.991 -1.068 . . . . 0.0 110.642 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.9 mt -63.54 -41.78 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.3 -0.875 . . . . 0.0 110.15 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.64 -20.58 34.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.311 -0.868 . . . . 0.0 110.169 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.183 -0.948 . . . . 0.0 110.203 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' B' ' 22' ' ' LEU . 56.5 Cg_endo . . . . . 0 N--CA 1.481 0.792 0 N-CA-C 111.741 -0.138 . . . . 0.0 111.741 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 67.3 -65.65 0.22 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.951 -1.093 . . . . 0.0 110.129 -179.673 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -49.35 -49.36 44.66 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.112 -0.993 . . . . 0.0 109.664 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.573 HD12 HD11 ' B' ' 26' ' ' ILE . 0.1 OUTLIER -66.37 -56.11 12.63 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.677 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -47.83 -51.85 21.21 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.264 0.554 . . . . 0.0 110.505 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -35.29 80.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.31 -0.869 . . . . 0.0 110.213 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -66.4 -43.76 84.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.265 -0.897 . . . . 0.0 110.222 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.573 HD11 HD12 ' B' ' 22' ' ' LEU . 97.5 mt -68.95 -53.95 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.923 . . . . 0.0 110.114 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -58.54 -23.05 57.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.275 -0.891 . . . . 0.0 110.151 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -65.83 0.63 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.861 . . . . 0.0 110.207 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.416 ' CB ' HD21 ' B' ' 52' ' ' LEU . 1.5 mp -65.75 -37.37 86.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.933 . . . . 0.0 110.103 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.72 -46.61 89.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.91 . . . . 0.0 109.932 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.35 -31.64 62.99 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.418 ' HA ' ' NE2' ' B' ' 35' ' ' GLN . 33.8 tp -75.85 -31.54 59.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -1.131 . . . . 0.0 110.026 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.477 ' HE2' ' HB2' ' B' ' 49' ' ' ARG . 5.2 tmm? -80.25 -26.89 38.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.356 -0.84 . . . . 0.0 110.221 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -44.8 19.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.374 -0.829 . . . . 0.0 110.69 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' B' ' 36' ' ' HIS . 5.0 pt20 -54.44 -36.28 63.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.157 -0.964 . . . . 0.0 110.564 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' B' ' 35' ' ' GLN . 40.6 m80 -80.13 -49.15 12.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.1 -1.0 . . . . 0.0 110.349 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.902 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -50.56 -35.08 28.1 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.245 -0.909 . . . . 0.0 110.047 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -71.45 -38.69 71.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.306 -0.871 . . . . 0.0 110.027 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -92.33 20.07 6.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 0.0 110.097 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 53.8 24.23 4.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.215 -0.928 . . . . 0.0 110.346 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -108.11 14.7 24.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.345 -0.847 . . . . 0.0 110.091 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 1.048 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 0.0 OUTLIER -76.56 27.29 0.13 Allowed 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -179.146 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.515 ' O ' ' NE2' ' B' ' 47' ' ' GLN . 23.9 tt0 -56.1 -69.64 0.14 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.299 -1.501 . . . . 0.0 107.441 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 2.7 pt-20 -82.29 -20.02 38.33 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.664 -0.647 . . . . 0.0 109.482 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 1.048 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -72.55 -48.42 40.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.209 -0.932 . . . . 0.0 110.947 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.479 ' HB2' ' CD2' ' B' ' 42' ' ' PHE . . . -52.89 -34.07 53.15 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.082 -1.011 . . . . 0.0 110.477 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' B' ' 43' ' ' GLU . 0.1 OUTLIER -53.81 -28.75 37.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.214 -0.929 . . . . 0.0 110.087 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.456 HG22 HD23 ' B' ' 52' ' ' LEU . 34.5 mm -52.42 -29.98 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.132 -0.98 . . . . 0.0 109.348 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.477 ' HB2' ' HE2' ' B' ' 33' ' ' MET . 0.0 OUTLIER -54.01 -26.49 26.55 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -68.66 -36.19 78.23 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.44 -0.788 . . . . 0.0 109.326 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.943 ' O ' HD12 ' B' ' 55' ' ' LEU . 63.8 mt-30 -78.94 -35.79 42.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.325 -0.859 . . . . 0.0 109.795 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.485 ' CD1' HG23 ' B' ' 26' ' ' ILE . 1.1 mm? -57.64 -26.03 61.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.372 -0.83 . . . . 0.0 110.193 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.36 -45.63 31.09 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.295 -0.878 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.24 -40.03 96.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.943 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.4 OUTLIER -56.16 -29.15 60.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.903 . . . . 0.0 110.19 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' B' ' 59' ' ' PHE . 0.5 OUTLIER -54.32 -45.6 72.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.236 -0.915 . . . . 0.0 110.137 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.44 -61.63 2.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.283 -0.886 . . . . 0.0 110.174 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mt -45.63 -25.59 0.49 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.568 -0.707 . . . . 0.0 111.32 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' B' ' 56' ' ' ARG . 28.9 t80 -48.99 -47.98 43.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.962 -1.087 . . . . 0.0 110.584 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 16.9 mt -63.38 -41.86 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.171 -0.956 . . . . 0.0 110.16 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.69 -20.49 34.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.203 -0.936 . . . . 0.0 110.181 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.36 -64.53 1.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.188 -0.945 . . . . 0.0 110.19 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.213 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 21' ' ' ALA . 49.1 Cg_endo . . . . . 0 N--CA 1.49 1.313 0 N-CA-C 111.57 -0.204 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' CD ' ' C ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 56.42 -74.31 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.567 -0.708 . . . . 0.0 111.252 178.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -48.16 -47.16 35.15 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.977 -1.077 . . . . 0.0 109.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.475 ' HB2' ' HG2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -66.3 -50.69 62.8 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.369 -0.832 . . . . 0.0 109.173 178.771 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -51.46 -56.78 11.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.721 -0.612 . . . . 0.0 110.361 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -43.92 97.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.323 -0.861 . . . . 0.0 110.311 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -52.91 -50.54 63.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.227 -0.921 . . . . 0.0 110.361 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.743 HG23 ' CD1' ' A' ' 52' ' ' LEU . 90.7 mt -66.64 -58.26 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 0.0 110.294 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -55.14 -21.29 12.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 110.358 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.64 -44.81 26.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 0.0 110.302 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.581 ' HB2' HD21 ' A' ' 52' ' ' LEU . 13.9 mt -75.14 -40.82 59.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.226 -0.921 . . . . 0.0 110.348 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -41.23 79.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.216 -0.928 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.83 -27.31 73.98 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 tp -80.0 -27.66 39.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.204 -1.174 . . . . 0.0 110.237 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.935 ' HE2' HD21 ' B' ' 40' ' ' LEU . 4.7 tmm? -73.51 -56.95 4.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.955 . . . . 0.0 110.292 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.48 -37.11 64.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -0.881 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -73.9 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.23 -0.919 . . . . 0.0 110.318 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.863 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 14.7 m-70 -47.11 -54.16 11.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.315 -0.866 . . . . 0.0 110.878 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.79 48.75 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.08 -1.013 . . . . 0.0 109.719 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -68.27 -31.8 71.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.397 -0.814 . . . . 0.0 109.237 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -90.46 15.17 11.2 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.524 -0.735 . . . . 0.0 109.836 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.848 HD21 ' CE ' ' B' ' 33' ' ' MET . 0.2 OUTLIER 59.78 27.96 17.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.324 -0.86 . . . . 0.0 111.092 179.788 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 3.6 mm-40 -77.63 -45.87 23.79 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.022 . . . . 0.0 109.104 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.699 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 3.5 m-85 49.47 -178.41 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.585 -0.697 . . . . 0.0 111.094 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 45.8 tt0 66.12 -62.68 0.25 Allowed 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 121.767 0.794 . . . . 0.0 109.113 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' CD ' ' CD2' ' A' ' 36' ' ' HIS . 16.8 pt-20 -82.15 -30.4 31.06 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-O 121.377 0.608 . . . . 0.0 109.553 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.863 ' HB2' ' HB2' ' A' ' 36' ' ' HIS . . . -80.58 -48.39 12.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.327 -0.858 . . . . 0.0 110.893 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -69.13 -19.83 64.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -0.952 . . . . 0.0 110.429 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.72 -50.18 12.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.098 -1.001 . . . . 0.0 109.67 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.4 mt -51.61 -32.4 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.206 -0.934 . . . . 0.0 109.566 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.407 ' NH2' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -54.22 -24.8 19.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.506 -0.746 . . . . 0.0 109.214 178.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' CB ' ' NH2' ' A' ' 49' ' ' ARG . 12.2 t0 -80.07 -29.7 39.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.34 -0.85 . . . . 0.0 109.852 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.11 -40.45 68.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.326 -0.859 . . . . 0.0 110.069 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.743 ' CD1' HG23 ' A' ' 26' ' ' ILE . 1.2 mm? -53.18 -30.62 38.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.201 -0.937 . . . . 0.0 110.093 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -37.81 33.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -0.906 . . . . 0.0 109.996 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.73 -39.31 84.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.299 -0.875 . . . . 0.0 110.111 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -21.18 59.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.33 -0.856 . . . . 0.0 110.225 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ttt85 -52.83 -51.89 59.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.221 -0.925 . . . . 0.0 110.213 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.34 -44.26 79.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 0.0 110.031 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -22.74 8.29 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.31 -0.869 . . . . 0.0 110.164 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -52.64 -38.96 61.25 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.243 -0.91 . . . . 0.0 110.251 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.4 mt -71.85 -36.16 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.214 -0.929 . . . . 0.0 110.188 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.39 -21.92 66.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.217 -0.927 . . . . 0.0 110.159 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.249 -0.907 . . . . 0.0 110.234 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' B' ' 21' ' ' ALA . 50.8 Cg_endo . . . . . 0 N--CA 1.489 1.224 0 N-CA-C 111.614 -0.187 . . . . 0.0 111.614 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.417 ' CD ' ' C ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 56.33 -74.3 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.406 0 O-C-N 121.564 -0.71 . . . . 0.0 111.322 178.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -48.24 -47.11 36.11 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.962 -1.086 . . . . 0.0 109.892 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.473 ' HB2' ' HG2' ' B' ' 19' ' ' PRO . 0.1 OUTLIER -66.28 -50.73 62.68 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.44 -0.787 . . . . 0.0 109.168 178.786 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -51.46 -56.77 11.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.694 -0.629 . . . . 0.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -43.91 97.99 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 0.0 110.335 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -52.83 -50.63 63.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 0.0 110.37 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.749 HG23 ' CD1' ' B' ' 52' ' ' LEU . 90.7 mt -66.57 -58.28 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.252 -0.905 . . . . 0.0 110.338 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -55.16 -21.33 13.05 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.221 -0.924 . . . . 0.0 110.302 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.56 -44.89 27.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.941 . . . . 0.0 110.317 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.581 ' HB2' HD21 ' B' ' 52' ' ' LEU . 13.8 mt -75.05 -41.01 59.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.212 -0.93 . . . . 0.0 110.262 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -41.18 79.43 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.302 -0.874 . . . . 0.0 110.234 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.87 -27.25 74.04 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 tp -80.09 -27.62 39.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.271 -1.135 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' MET . . . . . 0.848 ' CE ' HD21 ' A' ' 40' ' ' LEU . 4.7 tmm? -73.46 -56.9 4.43 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.934 . . . . 0.0 110.297 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.59 -37.12 65.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.164 -0.96 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.62 -73.87 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.313 -0.867 . . . . 0.0 110.325 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.843 ' HB2' ' HB2' ' B' ' 45' ' ' ALA . 15.1 m-70 -47.06 -54.21 10.88 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.41 -0.806 . . . . 0.0 110.889 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.81 -43.79 48.83 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.102 -0.999 . . . . 0.0 109.66 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -68.23 -31.81 71.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.361 -0.837 . . . . 0.0 109.291 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -90.56 15.31 11.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.447 -0.783 . . . . 0.0 109.806 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.935 HD21 ' HE2' ' A' ' 33' ' ' MET . 0.2 OUTLIER 59.79 27.9 17.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.315 -0.866 . . . . 0.0 111.1 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.451 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 3.6 mm-40 -77.55 -45.99 23.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.072 -1.018 . . . . 0.0 109.136 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.7 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 3.5 m-85 49.58 -178.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.597 -0.689 . . . . 0.0 111.085 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 45.9 tt0 66.04 -62.55 0.25 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.78 0.8 . . . . 0.0 109.128 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.471 ' CD ' ' CD2' ' B' ' 36' ' ' HIS . 16.8 pt-20 -82.16 -30.4 31.03 Favored 'General case' 0 C--N 1.29 -1.978 0 CA-C-O 121.366 0.603 . . . . 0.0 109.559 178.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.843 ' HB2' ' HB2' ' B' ' 36' ' ' HIS . . . -80.57 -48.47 12.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.911 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.699 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -69.14 -19.82 64.03 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.909 . . . . 0.0 110.412 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.64 -50.24 12.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.135 -0.978 . . . . 0.0 109.713 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 69.5 mt -51.54 -32.47 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.256 -0.902 . . . . 0.0 109.459 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.409 ' NH2' ' HB2' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -54.28 -24.67 19.81 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.49 -0.756 . . . . 0.0 109.141 179.065 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.409 ' HB2' ' NH2' ' B' ' 49' ' ' ARG . 12.3 t0 -80.24 -29.58 38.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 0.0 109.808 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.21 -40.4 67.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.308 -0.87 . . . . 0.0 110.034 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.749 ' CD1' HG23 ' B' ' 26' ' ' ILE . 1.2 mm? -53.24 -30.56 38.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 0.0 110.085 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -37.73 33.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.338 -0.851 . . . . 0.0 110.097 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -67.79 -39.24 84.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.883 . . . . 0.0 110.12 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -21.23 59.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.909 . . . . 0.0 110.192 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ttt85 -52.82 -51.94 58.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.206 -0.934 . . . . 0.0 110.258 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.29 -44.18 79.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 110.111 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -22.88 7.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.367 -0.833 . . . . 0.0 110.205 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -52.63 -38.96 61.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.279 -0.888 . . . . 0.0 110.228 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 29.3 mt -71.81 -36.21 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.254 -0.904 . . . . 0.0 110.138 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.37 -21.83 66.51 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.317 -0.865 . . . . 0.0 110.177 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.13 -66.45 0.91 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.182 -0.948 . . . . 0.0 110.179 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.229 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.487 ' HG2' HD13 ' A' ' 22' ' ' LEU . 49.4 Cg_endo . . . . . 0 C--O 1.215 -0.671 0 CA-C-O 120.775 0.239 . . . . 0.0 111.654 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 19' ' ' PRO . 11.2 tmtt? 63.83 -68.83 0.09 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.194 -0.941 . . . . 0.0 111.504 179.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.97 -48.3 21.62 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.094 -1.004 . . . . 0.0 110.984 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 22' ' ' LEU . 10.2 mp -80.75 -37.76 29.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.294 -0.879 . . . . 0.0 109.38 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -50.35 -53.29 30.06 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.783 -0.573 . . . . 0.0 110.524 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -66.8 -41.65 87.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.161 -0.962 . . . . 0.0 110.393 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -62.17 -38.3 88.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 110.436 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.511 HG23 ' CD1' ' A' ' 52' ' ' LEU . 95.3 mt -80.06 -43.76 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.22 -0.925 . . . . 0.0 110.47 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -65.63 -31.52 72.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.241 -0.912 . . . . 0.0 110.535 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -80.11 -37.89 32.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.156 -0.965 . . . . 0.0 110.445 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.567 ' HB3' HD23 ' A' ' 52' ' ' LEU . 35.5 mt -73.13 -34.09 65.91 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.167 -0.958 . . . . 0.0 110.441 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.04 -50.22 74.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.0 110.452 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.37 -29.08 73.0 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 32' ' ' LEU . 7.9 tp -63.49 -30.4 71.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.153 -1.204 . . . . 0.0 110.392 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mtp -62.6 -58.23 8.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 0.0 110.418 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 ttm -57.92 -43.29 86.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.277 -0.89 . . . . 0.0 110.473 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -75.7 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.236 -0.915 . . . . 0.0 110.559 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.762 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 15.6 m-70 -50.83 -54.65 21.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.207 -0.933 . . . . 0.0 110.569 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.41 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -48.02 -41.17 24.91 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.178 -0.951 . . . . 0.0 110.177 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -61.94 -33.53 74.44 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.276 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -91.77 18.52 7.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.43 -0.794 . . . . 0.0 109.606 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.445 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.0 mp 55.83 23.52 6.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.416 -0.803 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 36' ' ' HIS . 2.9 mm-40 -67.29 -47.52 70.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.164 -0.96 . . . . 0.0 108.95 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.697 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 3.9 m-85 48.29 -176.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.682 -0.636 . . . . 0.0 111.247 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 26.4 tt0 65.6 -63.62 0.21 Allowed 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 121.75 0.786 . . . . 0.0 109.151 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' PHE . 14.2 pt-20 -82.63 -29.8 29.86 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-O 121.406 0.622 . . . . 0.0 109.839 178.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.762 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -80.76 -47.11 14.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.334 -0.854 . . . . 0.0 111.288 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.693 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -73.3 -37.76 66.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.15 -0.969 . . . . 0.0 110.779 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 8.2 mm-40 -52.96 -23.11 6.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.9 -1.125 . . . . 0.0 110.245 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.61 -27.98 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.361 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -54.29 -25.79 25.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.02 -1.05 . . . . 0.0 109.93 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.02 -38.85 31.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.359 -0.838 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -75.85 -45.88 33.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.908 . . . . 0.0 110.204 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.567 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -58.5 -36.96 74.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.237 -0.914 . . . . 0.0 110.138 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 2.5 t-80 -71.44 -39.11 71.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.912 . . . . 0.0 110.099 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -71.48 -38.57 71.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.905 . . . . 0.0 109.991 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -60.2 -27.82 67.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -0.869 . . . . 0.0 110.032 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -62.34 -70.63 0.19 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 0.0 109.503 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.608 ' O ' HD12 ' A' ' 60' ' ' ILE . 14.6 mt-10 -51.02 -38.35 50.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.484 -0.76 . . . . 0.0 110.0 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.19 -21.46 13.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.313 -0.867 . . . . 0.0 110.079 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -49.89 -44.68 50.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.248 -0.908 . . . . 0.0 110.287 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.6 mp -67.17 -38.12 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.0 110.107 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -22.13 65.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.266 -0.896 . . . . 0.0 110.059 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.351 -0.843 . . . . 0.0 110.127 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.493 ' HG2' HD13 ' B' ' 22' ' ' LEU . 48.8 Cg_endo . . . . . 0 CA--C 1.538 0.722 0 CA-C-O 120.752 0.23 . . . . 0.0 111.631 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' B' ' 19' ' ' PRO . 11.2 tmtt? 63.88 -68.8 0.09 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.224 -0.922 . . . . 0.0 111.424 179.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.97 -48.32 21.64 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.071 -1.018 . . . . 0.0 110.95 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.634 ' N ' HD12 ' B' ' 22' ' ' LEU . 10.2 mp -80.82 -37.79 29.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 0.0 109.314 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -50.34 -53.14 31.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.765 -0.584 . . . . 0.0 110.615 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -66.87 -41.73 86.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.144 -0.972 . . . . 0.0 110.345 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -62.12 -38.26 88.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.137 -0.977 . . . . 0.0 110.438 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.502 HG23 ' CD1' ' B' ' 52' ' ' LEU . 95.3 mt -80.1 -43.86 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.924 . . . . 0.0 110.463 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -65.61 -31.45 72.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.243 -0.911 . . . . 0.0 110.551 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -80.01 -38.02 32.92 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.147 -0.971 . . . . 0.0 110.438 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.57 ' HB3' HD23 ' B' ' 52' ' ' LEU . 35.4 mt -73.08 -34.19 66.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.194 -0.941 . . . . 0.0 110.408 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.02 -50.17 74.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 110.457 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.38 -29.11 73.0 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.56 -30.33 71.46 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.172 -1.193 . . . . 0.0 110.369 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mtp -62.62 -58.17 8.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.152 -0.968 . . . . 0.0 110.466 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.8 ttm -58.02 -43.11 86.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.274 -0.892 . . . . 0.0 110.555 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.18 -75.81 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.196 -0.94 . . . . 0.0 110.556 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' HIS . . . . . 0.763 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 15.7 m-70 -50.83 -54.63 22.09 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.259 -0.901 . . . . 0.0 110.562 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.41 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -48.04 -41.11 24.9 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.214 -0.929 . . . . 0.0 110.199 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -62.06 -33.33 74.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.202 -0.936 . . . . 0.0 109.313 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -91.85 18.43 7.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.774 . . . . 0.0 109.615 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.435 ' N ' HD12 ' B' ' 40' ' ' LEU . 6.0 mp 55.94 23.53 6.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.475 -0.766 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.37 -47.51 70.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 108.928 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.693 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 3.9 m-85 48.35 -176.32 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.667 -0.645 . . . . 0.0 111.224 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.488 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 26.4 tt0 65.65 -63.57 0.21 Allowed 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.735 0.779 . . . . 0.0 109.127 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' B' ' 42' ' ' PHE . 14.1 pt-20 -82.69 -29.81 29.64 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-O 121.371 0.605 . . . . 0.0 109.836 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.763 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.81 -47.0 14.47 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.399 -0.813 . . . . 0.0 111.243 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.697 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -73.29 -37.81 66.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.205 -0.935 . . . . 0.0 110.864 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 8.2 mm-40 -52.95 -23.12 6.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.99 -1.069 . . . . 0.0 110.208 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 90.6 mt -64.62 -27.94 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.32 -0.862 . . . . 0.0 110.363 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.2 OUTLIER -54.38 -25.63 25.52 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.06 -1.025 . . . . 0.0 109.951 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.09 -38.79 30.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.355 -0.841 . . . . 0.0 110.111 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -75.98 -45.9 32.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.908 . . . . 0.0 110.096 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -58.55 -36.84 74.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.235 -0.916 . . . . 0.0 110.166 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 53' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' B' ' 49' ' ' ARG . 2.5 t-80 -71.42 -39.25 71.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -0.91 . . . . 0.0 110.05 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -71.38 -38.65 71.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 110.052 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.411 ' HB3' HG12 ' B' ' 26' ' ' ILE . 43.0 mt -60.18 -27.95 67.54 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.293 -0.879 . . . . 0.0 109.962 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -62.27 -70.55 0.19 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 0.0 109.562 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.609 ' O ' HD12 ' B' ' 60' ' ' ILE . 14.5 mt-10 -51.05 -38.3 50.7 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.481 -0.762 . . . . 0.0 110.025 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.25 -21.39 14.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.332 -0.855 . . . . 0.0 110.113 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -49.91 -44.68 50.32 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.199 -0.938 . . . . 0.0 110.268 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.609 HD12 ' O ' ' B' ' 57' ' ' GLU . 2.6 mp -67.21 -38.16 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.181 -0.95 . . . . 0.0 110.015 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.1 -22.22 65.63 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.2 -0.938 . . . . 0.0 110.077 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.68 -67.93 0.84 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.354 -0.841 . . . . 0.0 110.269 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' SER . . . . . 0.408 ' HB2' ' HB3' ' B' ' 19' ' ' PRO . 35.2 t . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.215 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.255 0.55 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.817 ' O ' HG23 ' A' ' 13' ' ' VAL . 2.9 mt-10 53.03 52.05 9.97 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.281 -0.887 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 46.7 Cg_endo -73.02 -46.62 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.662 1.348 . . . . 0.0 110.389 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -59.7 -19.96 53.17 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.269 -0.894 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 3.8 t30 -108.27 14.74 24.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.191 -0.943 . . . . 0.0 110.443 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 9' ' ' GLU . 2.3 t -87.97 -48.3 0.45 Allowed Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.058 -1.026 . . . . 0.0 110.162 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 44.6 Cg_endo -82.31 -82.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.35 0 O-C-N 123.239 1.126 . . . . 0.0 110.156 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -176.33 -172.02 0.45 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.154 -0.966 . . . . 0.0 110.124 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -159.29 38.22 0.2 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.22 -0.925 . . . . 0.0 110.266 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -55.88 -39.85 72.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.24 -0.913 . . . . 0.0 110.156 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.2 m -156.75 164.4 21.75 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.27 -0.894 . . . . 0.0 110.115 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.579 ' HG3' HD23 ' A' ' 22' ' ' LEU . 43.7 Cg_endo -69.9 -7.23 20.59 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.697 1.367 . . . . 0.0 111.489 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? 63.79 -70.31 0.07 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.402 -0.812 . . . . 0.0 110.953 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -52.03 -60.34 3.31 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.906 -1.121 . . . . 0.0 109.846 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.004 HD11 HD11 ' A' ' 26' ' ' ILE . 4.2 tp -56.69 -61.38 2.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.0 109.218 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -49.57 -34.03 16.59 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.389 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -72.39 -36.56 68.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.271 -0.893 . . . . 0.0 110.044 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -45.55 61.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.269 -0.894 . . . . 0.0 110.076 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 1.004 HD11 HD11 ' A' ' 22' ' ' LEU . 71.6 mt -54.63 -55.06 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 110.116 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.56 -22.3 63.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.278 -0.889 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -43.45 21.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.299 -0.875 . . . . 0.0 110.389 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.469 ' HB3' HD23 ' A' ' 52' ' ' LEU . 14.7 mt -71.19 -43.21 67.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.245 -0.909 . . . . 0.0 110.433 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.678 ' N ' HD21 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -61.22 -43.39 98.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.239 -0.913 . . . . 0.0 110.324 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.89 -22.05 70.0 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD23 HD11 ' A' ' 48' ' ' ILE . 9.0 tp -73.8 -39.88 63.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -1.187 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.661 ' HE1' HD23 ' B' ' 40' ' ' LEU . 9.7 mtp -53.06 -51.66 61.05 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -0.951 . . . . 0.0 110.379 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.468 ' HE1' ' HA ' ' B' ' 38' ' ' GLN . 1.0 OUTLIER -49.23 -45.22 44.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.266 -0.896 . . . . 0.0 110.654 -179.68 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.07 -74.83 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.18 -0.95 . . . . 0.0 110.425 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.535 ' ND1' ' HB2' ' A' ' 45' ' ' ALA . 2.3 m170 -54.89 -54.98 35.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.252 -0.905 . . . . 0.0 110.759 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.96 -30.62 2.67 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.295 -0.878 . . . . 0.0 110.126 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.541 ' HA ' ' HE1' ' B' ' 34' ' ' MET . 16.1 mt-30 -80.14 -34.55 37.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.37 -0.831 . . . . 0.0 109.256 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -95.34 24.65 4.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.441 -0.787 . . . . 0.0 109.624 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.859 HD23 ' HE1' ' B' ' 33' ' ' MET . 4.1 mp 55.11 30.47 14.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.453 -0.78 . . . . 0.0 110.767 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . 6.1 mm-40 -110.03 20.63 17.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.158 -0.963 . . . . 0.0 109.834 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.993 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.6 p90 -61.26 -8.82 4.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.567 -0.708 . . . . 0.0 112.029 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -48.93 -68.44 0.18 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.579 -1.326 . . . . 0.0 109.373 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -81.4 -19.21 43.09 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.551 -0.718 . . . . 0.0 109.65 178.28 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.993 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -77.05 -51.47 11.01 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.358 -0.839 . . . . 0.0 111.593 -179.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.732 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -51.39 -23.47 3.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.977 -1.077 . . . . 0.0 110.531 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -54.79 -32.4 60.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.035 -1.04 . . . . 0.0 109.593 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.496 HD11 HD23 ' A' ' 32' ' ' LEU . 36.4 mt -54.18 -28.4 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.339 -0.851 . . . . 0.0 109.335 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -48.72 -33.98 11.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.465 -0.772 . . . . 0.0 109.733 179.267 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -71.87 -37.46 70.19 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.35 -0.844 . . . . 0.0 109.788 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.654 ' O ' HD12 ' A' ' 55' ' ' LEU . 20.1 mt-30 -80.15 -34.93 37.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.847 . . . . 0.0 109.987 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.678 HD21 ' N ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -66.75 -36.88 83.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.275 -0.891 . . . . 0.0 110.185 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -77.1 -44.64 29.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.888 . . . . 0.0 110.2 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.15 -44.55 91.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.212 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 51' ' ' GLN . 15.8 mt -65.39 -24.19 67.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.178 -0.952 . . . . 0.0 110.166 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -61.31 -62.03 2.12 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.225 -0.922 . . . . 0.0 110.15 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -54.41 -37.91 65.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.0 110.146 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 55' ' ' LEU . 43.4 mt -64.7 -19.85 65.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.783 ' HA ' HD21 ' A' ' 22' ' ' LEU . 44.4 t80 -51.21 -45.0 61.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -76.92 -49.11 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.218 -0.926 . . . . 0.0 110.155 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.79 -24.46 15.4 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.226 -0.921 . . . . 0.0 110.163 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.67 -74.64 0.38 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 110.205 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.227 179.941 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.26 0.552 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.828 ' O ' HG23 ' B' ' 13' ' ' VAL . 2.9 mt-10 53.19 51.95 9.67 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.249 -0.907 . . . . 0.0 110.238 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' B' ' 9' ' ' GLU . 46.7 Cg_endo -73.01 -46.69 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 O-C-N 123.711 1.374 . . . . 0.0 110.384 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -59.63 -19.95 52.65 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.269 -0.894 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.412 ' O ' ' ND2' ' B' ' 12' ' ' ASN . 3.7 t30 -108.34 14.83 24.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.23 -0.919 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.828 HG23 ' O ' ' B' ' 9' ' ' GLU . 2.3 t -88.04 -48.2 0.45 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.081 -1.012 . . . . 0.0 110.104 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.521 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 44.8 Cg_endo -82.35 -82.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 O-C-N 123.33 1.174 . . . . 0.0 110.224 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -176.18 -172.09 0.47 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.106 -0.996 . . . . 0.0 110.145 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -159.17 38.09 0.21 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.183 -0.948 . . . . 0.0 110.254 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -55.82 -39.88 72.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.252 -0.905 . . . . 0.0 110.221 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 58.1 m -156.75 164.38 21.81 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.25 -0.906 . . . . 0.0 110.128 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.579 ' HG3' HD23 ' B' ' 22' ' ' LEU . 43.8 Cg_endo -69.9 -7.15 20.37 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 O-C-N 123.685 1.36 . . . . 0.0 111.514 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? 63.73 -70.38 0.07 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.394 -0.816 . . . . 0.0 110.961 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -52.04 -60.26 3.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.908 -1.12 . . . . 0.0 109.934 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.988 HD11 HD11 ' B' ' 26' ' ' ILE . 4.1 tp -56.74 -61.37 2.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.395 -0.815 . . . . 0.0 109.222 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -49.59 -34.02 16.71 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.396 -0.815 . . . . 0.0 110.382 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -72.4 -36.53 68.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.272 -0.893 . . . . 0.0 110.048 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -45.4 61.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.238 -0.913 . . . . 0.0 110.136 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.988 HD11 HD11 ' B' ' 22' ' ' LEU . 71.5 mt -54.75 -54.95 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.376 -0.828 . . . . 0.0 110.117 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.64 -22.3 63.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.895 . . . . 0.0 110.275 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -43.67 20.81 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.275 -0.891 . . . . 0.0 110.345 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.471 ' CB ' ' CD2' ' B' ' 52' ' ' LEU . 14.6 mt -71.01 -43.29 68.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.223 -0.923 . . . . 0.0 110.451 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.681 ' N ' HD21 ' B' ' 52' ' ' LEU . 0.5 OUTLIER -61.27 -43.23 99.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 0.0 110.263 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.83 -22.31 70.09 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.489 HD23 HD11 ' B' ' 48' ' ' ILE . 8.9 tp -73.66 -40.13 63.94 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.227 -1.161 . . . . 0.0 110.307 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.859 ' HE1' HD23 ' A' ' 40' ' ' LEU . 9.9 mtp -52.77 -51.66 59.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.215 -0.928 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.541 ' HE1' ' HA ' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -49.22 -45.43 44.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.327 -0.858 . . . . 0.0 110.632 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -75.01 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.269 -0.894 . . . . 0.0 110.468 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.533 ' ND1' ' HB2' ' B' ' 45' ' ' ALA . 2.3 m170 -54.77 -54.85 36.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.746 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.08 -30.86 2.99 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.261 -0.9 . . . . 0.0 110.139 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.468 ' HA ' ' HE1' ' A' ' 34' ' ' MET . 16.2 mt-30 -79.85 -34.61 39.18 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 109.204 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -95.26 24.72 4.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.478 -0.764 . . . . 0.0 109.651 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.661 HD23 ' HE1' ' A' ' 33' ' ' MET . 4.1 mp 55.04 30.31 13.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.514 -0.741 . . . . 0.0 110.803 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' B' ' 36' ' ' HIS . 6.0 mm-40 -109.89 20.73 17.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.179 -0.951 . . . . 0.0 109.824 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.974 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 5.8 p90 -61.38 -8.6 4.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.541 -0.724 . . . . 0.0 112.022 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -49.02 -68.43 0.18 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.537 -1.352 . . . . 0.0 109.443 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 0.3 OUTLIER -81.53 -19.23 42.57 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.581 -0.699 . . . . 0.0 109.608 178.327 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.974 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -76.89 -51.54 11.06 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.339 -0.851 . . . . 0.0 111.533 -179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.718 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -50.96 -23.9 3.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.089 -1.007 . . . . 0.0 110.579 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -54.71 -32.55 59.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.119 -0.988 . . . . 0.0 109.61 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.489 HD11 HD23 ' B' ' 32' ' ' LEU . 36.2 mt -54.09 -28.43 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.367 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -48.68 -34.01 11.09 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.507 -0.746 . . . . 0.0 109.777 179.272 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -71.85 -37.44 70.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.3 -0.875 . . . . 0.0 109.801 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.654 ' O ' HD12 ' B' ' 55' ' ' LEU . 20.2 mt-30 -80.16 -34.83 37.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.28 -0.888 . . . . 0.0 110.004 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.681 HD21 ' N ' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -66.8 -36.9 83.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.181 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -77.11 -44.53 30.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.247 -0.908 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -64.21 -44.48 91.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.248 -0.908 . . . . 0.0 110.272 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.654 HD12 ' O ' ' B' ' 51' ' ' GLN . 15.7 mt -65.41 -24.21 67.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.192 -0.943 . . . . 0.0 110.206 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -61.25 -62.15 2.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.93 . . . . 0.0 110.196 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -54.33 -37.94 65.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.272 -0.893 . . . . 0.0 110.151 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' B' ' 55' ' ' LEU . 43.4 mt -64.64 -19.87 65.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' PHE . . . . . 0.777 ' HA ' HD21 ' B' ' 22' ' ' LEU . 44.3 t80 -51.27 -44.93 61.93 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.139 -0.976 . . . . 0.0 110.421 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.6 mt -76.93 -49.13 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.279 -0.888 . . . . 0.0 110.153 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.81 -24.48 15.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.895 . . . . 0.0 110.124 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.62 -74.64 0.38 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.312 -0.868 . . . . 0.0 110.166 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.2 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 8' ' ' LEU . 6.7 mp . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.236 0.541 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 53.05 70.87 1.62 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.296 -0.878 . . . . 0.0 110.241 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.5 Cg_endo -72.98 -46.56 0.38 Allowed 'Trans proline' 0 C--N 1.311 -1.403 0 O-C-N 123.676 1.356 . . . . 0.0 110.489 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.8 -82.52 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.477 -0.764 . . . . 0.0 110.246 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 10' ' ' PRO . 12.7 p30 -152.34 18.93 0.65 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 110.512 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.556 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.8 t -85.54 -61.93 0.26 Allowed Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.128 -0.983 . . . . 0.0 110.224 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.556 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 48.6 Cg_endo -74.39 -45.93 0.31 Allowed 'Trans proline' 0 C--N 1.312 -1.343 0 O-C-N 123.248 1.131 . . . . 0.0 110.107 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.8 -163.64 0.1 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.426 -0.796 . . . . 0.0 110.136 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -133.15 41.67 3.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.201 -0.937 . . . . 0.0 110.224 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.2 ptm -60.11 -32.35 70.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -0.9 . . . . 0.0 110.13 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.438 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 3.0 m -157.39 166.32 16.85 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.196 -0.94 . . . . 0.0 110.113 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HG2' HD13 ' A' ' 22' ' ' LEU . 45.5 Cg_endo -85.29 17.43 1.76 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 O-C-N 123.721 1.379 . . . . 0.0 111.659 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.18 -67.55 0.11 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.303 -0.873 . . . . 0.0 111.573 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.89 -45.61 15.34 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.171 -0.955 . . . . 0.0 111.009 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.656 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.3 mp -80.51 -47.47 14.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.193 -0.942 . . . . 0.0 109.499 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.438 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 10.7 tt0 -52.47 -54.93 25.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.697 -0.627 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -62.53 -46.77 86.86 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 0.0 110.198 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -58.21 -51.69 68.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 110.304 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.42 -58.23 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.25 -0.906 . . . . 0.0 110.182 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -60.7 -28.01 68.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.174 -0.954 . . . . 0.0 110.331 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -80.06 -40.61 27.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.231 -0.918 . . . . 0.0 110.418 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.643 ' O ' HG21 ' A' ' 48' ' ' ILE . 40.0 mt -72.93 -36.7 67.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.223 -0.923 . . . . 0.0 110.327 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' N ' HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -68.04 -46.58 70.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.187 -0.946 . . . . 0.0 110.126 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.43 -34.75 64.05 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.613 HD12 ' CD ' ' A' ' 35' ' ' GLN . 22.2 tp -67.93 -37.58 81.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.199 -1.177 . . . . 0.0 110.031 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.531 ' HA ' ' HB1' ' A' ' 45' ' ' ALA . 2.5 ttp -67.21 -23.5 65.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.833 . . . . 0.0 110.219 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.09 -58.09 3.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.35 -0.844 . . . . 0.0 110.536 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.613 ' CD ' HD12 ' A' ' 32' ' ' LEU . 8.0 pt20 -49.73 -33.64 16.71 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.109 -0.994 . . . . 0.0 110.391 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.562 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 33.8 m-70 -80.09 -57.1 3.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.266 -0.896 . . . . 0.0 110.1 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.584 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -48.85 -27.34 2.97 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.262 -0.898 . . . . 0.0 110.031 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -78.23 -39.39 40.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 0.0 109.419 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.54 28.96 2.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.41 -0.806 . . . . 0.0 109.567 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp 55.09 27.37 9.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.6 -0.688 . . . . 0.0 110.595 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -101.55 15.04 30.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.227 -0.92 . . . . 0.0 109.982 179.363 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.032 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.1 p90 -58.79 -13.73 6.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 111.258 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -49.32 -62.92 1.28 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.571 -1.331 . . . . 0.0 109.557 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 3.9 pt-20 -82.78 -19.84 37.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.994 -1.066 . . . . 0.0 109.601 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 1.032 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -79.03 -58.72 3.1 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 111.494 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.677 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -42.45 -28.46 0.21 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.483 -0.761 . . . . 0.0 111.147 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.74 -31.19 70.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.002 -1.061 . . . . 0.0 109.701 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.891 HG22 HD23 ' A' ' 52' ' ' LEU . 95.8 mt -53.69 -32.27 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.173 -0.954 . . . . 0.0 109.365 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -34.13 5.18 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.722 -0.611 . . . . 0.0 109.697 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.05 -39.41 86.9 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.348 -0.845 . . . . 0.0 109.146 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.843 ' O ' HD12 ' A' ' 55' ' ' LEU . 60.2 mt-30 -80.15 -33.61 38.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.426 -0.797 . . . . 0.0 109.537 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.891 HD23 HG22 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -67.33 -37.08 82.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.376 -0.828 . . . . 0.0 109.907 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -78.07 -48.86 15.13 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.325 -0.859 . . . . 0.0 110.129 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.08 -35.95 72.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.233 -0.917 . . . . 0.0 110.1 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.843 HD12 ' O ' ' A' ' 51' ' ' GLN . 4.5 mt -70.04 -27.12 64.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.293 -0.879 . . . . 0.0 110.087 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -53.92 44.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 110.092 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.34 -30.49 68.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.288 -0.883 . . . . 0.0 110.1 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 58' ' ' LEU . 26.2 mt -69.43 -20.01 63.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.219 -0.926 . . . . 0.0 110.257 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -52.18 -29.24 21.4 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.184 -0.948 . . . . 0.0 110.332 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.0 mm -75.75 -39.64 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 0.0 110.162 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -25.45 64.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 110.21 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.56 -67.97 0.82 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.335 -0.853 . . . . 0.0 110.199 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.248 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.421 ' N ' HD12 ' B' ' 8' ' ' LEU . 6.7 mp . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.234 0.54 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 53.12 70.83 1.63 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.1 Cg_endo -72.99 -46.59 0.38 Allowed 'Trans proline' 0 C--N 1.31 -1.453 0 O-C-N 123.72 1.379 . . . . 0.0 110.458 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.76 -82.54 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.419 -0.801 . . . . 0.0 110.301 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 10' ' ' PRO . 12.7 p30 -152.31 18.9 0.65 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.173 -0.954 . . . . 0.0 110.471 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.559 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.8 t -85.49 -62.01 0.25 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.089 -1.007 . . . . 0.0 110.182 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.559 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 48.3 Cg_endo -74.37 -46.01 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.2 1.105 . . . . 0.0 110.046 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.84 -163.69 0.1 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.441 -0.787 . . . . 0.0 110.196 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -133.12 41.64 3.11 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.261 -0.899 . . . . 0.0 110.212 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 9.2 ptm -60.02 -32.46 70.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.343 -0.848 . . . . 0.0 110.219 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 3.0 m -157.23 166.38 16.76 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.144 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.447 ' HG2' ' HB2' ' B' ' 22' ' ' LEU . 46.8 Cg_endo -85.35 17.5 1.75 Allowed 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.674 1.355 . . . . 0.0 111.697 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.21 -67.55 0.11 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.272 -0.892 . . . . 0.0 111.536 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.92 -45.62 15.52 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.233 -0.917 . . . . 0.0 110.999 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.662 ' N ' HD12 ' B' ' 22' ' ' LEU . 9.3 mp -80.55 -47.4 14.25 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.307 -0.87 . . . . 0.0 109.514 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.427 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 10.7 tt0 -52.54 -54.96 25.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.674 -0.641 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -62.54 -46.73 87.06 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -58.11 -51.72 68.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 110.308 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.48 -58.19 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.908 . . . . 0.0 110.22 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -60.74 -27.83 68.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.323 -0.861 . . . . 0.0 110.323 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -80.15 -40.79 26.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.28 -0.887 . . . . 0.0 110.313 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.653 ' O ' HG21 ' B' ' 48' ' ' ILE . 39.9 mt -72.83 -36.63 67.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.26 -0.9 . . . . 0.0 110.371 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.434 ' N ' HD21 ' B' ' 52' ' ' LEU . 0.1 OUTLIER -68.07 -46.67 70.4 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.292 -0.88 . . . . 0.0 110.087 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.32 -34.75 63.59 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.623 HD12 ' CD ' ' B' ' 35' ' ' GLN . 22.2 tp -67.92 -37.61 81.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.245 -1.15 . . . . 0.0 110.058 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.533 ' HA ' ' HB1' ' B' ' 45' ' ' ALA . 2.5 ttp -67.14 -23.57 65.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.385 -0.822 . . . . 0.0 110.212 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.09 -57.92 3.4 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.619 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.623 ' CD ' HD12 ' B' ' 32' ' ' LEU . 19.5 pt20 -49.86 -33.54 17.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.185 -0.947 . . . . 0.0 110.418 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.57 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 33.8 m-70 -80.2 -56.98 3.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 110.058 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.584 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -49.0 -27.35 3.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.237 -0.914 . . . . 0.0 109.992 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -78.19 -39.37 40.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.413 -0.804 . . . . 0.0 109.499 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -95.51 28.84 2.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.488 -0.757 . . . . 0.0 109.553 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp 55.1 27.54 9.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.496 -0.752 . . . . 0.0 110.556 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' B' ' 36' ' ' HIS . 0.0 OUTLIER -101.66 15.01 30.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.237 -0.914 . . . . 0.0 109.993 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 1.032 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 5.1 p90 -58.81 -13.65 6.74 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 0.0 111.303 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -49.46 -62.84 1.33 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.601 -1.312 . . . . 0.0 109.508 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 3.9 pt-20 -82.8 -19.83 36.94 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.049 -1.032 . . . . 0.0 109.642 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 1.032 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -79.07 -58.69 3.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.506 -0.746 . . . . 0.0 111.517 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.675 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -42.49 -28.41 0.21 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.471 -0.768 . . . . 0.0 111.18 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.69 -31.21 70.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.071 -1.018 . . . . 0.0 109.686 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.867 HG22 HD23 ' B' ' 52' ' ' LEU . 95.8 mt -53.63 -32.37 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 0.0 109.401 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -46.84 -34.18 5.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.674 -0.641 . . . . 0.0 109.702 179.043 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.0 -39.46 87.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.339 -0.851 . . . . 0.0 109.082 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.856 ' O ' HD12 ' B' ' 55' ' ' LEU . 60.1 mt-30 -80.19 -33.65 38.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.454 -0.779 . . . . 0.0 109.471 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.867 HD23 HG22 ' B' ' 48' ' ' ILE . 0.5 OUTLIER -67.3 -37.08 82.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.475 -0.766 . . . . 0.0 109.9 179.694 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -78.04 -49.02 14.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.38 -0.825 . . . . 0.0 110.074 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.93 -36.03 71.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.239 -0.913 . . . . 0.0 110.053 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.856 HD12 ' O ' ' B' ' 51' ' ' GLN . 4.5 mt -69.98 -27.16 64.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 0.0 110.131 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -53.98 43.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.29 -0.882 . . . . 0.0 110.158 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.24 -30.63 68.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -0.878 . . . . 0.0 110.044 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' B' ' 58' ' ' LEU . 26.4 mt -69.32 -20.0 63.88 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.278 -0.889 . . . . 0.0 110.261 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -52.15 -29.35 21.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.113 -0.992 . . . . 0.0 110.237 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 48.9 mm -75.69 -39.61 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.243 -0.91 . . . . 0.0 110.223 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.38 -25.45 64.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.279 -0.888 . . . . 0.0 110.132 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.54 -67.84 0.83 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.242 -0.911 . . . . 0.0 110.206 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.183 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.238 0.542 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 53.12 87.38 0.14 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.264 -0.897 . . . . 0.0 110.194 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.2 Cg_endo -73.14 -53.41 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.702 1.369 . . . . 0.0 110.436 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.6 -80.67 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.421 -0.799 . . . . 0.0 110.425 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' PRO . 5.1 p-10 -143.95 28.23 1.42 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.237 -0.915 . . . . 0.0 110.171 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.536 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.2 t -85.57 -48.38 0.58 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.264 -0.898 . . . . 0.0 110.163 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.536 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 43.2 Cg_endo -81.87 -74.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.365 1.192 . . . . 0.0 110.249 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.74 122.78 0.15 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.17 -0.957 . . . . 0.0 110.211 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -97.28 34.21 1.83 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.245 -0.91 . . . . 0.0 110.141 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.7 ptm -59.69 -32.29 70.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.217 -0.927 . . . . 0.0 110.206 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.436 ' HB2' ' N ' ' A' ' 23' ' ' GLN . 10.7 p -141.52 140.34 20.28 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 110.098 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.539 ' HG2' HD13 ' A' ' 22' ' ' LEU . 47.6 Cg_endo -74.85 61.92 5.63 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.642 1.338 . . . . 0.0 111.1 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 61.49 -69.44 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.695 -0.628 . . . . 0.0 111.218 179.054 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -44.86 -48.11 11.12 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.287 -0.883 . . . . 0.0 110.709 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.704 HD12 ' N ' ' A' ' 22' ' ' LEU . 7.3 mp -80.59 -30.45 36.9 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.302 -0.874 . . . . 0.0 108.9 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.436 ' N ' ' HB2' ' A' ' 18' ' ' SER . 27.4 tt0 -57.0 -46.57 82.18 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.097 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -39.06 63.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.927 . . . . 0.0 110.105 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -48.52 74.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 0.0 110.137 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.568 HG23 HD13 ' A' ' 52' ' ' LEU . 76.7 mt -63.15 -45.81 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.354 -0.841 . . . . 0.0 110.067 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -67.32 -21.71 65.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 0.0 110.162 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -47.47 44.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 0.0 110.26 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.44 ' CB ' HD21 ' A' ' 52' ' ' LEU . 44.1 mt -71.72 -41.0 69.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.23 -0.919 . . . . 0.0 110.192 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.19 -47.64 74.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.34 -0.85 . . . . 0.0 110.101 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.31 -24.43 55.59 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 32' ' ' LEU . 10.2 tp -71.2 -35.98 71.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.266 -1.138 . . . . 0.0 110.121 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.921 ' HE1' HD23 ' B' ' 40' ' ' LEU . 5.2 mtp -63.53 -51.38 65.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.175 -0.953 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.2 mtp -50.01 -51.03 45.07 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.346 -0.847 . . . . 0.0 110.693 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.0 -78.44 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.152 -0.967 . . . . 0.0 110.538 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.469 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 69.0 m-70 -50.29 -54.39 21.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.243 -0.911 . . . . 0.0 110.532 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.428 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -46.66 -33.59 4.37 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.349 -0.845 . . . . 0.0 110.274 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -80.12 -33.7 38.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.384 -0.822 . . . . 0.0 109.483 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -94.64 24.71 4.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.462 -0.774 . . . . 0.0 109.694 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.905 HD23 ' HE1' ' B' ' 33' ' ' MET . 2.3 mp 55.31 40.47 31.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.518 -0.738 . . . . 0.0 110.72 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . 6.7 mm-40 -120.07 17.31 12.46 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.238 -0.914 . . . . 0.0 109.8 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.01 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.4 p90 -59.95 -9.92 3.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.492 -0.755 . . . . 0.0 111.93 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -50.51 -65.86 0.49 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.476 -1.39 . . . . 0.0 109.156 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -81.84 -18.63 43.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.449 -0.782 . . . . 0.0 109.841 178.207 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 1.01 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -80.9 -46.0 15.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.149 -0.969 . . . . 0.0 112.093 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.694 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -54.11 -38.11 65.04 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.065 -1.022 . . . . 0.0 111.825 -178.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -51.45 -24.42 4.99 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.675 -1.266 . . . . 0.0 109.809 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.58 HG22 HD23 ' A' ' 52' ' ' LEU . 35.7 mm -55.58 -30.7 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.301 -0.874 . . . . 0.0 109.21 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -52.09 -28.69 18.51 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -0.826 . . . . 0.0 109.407 179.179 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -44.58 75.67 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.543 ' O ' HD13 ' A' ' 55' ' ' LEU . 76.8 mt-30 -67.86 -31.21 70.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.367 -0.833 . . . . 0.0 109.372 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.58 HD23 HG22 ' A' ' 48' ' ' ILE . 1.6 mm? -68.08 -43.23 79.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.369 -0.832 . . . . 0.0 109.842 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -78.27 -34.89 48.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.331 -0.856 . . . . 0.0 110.028 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HA ' ' OE2' ' A' ' 57' ' ' GLU . 29.5 tt0 -64.64 -41.13 96.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.316 -0.865 . . . . 0.0 110.032 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 51' ' ' GLN . 2.4 mp -64.27 -19.92 65.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.922 . . . . 0.0 110.092 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -56.61 -59.7 4.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.919 . . . . 0.0 110.461 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' OE2' ' HA ' ' A' ' 54' ' ' GLN . 1.2 pt-20 -60.26 -23.52 64.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.199 -0.938 . . . . 0.0 110.235 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -19.95 50.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 110.229 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -50.98 -46.43 61.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.17 -0.956 . . . . 0.0 110.397 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.9 -40.16 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.25 -0.906 . . . . 0.0 110.057 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.22 -21.56 66.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.839 . . . . 0.0 110.148 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.71 -64.52 1.04 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.254 -0.904 . . . . 0.0 110.193 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.201 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.25 0.547 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 52.99 87.35 0.14 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.271 -0.893 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.4 Cg_endo -73.05 -53.47 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.793 1.417 . . . . 0.0 110.47 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.58 -80.73 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.393 -0.817 . . . . 0.0 110.414 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' B' ' 10' ' ' PRO . 5.0 p-10 -143.92 28.32 1.42 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.202 -0.936 . . . . 0.0 110.159 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.515 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.2 t -85.64 -48.36 0.57 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.252 -0.905 . . . . 0.0 110.121 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.515 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 43.7 Cg_endo -81.81 -74.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.372 1.196 . . . . 0.0 110.315 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.74 122.79 0.15 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.125 -0.984 . . . . 0.0 110.213 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -97.26 34.13 1.84 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.0 110.153 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 8.7 ptm -59.63 -32.29 70.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 0.0 110.23 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.437 ' HB2' ' N ' ' B' ' 23' ' ' GLN . 10.6 p -141.49 140.32 20.29 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.295 -0.878 . . . . 0.0 110.132 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.551 ' HG2' HD13 ' B' ' 22' ' ' LEU . 48.0 Cg_endo -74.82 61.95 5.6 Favored 'Trans proline' 0 C--N 1.312 -1.353 0 O-C-N 123.554 1.291 . . . . 0.0 111.136 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 61.44 -69.42 0.05 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 O-C-N 121.735 -0.603 . . . . 0.0 111.245 179.082 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -44.83 -48.17 11.03 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.365 -0.834 . . . . 0.0 110.702 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.706 ' N ' HD12 ' B' ' 22' ' ' LEU . 7.3 mp -80.53 -30.46 37.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.234 -0.916 . . . . 0.0 108.948 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.437 ' N ' ' HB2' ' B' ' 18' ' ' SER . 27.4 tt0 -56.99 -46.47 82.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.62 -0.675 . . . . 0.0 110.157 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -39.08 63.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.132 -0.98 . . . . 0.0 110.104 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -48.61 73.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.266 -0.896 . . . . 0.0 110.177 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.582 HG23 HD13 ' B' ' 52' ' ' LEU . 77.2 mt -63.12 -45.72 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 110.179 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -67.33 -21.69 65.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.263 -0.898 . . . . 0.0 110.222 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.95 -47.57 44.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.915 . . . . 0.0 110.207 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.426 ' CB ' HD21 ' B' ' 52' ' ' LEU . 44.3 mt -71.69 -40.95 69.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.251 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.18 -47.58 75.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 110.175 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.37 -24.5 55.97 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 tp -71.12 -35.92 71.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -1.154 . . . . 0.0 110.181 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.905 ' HE1' HD23 ' A' ' 40' ' ' LEU . 5.0 mtp -63.59 -51.46 65.23 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 3.2 mtp -49.99 -50.94 45.41 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.274 -0.891 . . . . 0.0 110.696 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -78.49 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.199 -0.938 . . . . 0.0 110.504 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.47 ' HB2' ' CB ' ' B' ' 45' ' ' ALA . 69.1 m-70 -50.28 -54.3 22.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.248 -0.907 . . . . 0.0 110.613 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.428 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -46.71 -33.57 4.42 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.404 -0.81 . . . . 0.0 110.304 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -80.11 -33.64 38.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -0.894 . . . . 0.0 109.509 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -94.69 24.7 4.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.383 -0.823 . . . . 0.0 109.589 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.921 HD23 ' HE1' ' A' ' 33' ' ' MET . 2.3 mp 55.37 40.31 31.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.484 -0.76 . . . . 0.0 110.742 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' B' ' 36' ' ' HIS . 6.7 mm-40 -120.03 17.51 12.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.25 -0.906 . . . . 0.0 109.815 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 1.009 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 5.4 p90 -60.01 -9.97 3.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.467 -0.771 . . . . 0.0 111.912 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -50.57 -65.78 0.5 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.449 -1.407 . . . . 0.0 109.144 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER -81.95 -18.58 43.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.757 . . . . 0.0 109.833 178.236 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 1.009 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -80.97 -45.94 15.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.143 -0.973 . . . . 0.0 112.128 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.698 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -54.07 -38.09 64.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.167 -0.958 . . . . 0.0 111.852 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' B' ' 44' ' ' GLU . 0.0 OUTLIER -51.44 -24.48 5.03 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.654 -1.279 . . . . 0.0 109.766 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.58 HG22 HD23 ' B' ' 52' ' ' LEU . 35.8 mm -55.53 -30.7 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.324 -0.86 . . . . 0.0 109.141 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.1 OUTLIER -52.01 -28.87 18.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.345 -0.847 . . . . 0.0 109.42 179.147 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -44.52 75.96 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.548 ' O ' HD13 ' B' ' 55' ' ' LEU . 76.8 mt-30 -67.93 -31.27 70.91 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.389 -0.819 . . . . 0.0 109.312 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.582 HD13 HG23 ' B' ' 26' ' ' ILE . 1.6 mm? -67.95 -43.3 79.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.78 . . . . 0.0 109.897 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -78.19 -34.94 49.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.884 . . . . 0.0 110.113 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.418 ' HA ' ' OE2' ' B' ' 57' ' ' GLU . 29.5 tt0 -64.66 -41.1 96.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.215 -0.928 . . . . 0.0 110.069 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.548 HD13 ' O ' ' B' ' 51' ' ' GLN . 2.4 mp -64.2 -19.88 65.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.227 -0.92 . . . . 0.0 110.178 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -56.7 -59.54 4.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.254 -0.904 . . . . 0.0 110.495 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.418 ' OE2' ' HA ' ' B' ' 54' ' ' GLN . 1.2 pt-20 -60.43 -23.44 64.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.121 -0.987 . . . . 0.0 110.28 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -19.92 50.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.231 -0.918 . . . . 0.0 110.283 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -51.03 -46.26 61.55 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.193 -0.942 . . . . 0.0 110.449 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.97 -40.17 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 0.0 110.11 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.53 66.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.882 . . . . 0.0 110.186 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.75 -64.46 1.04 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 110.209 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.21 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.243 0.544 . . . . 0.0 110.192 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 53.07 81.01 0.27 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.299 -0.876 . . . . 0.0 110.212 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.1 Cg_endo -72.83 -49.9 0.23 Allowed 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.701 1.369 . . . . 0.0 110.468 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.3 -79.63 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.433 -0.792 . . . . 0.0 110.429 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 10' ' ' PRO . 1.6 p-10 -137.64 26.39 2.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.176 -0.953 . . . . 0.0 110.156 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.508 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -67.48 -58.98 7.68 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 0.0 109.802 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.508 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 48.0 Cg_endo -74.09 -46.25 0.32 Allowed 'Trans proline' 0 C--N 1.31 -1.458 0 O-C-N 123.478 1.252 . . . . 0.0 110.086 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.78 -150.81 0.33 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.455 -0.778 . . . . 0.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.0 49.21 1.86 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.931 . . . . 0.0 110.168 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.418 ' HG3' ' N ' ' A' ' 18' ' ' SER . 9.4 ptp -54.43 -40.24 68.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.253 -0.904 . . . . 0.0 110.161 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 17' ' ' MET . 4.7 m -65.76 160.08 64.19 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.295 -0.878 . . . . 0.0 110.136 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HG2' HD13 ' A' ' 22' ' ' LEU . 47.5 Cg_endo -85.71 20.0 1.3 Allowed 'Trans proline' 0 C--N 1.313 -1.337 0 O-C-N 123.754 1.397 . . . . 0.0 111.654 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.65 -67.43 0.12 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.245 -0.909 . . . . 0.0 111.444 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.49 -46.2 18.87 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.113 -0.992 . . . . 0.0 110.9 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.9 mp -80.55 -43.18 21.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.228 -0.92 . . . . 0.0 109.368 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -51.68 -53.12 42.46 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.723 -0.61 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -71.05 -33.35 70.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.229 -0.919 . . . . 0.0 110.138 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -51.58 43.91 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.231 -0.918 . . . . 0.0 110.153 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.636 HG23 HD13 ' A' ' 52' ' ' LEU . 95.3 mt -59.71 -50.96 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.0 110.181 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -62.4 -33.36 74.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.339 -0.851 . . . . 0.0 110.254 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -80.03 -40.33 28.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.305 -0.872 . . . . 0.0 110.301 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 mt -71.08 -34.69 71.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 110.375 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.443 ' N ' HD21 ' A' ' 52' ' ' LEU . 1.7 tt0 -61.46 -41.58 97.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.212 -0.93 . . . . 0.0 110.315 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.06 -22.93 62.39 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.34 -22.02 66.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.277 -1.131 . . . . 0.0 110.333 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . 1.025 ' CE ' HD21 ' B' ' 40' ' ' LEU . 3.3 mtp -65.46 -56.58 11.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.0 110.345 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -34.72 41.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.225 -0.922 . . . . 0.0 110.212 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -74.92 0.07 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.345 -0.847 . . . . 0.0 110.199 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.833 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 82.4 m-70 -51.71 -45.93 63.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 0.0 110.361 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.55 -39.0 64.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.047 -1.033 . . . . 0.0 109.131 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -66.75 -34.0 76.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.384 -0.823 . . . . 0.0 109.269 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -85.33 7.23 23.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.504 -0.748 . . . . 0.0 109.635 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.023 HD21 ' CE ' ' B' ' 33' ' ' MET . 0.3 OUTLIER 64.85 17.7 11.13 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.324 -0.86 . . . . 0.0 111.222 179.707 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' GLU . 15.6 mm-40 -65.14 -51.03 63.65 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.848 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 1.5 m-85 62.21 -57.14 0.13 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' GLU . 33.0 tt0 -46.76 -60.4 2.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.974 -1.079 . . . . 0.0 109.715 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 16.3 pt-20 -81.13 -19.08 44.29 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.525 -0.734 . . . . 0.0 110.294 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.833 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -81.0 -51.03 8.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.055 -1.028 . . . . 0.0 111.695 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.833 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -80.35 -19.46 46.37 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.269 -0.894 . . . . 0.0 111.134 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 43' ' ' GLU . 7.6 mm-40 -70.1 -20.54 63.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.819 -1.176 . . . . 0.0 109.974 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.403 ' HB ' ' HG3' ' A' ' 33' ' ' MET . 84.3 mt -68.06 -27.58 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.265 -0.897 . . . . 0.0 110.628 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -53.39 -27.0 21.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.059 -1.026 . . . . 0.0 110.143 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.77 -36.54 36.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 0.0 109.988 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.725 ' O ' HD12 ' A' ' 55' ' ' LEU . 30.4 mt-30 -74.2 -32.67 63.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.871 . . . . 0.0 110.005 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.636 HD13 HG23 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -69.03 -51.07 42.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.277 -0.89 . . . . 0.0 110.033 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -68.22 -37.56 80.98 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.308 -0.87 . . . . 0.0 110.042 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -70.5 -41.98 71.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.277 -0.889 . . . . 0.0 110.109 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 51' ' ' GLN . 6.2 mt -56.73 -31.22 64.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.282 -0.886 . . . . 0.0 110.097 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -53.57 56.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -0.891 . . . . 0.0 110.161 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.82 -44.46 77.92 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.202 -0.936 . . . . 0.0 110.059 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 58' ' ' LEU . 55.3 mt -58.06 -23.95 56.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.365 -0.834 . . . . 0.0 110.274 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -53.21 -38.6 63.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.162 -0.961 . . . . 0.0 110.215 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.9 mm -78.13 -36.7 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.162 -0.961 . . . . 0.0 110.158 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.27 66.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.901 . . . . 0.0 110.25 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.13 -65.99 0.97 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 110.227 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.209 179.928 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.445 ' HA ' HD13 ' B' ' 8' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.196 0.522 . . . . 0.0 110.256 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 53.1 80.98 0.27 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.875 . . . . 0.0 110.262 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' B' ' 12' ' ' ASN . 45.5 Cg_endo -72.83 -49.88 0.23 Allowed 'Trans proline' 0 C--N 1.312 -1.395 0 O-C-N 123.735 1.387 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.26 -79.65 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.459 -0.776 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' B' ' 10' ' ' PRO . 1.6 p-10 -137.58 26.34 2.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.245 -0.909 . . . . 0.0 110.128 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.523 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -67.51 -58.87 7.83 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.24 -0.912 . . . . 0.0 109.805 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 48.0 Cg_endo -74.16 -46.28 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.425 1.224 . . . . 0.0 110.047 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.87 -150.87 0.33 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.478 -0.764 . . . . 0.0 110.26 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.97 49.26 1.86 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 0.0 110.191 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.43 ' HG3' ' N ' ' B' ' 18' ' ' SER . 9.4 ptp -54.39 -40.13 67.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.329 -0.857 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' B' ' 17' ' ' MET . 4.8 m -65.76 160.2 63.36 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.246 -0.909 . . . . 0.0 110.099 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.465 ' HG2' HD13 ' B' ' 22' ' ' LEU . 47.5 Cg_endo -85.83 20.0 1.3 Allowed 'Trans proline' 0 C--N 1.313 -1.323 0 O-C-N 123.642 1.338 . . . . 0.0 111.592 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.71 -67.34 0.12 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.211 -0.93 . . . . 0.0 111.412 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.63 -46.08 19.53 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.197 -0.939 . . . . 0.0 110.922 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.652 ' N ' HD12 ' B' ' 22' ' ' LEU . 10.0 mp -80.67 -43.19 20.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.906 . . . . 0.0 109.294 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -51.66 -53.1 42.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.682 -0.636 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -70.96 -33.47 70.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.234 -0.917 . . . . 0.0 110.133 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -51.53 44.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.293 -0.88 . . . . 0.0 110.141 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.654 HG23 HD13 ' B' ' 52' ' ' LEU . 95.3 mt -59.67 -51.08 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.887 . . . . 0.0 110.199 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -62.31 -33.34 74.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.311 -0.868 . . . . 0.0 110.228 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -80.05 -40.31 28.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.228 -0.92 . . . . 0.0 110.336 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 38.3 mt -71.12 -34.75 71.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.206 -0.934 . . . . 0.0 110.314 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.459 ' N ' HD21 ' B' ' 52' ' ' LEU . 1.7 tt0 -61.47 -41.53 97.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.23 -0.919 . . . . 0.0 110.323 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.05 -22.97 62.33 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.29 -22.1 66.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.142 -1.211 . . . . 0.0 110.355 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' MET . . . . . 1.023 ' CE ' HD21 ' A' ' 40' ' ' LEU . 3.3 mtp -65.36 -56.63 11.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.212 -0.93 . . . . 0.0 110.306 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -34.71 41.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -74.93 0.07 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.334 -0.854 . . . . 0.0 110.174 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.832 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 82.4 m-70 -51.73 -45.9 63.81 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.157 -0.965 . . . . 0.0 110.366 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.53 -39.04 64.36 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.1 -1.0 . . . . 0.0 109.146 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -66.74 -34.01 76.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.46 -0.775 . . . . 0.0 109.278 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -85.34 7.32 22.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.427 -0.796 . . . . 0.0 109.697 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 1.025 HD21 ' CE ' ' A' ' 33' ' ' MET . 0.3 OUTLIER 64.85 17.71 11.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.307 -0.87 . . . . 0.0 111.219 179.644 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 43' ' ' GLU . 15.6 mm-40 -65.09 -51.06 63.57 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.833 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 1.5 m-85 62.02 -57.02 0.13 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 178.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 41' ' ' GLU . 33.0 tt0 -46.76 -60.44 2.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.997 -1.064 . . . . 0.0 109.745 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.465 ' OE1' ' CE1' ' B' ' 36' ' ' HIS . 16.3 pt-20 -81.09 -19.03 44.54 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.606 -0.684 . . . . 0.0 110.354 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.832 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.99 -51.09 8.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.031 -1.043 . . . . 0.0 111.645 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.848 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -80.38 -19.45 46.31 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.197 -0.939 . . . . 0.0 111.093 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.4 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 7.6 mm-40 -70.1 -20.56 63.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.885 -1.135 . . . . 0.0 109.972 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.405 ' HB ' ' HG3' ' B' ' 33' ' ' MET . 83.9 mt -68.1 -27.56 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.254 -0.904 . . . . 0.0 110.652 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 1.0 OUTLIER -53.3 -27.05 21.01 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.051 -1.031 . . . . 0.0 110.229 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -36.49 37.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 0.0 109.949 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.732 ' O ' HD12 ' B' ' 55' ' ' LEU . 30.5 mt-30 -74.32 -32.62 62.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 109.985 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.654 HD13 HG23 ' B' ' 26' ' ' ILE . 0.3 OUTLIER -69.05 -51.03 43.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.361 -0.837 . . . . 0.0 110.072 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -68.19 -37.55 81.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 0.0 110.079 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -70.45 -42.11 71.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.0 110.127 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.732 HD12 ' O ' ' B' ' 51' ' ' GLN . 6.2 mt -56.57 -31.25 64.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 0.0 110.205 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' B' ' 59' ' ' PHE . 0.1 OUTLIER -56.48 -53.74 53.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.314 -0.866 . . . . 0.0 110.065 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -55.8 -44.44 77.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.913 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' B' ' 58' ' ' LEU . 54.8 mt -58.12 -23.83 56.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -0.91 . . . . 0.0 110.232 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' B' ' 56' ' ' ARG . 50.3 t80 -53.31 -38.58 63.29 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.249 -0.907 . . . . 0.0 110.203 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.404 HD12 HG23 ' B' ' 60' ' ' ILE . 41.8 mm -78.01 -36.8 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.224 -0.922 . . . . 0.0 110.17 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.26 66.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.225 -0.922 . . . . 0.0 110.217 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.16 -65.96 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.305 -0.872 . . . . 0.0 110.186 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.209 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.228 0.537 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -171.68 61.72 0.33 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.256 -0.902 . . . . 0.0 110.249 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.1 Cg_endo -72.8 -49.18 0.26 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.659 1.347 . . . . 0.0 110.282 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 57.39 -83.4 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.686 -0.634 . . . . 0.0 110.635 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 10' ' ' PRO . 6.9 p30 -134.71 42.5 2.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.144 -0.973 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.667 HG12 ' HD3' ' A' ' 14' ' ' PRO . 8.9 p -76.95 -25.14 0.49 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.894 . . . . 0.0 112.632 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.667 ' HD3' HG12 ' A' ' 13' ' ' VAL . 51.0 Cg_endo -84.78 -58.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.325 -0.709 0 N-CA-C 110.008 -0.805 . . . . 0.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ptp -175.86 167.79 3.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.387 -0.82 . . . . 0.0 110.154 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.52 74.77 0.05 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.259 -0.901 . . . . 0.0 110.125 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' SER . 3.5 ptt? -58.97 -27.06 65.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.261 -0.899 . . . . 0.0 110.397 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.437 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . 0.8 OUTLIER -96.33 161.7 26.08 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.216 -0.927 . . . . 0.0 110.315 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' ALA . 49.8 Cg_endo -85.25 14.9 2.34 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 O-C-N 123.641 1.337 . . . . 0.0 111.548 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER 66.39 -63.02 0.26 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.307 -0.87 . . . . 0.0 110.911 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.19 -46.97 24.25 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.157 -0.964 . . . . 0.0 110.356 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.875 HD11 HD11 ' A' ' 26' ' ' ILE . 4.3 tp -77.08 -60.28 2.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.351 -0.843 . . . . 0.0 109.37 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.437 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 49.1 tt0 -47.0 -33.95 5.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.466 -0.772 . . . . 0.0 110.504 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -73.27 -36.12 66.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 109.977 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -46.8 61.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 110.111 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.875 HD11 HD11 ' A' ' 22' ' ' LEU . 58.8 mt -56.44 -55.39 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.301 -0.874 . . . . 0.0 110.136 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -55.74 -28.84 57.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.279 -0.888 . . . . 0.0 110.204 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.41 -40.97 41.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 110.189 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.578 ' HB2' HD21 ' A' ' 52' ' ' LEU . 86.8 mt -77.41 -42.22 37.04 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 110.212 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -37.56 84.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.221 -0.924 . . . . 0.0 110.133 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.76 -25.08 76.34 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HB3' HD13 ' A' ' 48' ' ' ILE . 7.7 tp -71.36 -40.63 70.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.254 -1.145 . . . . 0.0 110.103 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.643 ' HE1' HD23 ' B' ' 40' ' ' LEU . 11.8 mtp -53.96 -49.62 68.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.197 -0.94 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' B' ' 38' ' ' GLN . 4.1 mtp -51.92 -44.25 63.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.296 -0.877 . . . . 0.0 110.466 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.148 -0.97 . . . . 0.0 110.501 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.643 ' ND1' ' HB2' ' A' ' 45' ' ' ALA . 4.6 m170 -54.07 -50.62 66.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.909 . . . . 0.0 110.394 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -47.23 -33.56 5.56 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.439 -0.788 . . . . 0.0 110.205 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -79.1 -34.06 43.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 109.443 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.674 ' C ' HD12 ' A' ' 40' ' ' LEU . 55.0 m-20 -94.33 23.45 5.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.46 -0.775 . . . . 0.0 109.742 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.705 ' N ' HD12 ' A' ' 40' ' ' LEU . 5.0 mp 55.76 27.81 11.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.514 -0.741 . . . . 0.0 110.734 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . 28.7 mm-40 -106.34 18.11 22.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.305 -0.872 . . . . 0.0 109.887 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.03 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.0 p90 -60.52 -8.89 3.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.424 -0.798 . . . . 0.0 111.969 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -49.81 -67.13 0.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.428 -1.42 . . . . 0.0 109.316 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 3.2 pt-20 -81.9 -19.57 40.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.549 -0.719 . . . . 0.0 109.733 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 1.03 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -77.63 -48.98 15.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.424 -0.798 . . . . 0.0 111.522 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.69 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -51.62 -23.37 4.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.11 -0.994 . . . . 0.0 110.509 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -52.57 -34.03 48.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.951 -1.093 . . . . 0.0 109.83 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.687 HG22 HD23 ' A' ' 52' ' ' LEU . 70.5 mt -53.11 -27.46 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.358 -0.839 . . . . 0.0 109.204 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -50.89 -34.5 28.49 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.57 -0.706 . . . . 0.0 109.524 179.121 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.28 -33.83 72.05 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.813 . . . . 0.0 109.757 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.444 ' O ' HD12 ' A' ' 55' ' ' LEU . 28.9 mt-30 -79.01 -40.35 31.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.286 -0.884 . . . . 0.0 109.95 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.687 HD23 HG22 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -61.2 -42.36 98.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.273 -0.892 . . . . 0.0 110.21 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.13 -41.23 95.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.217 -0.927 . . . . 0.0 110.297 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -42.62 60.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.235 -0.916 . . . . 0.0 110.31 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.2 OUTLIER -67.11 -22.87 65.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.187 -0.945 . . . . 0.0 110.274 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -71.69 -54.42 10.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.28 -0.888 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 3.4 pt-20 -58.48 -22.48 55.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.27 -0.894 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -71.25 -19.89 62.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.249 -0.907 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.543 ' HA ' HD23 ' A' ' 22' ' ' LEU . 24.9 t80 -51.18 -42.15 60.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.241 -0.912 . . . . 0.0 110.464 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.9 -34.4 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.277 -0.89 . . . . 0.0 110.141 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.48 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -65.62 -22.11 66.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.256 -0.903 . . . . 0.0 110.128 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.27 -58.87 2.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.195 -0.94 . . . . 0.0 110.179 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.187 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.173 0.511 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -171.65 61.67 0.33 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.323 -0.861 . . . . 0.0 110.29 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.8 Cg_endo -72.7 -49.31 0.26 Allowed 'Trans proline' 0 C--N 1.31 -1.472 0 O-C-N 123.753 1.396 . . . . 0.0 110.332 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' B' ' 10' ' ' PRO . 5.1 m-20 57.46 -83.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.64 -0.663 . . . . 0.0 110.563 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' B' ' 10' ' ' PRO . 7.0 p30 -134.65 42.46 2.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.11 -0.994 . . . . 0.0 110.316 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.667 HG12 ' HD3' ' B' ' 14' ' ' PRO . 8.9 p -76.97 -25.05 0.49 Allowed Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.289 -0.882 . . . . 0.0 112.71 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.667 ' HD3' HG12 ' B' ' 13' ' ' VAL . 50.6 Cg_endo -84.83 -59.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.73 0 N-CA-C 109.919 -0.839 . . . . 0.0 109.919 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ptp -175.87 167.75 3.06 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.323 -0.861 . . . . 0.0 110.158 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.54 74.83 0.05 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.266 -0.896 . . . . 0.0 110.144 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.433 ' HG3' ' N ' ' B' ' 18' ' ' SER . 3.5 ptt? -58.99 -27.04 65.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.355 -0.841 . . . . 0.0 110.433 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' B' ' 23' ' ' GLN . 0.8 OUTLIER -96.38 161.75 25.88 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.203 -0.935 . . . . 0.0 110.296 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' B' ' 21' ' ' ALA . 49.7 Cg_endo -85.23 14.91 2.34 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.71 1.373 . . . . 0.0 111.546 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' B' ' 19' ' ' PRO . 0.4 OUTLIER 66.29 -62.96 0.26 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.32 -0.863 . . . . 0.0 110.915 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.16 -47.03 23.91 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.121 -0.987 . . . . 0.0 110.407 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.867 HD11 HD11 ' B' ' 26' ' ' ILE . 4.3 tp -77.07 -60.36 2.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.859 . . . . 0.0 109.358 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.448 ' HB2' ' HB3' ' B' ' 18' ' ' SER . 49.1 tt0 -46.9 -33.9 4.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.569 -0.707 . . . . 0.0 110.561 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -73.23 -36.14 66.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.006 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -46.77 61.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.089 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.867 HD11 HD11 ' B' ' 22' ' ' LEU . 59.1 mt -56.38 -55.46 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -0.944 . . . . 0.0 110.104 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -55.73 -28.85 58.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.206 -0.934 . . . . 0.0 110.195 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.38 -40.92 42.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.0 110.218 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.567 ' HB2' HD21 ' B' ' 52' ' ' LEU . 87.1 mt -77.38 -42.4 36.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.19 -0.944 . . . . 0.0 110.175 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -37.47 84.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.261 -0.9 . . . . 0.0 110.145 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.9 -25.14 76.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.528 ' HB3' HD13 ' B' ' 48' ' ' ILE . 7.7 tp -71.21 -40.58 71.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.163 -1.198 . . . . 0.0 110.17 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.64 ' HE1' HD23 ' A' ' 40' ' ' LEU . 11.9 mtp -54.1 -49.65 68.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.905 . . . . 0.0 110.236 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 4.1 mtp -51.68 -44.35 63.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -77.99 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.199 -0.938 . . . . 0.0 110.452 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.65 ' ND1' ' HB2' ' B' ' 45' ' ' ALA . 4.5 m170 -54.11 -50.74 66.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.199 -0.938 . . . . 0.0 110.358 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -47.24 -33.28 5.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.375 -0.828 . . . . 0.0 110.18 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.419 ' O ' ' CE ' ' A' ' 34' ' ' MET . 1.8 mt-30 -79.3 -34.2 42.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.222 -0.924 . . . . 0.0 109.493 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.671 ' C ' HD12 ' B' ' 40' ' ' LEU . 54.8 m-20 -94.22 23.41 5.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.395 -0.815 . . . . 0.0 109.732 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.706 ' N ' HD12 ' B' ' 40' ' ' LEU . 5.0 mp 55.85 27.87 11.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.464 -0.773 . . . . 0.0 110.709 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.427 ' HB2' ' HA ' ' B' ' 36' ' ' HIS . 28.9 mm-40 -106.48 18.09 22.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.197 -0.939 . . . . 0.0 109.94 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 1.024 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 4.7 p90 -60.38 -9.11 3.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.461 -0.774 . . . . 0.0 111.896 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -49.7 -67.17 0.28 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.473 -1.392 . . . . 0.0 109.204 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 3.2 pt-20 -81.87 -19.55 40.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.491 -0.756 . . . . 0.0 109.717 178.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 1.024 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -77.76 -49.29 14.69 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.433 -0.792 . . . . 0.0 111.55 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.707 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -51.44 -23.43 3.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 110.41 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.41 -34.08 46.64 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.98 -1.075 . . . . 0.0 109.778 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.705 HG22 HD23 ' B' ' 52' ' ' LEU . 70.4 mt -53.06 -27.46 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.303 -0.873 . . . . 0.0 109.199 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.1 OUTLIER -50.94 -34.56 29.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.475 -0.765 . . . . 0.0 109.47 179.153 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.19 -33.8 72.17 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.791 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.439 ' O ' HD12 ' B' ' 55' ' ' LEU . 28.9 mt-30 -79.02 -40.38 31.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 0.0 109.93 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.705 HD23 HG22 ' B' ' 48' ' ' ILE . 0.8 OUTLIER -61.32 -42.19 98.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.307 -0.87 . . . . 0.0 110.218 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.24 -41.17 94.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.332 -0.855 . . . . 0.0 110.316 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -42.61 60.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.213 -0.93 . . . . 0.0 110.282 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.439 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.2 OUTLIER -67.14 -22.87 65.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.263 -0.898 . . . . 0.0 110.216 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -71.63 -54.47 10.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.187 -0.946 . . . . 0.0 110.207 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 3.4 pt-20 -58.53 -22.48 55.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.223 -0.923 . . . . 0.0 110.25 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' B' ' 61' ' ' ALA . 0.4 OUTLIER -71.23 -19.9 62.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.299 -0.875 . . . . 0.0 110.329 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 59' ' ' PHE . . . . . 0.536 ' HA ' HD23 ' B' ' 22' ' ' LEU . 24.7 t80 -51.09 -42.29 60.53 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.123 -0.986 . . . . 0.0 110.43 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.87 -34.38 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.872 . . . . 0.0 110.168 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.492 ' HB3' HD23 ' B' ' 58' ' ' LEU . . . -65.63 -22.09 66.63 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.313 -0.867 . . . . 0.0 110.133 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.26 -58.87 2.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.257 -0.902 . . . . 0.0 110.228 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.194 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.236 0.541 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 1.8 pt-20 -159.55 54.6 0.66 Allowed Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.226 -0.921 . . . . 0.0 110.187 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.7 Cg_endo -72.93 -47.99 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.668 1.352 . . . . 0.0 110.417 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.36 -81.21 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.354 -0.841 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -156.49 23.19 0.35 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.207 -0.933 . . . . 0.0 110.211 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.539 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.5 t -82.65 -59.77 0.39 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.945 . . . . 0.0 110.342 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.539 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 49.2 Cg_endo -74.77 -52.26 0.11 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.331 1.174 . . . . 0.0 110.367 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.6 tpt 53.68 -162.6 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.39 -0.819 . . . . 0.0 110.069 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -165.29 70.9 0.16 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.108 -0.995 . . . . 0.0 110.383 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -178.87 -43.53 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.315 -0.865 . . . . 0.0 110.026 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -177.82 133.42 0.34 Allowed Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.278 -0.889 . . . . 0.0 109.64 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.569 ' HG2' HD13 ' A' ' 22' ' ' LEU . 47.7 Cg_endo -79.25 53.52 4.75 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.472 1.249 . . . . 0.0 111.202 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.42 -67.01 0.12 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.406 -0.809 . . . . 0.0 111.563 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.39 -45.01 12.37 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.145 -0.972 . . . . 0.0 111.208 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.695 HD12 ' N ' ' A' ' 22' ' ' LEU . 7.5 mp -80.43 -43.39 21.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.174 -0.954 . . . . 0.0 109.878 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -50.47 -42.5 54.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.594 -0.691 . . . . 0.0 110.656 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -80.05 -43.81 21.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.138 -0.976 . . . . 0.0 110.582 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -63.47 -34.78 78.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.231 -0.918 . . . . 0.0 110.494 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.0 mt -75.22 -51.48 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.964 . . . . 0.0 110.459 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -64.16 -23.57 67.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.167 -0.958 . . . . 0.0 110.423 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -80.1 -59.89 2.54 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.222 -0.924 . . . . 0.0 110.445 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.779 ' HB3' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -54.37 -29.92 50.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 110.479 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -56.52 10.42 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.922 . . . . 0.0 110.363 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.71 -22.18 59.22 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.16 -25.13 47.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.162 -1.199 . . . . 0.0 110.382 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.433 ' CE ' HD23 ' B' ' 40' ' ' LEU . 0.5 OUTLIER -63.01 -43.79 97.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.159 -0.963 . . . . 0.0 110.515 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -31.37 39.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.187 -0.946 . . . . 0.0 110.591 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -77.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.211 -0.931 . . . . 0.0 110.677 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.879 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 20.5 m170 -55.07 -50.56 68.83 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 0.0 110.523 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.26 -37.82 17.12 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.209 -0.932 . . . . 0.0 110.042 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -67.75 -33.32 74.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.0 109.391 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -92.12 19.32 6.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.405 -0.809 . . . . 0.0 109.636 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.557 HD23 ' CE ' ' B' ' 33' ' ' MET . 5.7 mp 55.65 23.59 6.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.59 -46.01 70.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.19 -0.944 . . . . 0.0 108.966 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.703 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 2.4 m-85 48.25 -176.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.692 -0.63 . . . . 0.0 111.162 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 29.8 tt0 66.05 -62.71 0.25 Allowed 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.722 0.772 . . . . 0.0 108.957 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' PHE . 18.1 pt-20 -82.37 -33.04 28.93 Favored 'General case' 0 C--N 1.29 -2.004 0 O-C-N 121.789 -0.569 . . . . 0.0 109.834 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.879 ' HB2' ' HB2' ' A' ' 36' ' ' HIS . . . -80.68 -44.9 18.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.35 -0.844 . . . . 0.0 111.26 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.706 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -74.86 -19.63 60.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.169 -0.957 . . . . 0.0 111.07 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 12.2 mm-40 -77.16 -19.92 56.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.987 -1.071 . . . . 0.0 110.238 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.724 HG23 HD23 ' A' ' 29' ' ' LEU . 70.3 mt -70.59 -28.89 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.161 -0.962 . . . . 0.0 110.426 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -53.32 -27.33 22.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.099 -1.001 . . . . 0.0 109.924 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.41 -39.6 46.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -0.842 . . . . 0.0 109.885 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.659 ' O ' HD12 ' A' ' 55' ' ' LEU . 54.0 mt-30 -73.73 -42.78 60.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.359 -0.838 . . . . 0.0 109.977 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.41 -37.8 88.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.357 -0.839 . . . . 0.0 110.104 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -73.95 -34.57 64.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.278 -0.888 . . . . 0.0 110.141 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -80.45 -31.2 37.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.224 -0.923 . . . . 0.0 110.19 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -58.07 -31.38 67.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.3 -0.875 . . . . 0.0 110.742 -179.584 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -58.45 -22.38 54.36 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.101 -1.0 . . . . 0.0 110.317 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -77.83 -38.26 46.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.261 -0.899 . . . . 0.0 109.972 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 61' ' ' ALA . 1.8 mt -57.02 -19.86 21.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.273 -0.892 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.402 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 46.5 t80 -50.04 -45.21 52.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.169 -0.957 . . . . 0.0 110.412 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mt -74.11 -34.6 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 0.0 110.206 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.421 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -71.58 -21.89 61.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 110.156 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.05 -61.75 1.34 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.242 -0.911 . . . . 0.0 110.228 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.215 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.281 0.562 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' B' ' 10' ' ' PRO . 1.8 pt-20 -159.53 54.67 0.67 Allowed Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.234 -0.916 . . . . 0.0 110.199 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.3 Cg_endo -72.99 -47.94 0.3 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.732 1.385 . . . . 0.0 110.415 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.36 -81.2 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.45 -0.781 . . . . 0.0 110.465 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' B' ' 10' ' ' PRO . 0.2 OUTLIER -156.58 23.29 0.34 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.248 -0.908 . . . . 0.0 110.159 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.548 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.5 t -82.72 -59.65 0.39 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.118 -0.989 . . . . 0.0 110.349 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.548 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 49.1 Cg_endo -74.79 -52.24 0.11 Allowed 'Trans proline' 0 C--N 1.313 -1.324 0 O-C-N 123.24 1.126 . . . . 0.0 110.379 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.6 tpt 53.66 -162.55 0.11 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.276 -0.89 . . . . 0.0 110.083 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -165.32 70.88 0.16 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.213 -0.929 . . . . 0.0 110.374 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -178.86 -43.48 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.274 -0.892 . . . . 0.0 110.064 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -177.78 133.35 0.34 Allowed Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.343 -0.848 . . . . 0.0 109.655 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.58 ' HG2' HD13 ' B' ' 22' ' ' LEU . 48.0 Cg_endo -79.17 53.57 4.77 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 O-C-N 123.373 1.196 . . . . 0.0 111.267 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.32 -66.97 0.11 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.424 -0.798 . . . . 0.0 111.593 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.36 -45.01 12.27 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.245 -0.909 . . . . 0.0 111.21 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.677 ' N ' HD12 ' B' ' 22' ' ' LEU . 7.5 mp -80.47 -43.3 21.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.209 -0.932 . . . . 0.0 109.874 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -50.54 -42.45 55.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.51 -0.744 . . . . 0.0 110.676 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -80.15 -43.71 21.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.946 . . . . 0.0 110.571 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -63.36 -34.93 78.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 110.538 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 93.9 mt -75.23 -51.48 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.189 -0.945 . . . . 0.0 110.345 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -64.17 -23.58 67.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.251 -0.905 . . . . 0.0 110.362 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.16 -59.84 2.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.22 -0.925 . . . . 0.0 110.438 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.762 ' HB3' HD23 ' B' ' 52' ' ' LEU . 0.5 OUTLIER -54.29 -30.02 49.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.92 . . . . 0.0 110.437 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -56.59 10.19 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.243 -0.91 . . . . 0.0 110.36 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.74 -22.09 59.17 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.25 -25.11 46.72 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.221 -1.164 . . . . 0.0 110.324 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.557 ' CE ' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.1 -43.73 97.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.263 -0.898 . . . . 0.0 110.527 -179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -31.45 39.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.3 -0.875 . . . . 0.0 110.682 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -77.52 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 110.602 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.858 ' HB2' ' HB2' ' B' ' 45' ' ' ALA . 7.4 m-70 -55.09 -50.44 69.18 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.148 -0.97 . . . . 0.0 110.538 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.3 -37.79 17.28 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.151 -0.968 . . . . 0.0 110.051 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -67.79 -33.29 74.52 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.322 -0.861 . . . . 0.0 109.363 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -92.22 19.41 7.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.438 -0.789 . . . . 0.0 109.616 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.433 HD23 ' CE ' ' A' ' 33' ' ' MET . 5.7 mp 55.64 23.53 6.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.48 -45.99 70.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.172 -0.955 . . . . 0.0 108.938 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.706 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 2.4 m-85 48.17 -176.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.715 -0.616 . . . . 0.0 111.152 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 29.8 tt0 66.09 -62.78 0.25 Allowed 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 121.758 0.789 . . . . 0.0 109.028 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.514 ' CD ' ' CD2' ' B' ' 36' ' ' HIS . 18.0 pt-20 -82.27 -33.03 29.3 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-O 121.355 0.598 . . . . 0.0 109.92 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.858 ' HB2' ' HB2' ' B' ' 36' ' ' HIS . . . -80.75 -44.83 18.01 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.286 -0.883 . . . . 0.0 111.195 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.703 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -74.9 -19.65 60.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.22 -0.925 . . . . 0.0 111.114 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 12.2 mm-40 -77.23 -19.84 56.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.917 -1.114 . . . . 0.0 110.305 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.733 HG23 HD23 ' B' ' 29' ' ' LEU . 70.4 mt -70.62 -28.9 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -0.882 . . . . 0.0 110.421 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.4 OUTLIER -53.22 -27.31 21.35 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.13 -0.981 . . . . 0.0 109.977 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.58 -39.36 45.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.303 -0.873 . . . . 0.0 109.874 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.662 ' O ' HD12 ' B' ' 55' ' ' LEU . 53.9 mt-30 -73.79 -42.78 60.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.978 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' B' ' 29' ' ' LEU . 0.5 OUTLIER -64.42 -37.93 89.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.351 -0.843 . . . . 0.0 110.036 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 0.6 OUTLIER -73.95 -34.45 64.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.292 -0.88 . . . . 0.0 110.153 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -80.48 -31.25 37.35 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 110.222 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.662 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.4 OUTLIER -58.09 -31.33 67.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.866 . . . . 0.0 110.786 -179.553 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' B' ' 53' ' ' HIS . 0.0 OUTLIER -58.5 -22.29 54.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.143 -0.973 . . . . 0.0 110.321 -179.758 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -77.82 -38.28 46.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 109.989 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.406 HD23 ' HB3' ' B' ' 61' ' ' ALA . 1.8 mt -57.02 -19.86 21.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.346 -0.846 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' PHE . . . . . 0.403 ' HA ' ' CD2' ' B' ' 22' ' ' LEU . 46.7 t80 -49.96 -45.32 51.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.213 -0.93 . . . . 0.0 110.414 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mt -74.05 -34.73 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.263 -0.898 . . . . 0.0 110.165 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.406 ' HB3' HD23 ' B' ' 58' ' ' LEU . . . -71.44 -21.97 61.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.279 -0.888 . . . . 0.0 110.176 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.98 -61.83 1.33 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 0.0 110.215 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.169 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.266 0.555 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.472 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -76.84 -57.51 1.19 Allowed Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.344 -0.848 . . . . 0.0 110.566 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 9' ' ' GLU . 47.1 Cg_endo -73.42 -53.79 0.12 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 O-C-N 123.576 1.303 . . . . 0.0 110.626 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.14 -80.15 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.366 -0.833 . . . . 0.0 110.358 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -148.68 22.34 1.01 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.221 -0.924 . . . . 0.0 110.074 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -78.36 -57.87 0.85 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.238 -0.914 . . . . 0.0 110.141 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 47.4 Cg_endo -74.58 -53.44 0.1 Allowed 'Trans proline' 0 C--N 1.31 -1.478 0 O-C-N 123.33 1.174 . . . . 0.0 110.216 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.2 ttt 51.12 -148.33 0.36 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.386 -0.822 . . . . 0.0 110.289 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 57.95 68.17 0.87 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.132 -0.98 . . . . 0.0 110.041 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.422 ' O ' ' CG ' ' A' ' 23' ' ' GLN . 25.2 ptt? -49.35 -27.3 3.84 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.391 -0.818 . . . . 0.0 110.549 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 0.5 OUTLIER 56.85 166.13 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.277 -0.89 . . . . 0.0 110.347 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.514 ' HG2' HD13 ' A' ' 22' ' ' LEU . 48.7 Cg_endo -78.97 49.8 3.27 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 O-C-N 123.555 1.292 . . . . 0.0 111.661 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 60.27 -72.36 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.363 -0.836 . . . . 0.0 112.339 178.809 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.04 -49.64 11.3 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.089 -1.007 . . . . 0.0 111.311 -178.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.67 HD12 ' N ' ' A' ' 22' ' ' LEU . 8.9 mp -80.56 -37.3 31.65 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.156 -0.965 . . . . 0.0 109.546 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 17' ' ' MET . 36.1 tt0 -51.03 -44.53 61.08 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.592 -0.693 . . . . 0.0 110.35 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -75.99 -50.8 13.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.303 -0.873 . . . . 0.0 110.32 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -53.57 -36.22 61.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.915 . . . . 0.0 110.286 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.988 HG23 HD11 ' A' ' 52' ' ' LEU . 96.6 mt -78.96 -46.57 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.78 -21.96 65.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.27 -0.894 . . . . 0.0 110.243 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.418 ' OE1' ' CA ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -78.77 -52.52 8.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.285 -0.884 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.554 ' HB2' HD21 ' A' ' 52' ' ' LEU . 8.5 mt -75.36 -35.54 61.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.238 -0.914 . . . . 0.0 110.235 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -67.58 -37.4 82.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.28 -29.67 55.86 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 48' ' ' ILE . 0.9 OUTLIER -62.52 -33.83 75.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.25 -1.147 . . . . 0.0 110.233 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.653 ' CE ' HD23 ' B' ' 40' ' ' LEU . 1.4 mtp -56.21 -30.51 62.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.322 -0.861 . . . . 0.0 110.219 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.64 -32.22 62.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.278 -0.889 . . . . 0.0 110.304 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -76.36 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -0.886 . . . . 0.0 110.363 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.848 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 8.7 m-70 -54.0 -49.01 69.82 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.162 -0.962 . . . . 0.0 110.375 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 33' ' ' MET . . . -48.87 -37.3 19.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.179 -0.951 . . . . 0.0 110.061 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.27 -36.07 82.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.311 -0.868 . . . . 0.0 109.572 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -92.3 20.34 6.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.415 -0.803 . . . . 0.0 109.697 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.53 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.3 mp 55.22 24.65 6.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 110.786 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' CA ' ' OE1' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -66.86 -48.35 69.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.121 -0.987 . . . . 0.0 109.122 178.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.741 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 5.3 m-85 48.93 -176.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.632 -0.668 . . . . 0.0 111.084 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.504 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 31.3 tt0 65.85 -62.37 0.25 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.772 0.796 . . . . 0.0 109.322 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' PHE . 15.6 pt-20 -82.28 -32.26 29.67 Favored 'General case' 0 C--N 1.291 -1.968 0 O-C-N 121.754 -0.591 . . . . 0.0 110.081 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.848 ' HB2' ' HB2' ' A' ' 36' ' ' HIS . . . -80.74 -44.39 18.72 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.268 -0.895 . . . . 0.0 111.21 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.751 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -75.02 -33.99 61.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.113 -0.992 . . . . 0.0 110.935 -179.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.425 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 34.9 mt-30 -54.43 -25.38 24.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.851 -1.156 . . . . 0.0 109.966 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.445 HD11 HD23 ' A' ' 32' ' ' LEU . 62.9 mt -62.81 -26.42 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 110.223 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -53.08 -26.29 15.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.142 -0.974 . . . . 0.0 109.903 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -77.84 -40.49 40.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.366 -0.834 . . . . 0.0 109.807 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.716 ' O ' HD12 ' A' ' 55' ' ' LEU . 75.0 mt-30 -64.72 -37.18 86.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.303 -0.873 . . . . 0.0 109.859 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.988 HD11 HG23 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -69.82 -42.1 74.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.873 . . . . 0.0 110.037 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -54.17 -41.07 68.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.008 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.32 -30.52 38.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 0.0 110.126 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.2 OUTLIER -69.21 -39.23 78.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 110.494 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 3.3 ppt_? -58.84 -22.34 58.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.202 -0.936 . . . . 0.0 110.266 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 33.6 mt-10 -66.05 -39.04 89.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.28 -0.887 . . . . 0.0 109.971 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.558 ' HB3' HD21 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -53.63 -22.72 9.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.344 -0.848 . . . . 0.0 110.193 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.54 -36.45 55.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.932 . . . . 0.0 110.218 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.91 -42.31 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 0.0 110.157 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.32 -21.96 65.64 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.262 -0.899 . . . . 0.0 110.147 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.55 -60.04 1.61 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 110.194 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.132 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.319 0.581 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.472 ' CB ' ' CD ' ' B' ' 10' ' ' PRO . 0.1 OUTLIER -76.83 -57.5 1.19 Allowed Pre-proline 0 N--CA 1.492 1.675 0 O-C-N 121.284 -0.885 . . . . 0.0 110.516 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' B' ' 9' ' ' GLU . 46.2 Cg_endo -73.5 -53.66 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.314 0 O-C-N 123.546 1.287 . . . . 0.0 110.589 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.05 -80.15 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.351 -0.843 . . . . 0.0 110.338 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' B' ' 10' ' ' PRO . 0.2 OUTLIER -148.64 22.28 1.02 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.227 -0.921 . . . . 0.0 110.093 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.521 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -78.36 -57.86 0.85 Allowed Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 110.072 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.521 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 48.2 Cg_endo -74.55 -53.45 0.11 Allowed 'Trans proline' 0 C--N 1.312 -1.392 0 O-C-N 123.338 1.178 . . . . 0.0 110.295 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.2 ttt 51.24 -148.47 0.36 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.385 -0.822 . . . . 0.0 110.227 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 58.01 68.13 0.87 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.115 -0.99 . . . . 0.0 110.053 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.419 ' O ' ' CG ' ' B' ' 23' ' ' GLN . 25.2 ptt? -49.24 -27.4 3.68 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.301 -0.874 . . . . 0.0 110.555 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.412 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 0.5 OUTLIER 56.83 166.11 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.257 -0.902 . . . . 0.0 110.472 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.536 ' HG2' HD13 ' B' ' 22' ' ' LEU . 49.4 Cg_endo -78.93 49.74 3.24 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 O-C-N 123.582 1.306 . . . . 0.0 111.686 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 60.26 -72.38 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.42 -0.8 . . . . 0.0 112.295 178.803 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.06 -49.52 11.49 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.144 -0.972 . . . . 0.0 111.331 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.672 ' N ' HD12 ' B' ' 22' ' ' LEU . 8.9 mp -80.66 -37.34 31.06 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.278 -0.889 . . . . 0.0 109.473 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' B' ' 17' ' ' MET . 35.9 tt0 -51.04 -44.46 61.07 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.469 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -75.99 -50.83 13.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.913 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.435 ' O ' HD12 ' B' ' 29' ' ' LEU . 0.6 OUTLIER -53.52 -36.18 61.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 0.0 110.342 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 1.046 HG23 HD11 ' B' ' 52' ' ' LEU . 96.6 mt -79.11 -46.64 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.196 -0.94 . . . . 0.0 110.176 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -22.07 64.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.268 -0.895 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.416 ' CA ' ' OE1' ' B' ' 28' ' ' GLU . 0.0 OUTLIER -78.76 -52.48 8.31 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.185 -0.947 . . . . 0.0 110.232 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.526 ' HB2' HD21 ' B' ' 52' ' ' LEU . 8.5 mt -75.4 -35.48 61.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.182 -0.949 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -67.65 -37.55 82.58 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.324 -0.86 . . . . 0.0 110.203 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.24 -29.69 55.95 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.435 HD23 HD11 ' B' ' 48' ' ' ILE . 0.9 OUTLIER -62.4 -33.87 75.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -1.13 . . . . 0.0 110.204 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.433 ' CG ' ' HB ' ' B' ' 48' ' ' ILE . 1.4 mtp -56.19 -30.4 62.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 110.314 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.81 -32.21 61.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.236 -0.915 . . . . 0.0 110.27 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -76.4 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.225 -0.922 . . . . 0.0 110.365 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.85 ' HB2' ' HB2' ' B' ' 45' ' ' ALA . 8.7 m-70 -53.97 -49.01 69.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.929 . . . . 0.0 110.366 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' B' ' 33' ' ' MET . . . -48.94 -37.04 18.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.104 -0.997 . . . . 0.0 110.077 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -36.09 82.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 0.0 109.515 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -92.26 20.2 6.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.335 -0.853 . . . . 0.0 109.745 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.653 HD23 ' CE ' ' A' ' 33' ' ' MET . 6.3 mp 55.27 24.62 6.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.407 -0.808 . . . . 0.0 110.786 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.417 ' CA ' ' OE1' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -66.78 -48.53 68.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.209 -0.932 . . . . 0.0 109.073 178.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.751 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 5.1 m-85 49.0 -176.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.603 -0.686 . . . . 0.0 111.185 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 31.3 tt0 65.83 -62.26 0.25 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.678 0.751 . . . . 0.0 109.221 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' B' ' 42' ' ' PHE . 15.6 pt-20 -82.26 -32.23 29.73 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 121.755 -0.59 . . . . 0.0 110.012 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.85 ' HB2' ' HB2' ' B' ' 36' ' ' HIS . . . -80.82 -44.65 18.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.193 -0.942 . . . . 0.0 111.287 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.741 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -74.9 -33.95 62.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.086 -1.009 . . . . 0.0 110.783 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 34.4 mt-30 -54.47 -25.43 25.2 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.843 -1.161 . . . . 0.0 109.953 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.435 HD11 HD23 ' B' ' 32' ' ' LEU . 63.1 mt -62.68 -26.38 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -0.886 . . . . 0.0 110.22 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.2 OUTLIER -53.09 -26.25 15.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.136 -0.978 . . . . 0.0 109.913 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -77.79 -40.67 39.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.396 -0.815 . . . . 0.0 109.819 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.729 ' O ' HD12 ' B' ' 55' ' ' LEU . 74.9 mt-30 -64.59 -37.24 86.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.263 -0.898 . . . . 0.0 109.9 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 1.046 HD11 HG23 ' B' ' 26' ' ' ILE . 0.5 OUTLIER -69.8 -42.12 74.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 0.0 109.998 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.427 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 0.2 OUTLIER -54.19 -40.99 68.08 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.246 -0.909 . . . . 0.0 109.947 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.38 -30.63 37.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.235 -0.916 . . . . 0.0 110.073 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.729 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.2 OUTLIER -69.07 -39.15 79.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.282 -0.886 . . . . 0.0 110.607 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' B' ' 53' ' ' HIS . 3.3 ppt_? -58.91 -22.26 59.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.168 -0.958 . . . . 0.0 110.277 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' B' ' 56' ' ' ARG . 33.6 mt-10 -66.12 -39.09 89.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.268 -0.895 . . . . 0.0 109.931 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.557 ' HB3' HD21 ' B' ' 22' ' ' LEU . 0.4 OUTLIER -53.55 -22.74 8.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.341 -0.849 . . . . 0.0 110.162 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -52.58 -36.42 56.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 0.0 110.244 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.87 -42.36 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.41 -21.87 65.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.361 -0.837 . . . . 0.0 110.142 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.63 -60.06 1.6 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.223 -0.923 . . . . 0.0 110.195 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.232 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.229 0.538 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -159.38 68.25 3.14 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.289 -0.882 . . . . 0.0 110.182 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' ASN . 47.6 Cg_endo -72.8 -51.69 0.18 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.769 1.405 . . . . 0.0 110.432 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.79 -80.55 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.434 -0.791 . . . . 0.0 110.377 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 10' ' ' PRO . 33.7 t30 -158.61 52.32 0.41 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.136 -0.978 . . . . 0.0 110.165 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.531 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -88.03 -48.39 0.45 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.955 . . . . 0.0 110.146 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.531 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 43.9 Cg_endo -82.38 -70.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.256 1.135 . . . . 0.0 110.24 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -177.46 95.58 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.225 -0.922 . . . . 0.0 110.127 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.17 59.53 0.65 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.232 -0.917 . . . . 0.0 110.248 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.8 ptm -54.83 -37.13 65.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.229 -0.919 . . . . 0.0 110.266 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.434 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 5.1 m -71.79 169.09 17.26 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.248 -0.907 . . . . 0.0 110.186 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' ALA . 46.0 Cg_endo -85.82 20.07 1.29 Allowed 'Trans proline' 0 C--N 1.312 -1.343 0 O-C-N 123.661 1.348 . . . . 0.0 111.713 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -68.05 0.1 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.268 -0.895 . . . . 0.0 111.577 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.31 -47.61 18.36 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.177 -0.952 . . . . 0.0 110.891 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.664 HD12 ' N ' ' A' ' 22' ' ' LEU . 8.9 mp -80.54 -41.64 23.8 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.348 -0.845 . . . . 0.0 109.42 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.434 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 37.4 tt0 -51.48 -51.99 50.44 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.655 -0.653 . . . . 0.0 110.374 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.3 -53.27 38.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.314 -0.866 . . . . 0.0 110.343 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -39.8 62.98 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.21 -0.931 . . . . 0.0 110.306 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.47 HG23 HD11 ' A' ' 52' ' ' LEU . 95.7 mt -75.15 -54.44 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.161 -0.962 . . . . 0.0 110.214 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -62.95 -29.44 70.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.268 -0.895 . . . . 0.0 110.291 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -77.84 -48.33 16.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.228 -0.92 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.75 HD22 HD12 ' A' ' 48' ' ' ILE . 24.3 mt -63.94 -42.16 97.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.17 -48.29 73.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.273 -0.892 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.17 -25.87 74.34 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.4 -27.96 64.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.266 -1.138 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.8 mtp -58.87 -61.38 2.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -0.927 . . . . 0.0 110.329 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.1 tpp -53.33 -39.89 64.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.221 -0.925 . . . . 0.0 110.158 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -73.88 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.852 . . . . 0.0 110.057 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.812 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 5.1 m-70 -52.62 -46.18 66.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.325 -0.859 . . . . 0.0 110.225 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.61 -43.73 72.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.039 -1.038 . . . . 0.0 109.153 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -59.62 -32.11 70.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.322 -0.861 . . . . 0.0 109.127 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -89.85 15.26 10.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.419 -0.801 . . . . 0.0 109.513 178.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.6 mp 56.7 20.13 4.84 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.47 -0.769 . . . . 0.0 111.246 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' GLU . 1.2 mm-40 -65.33 -51.96 57.08 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.881 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 3.1 m-85 61.71 -57.45 0.11 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 178.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' GLU . 25.5 tt0 -47.88 -59.41 3.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.807 -1.183 . . . . 0.0 109.477 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' A' ' 36' ' ' HIS . 13.0 pt-20 -81.4 -19.44 42.59 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.667 -0.646 . . . . 0.0 110.304 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.812 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -82.04 -51.14 8.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.111 -0.993 . . . . 0.0 112.071 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.868 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -80.23 -20.04 45.53 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.103 -0.998 . . . . 0.0 111.546 -178.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 48' ' ' ILE . 7.2 pt20 -67.67 -26.95 66.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.768 -1.207 . . . . 0.0 109.346 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.75 HD12 HD22 ' A' ' 29' ' ' LEU . 40.7 mm -56.84 -28.92 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.188 -0.945 . . . . 0.0 109.206 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -30.86 47.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.537 -0.727 . . . . 0.0 109.495 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -76.16 -35.73 59.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.882 . . . . 0.0 109.845 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.75 ' O ' HD12 ' A' ' 55' ' ' LEU . 22.4 mt-30 -76.24 -42.57 45.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.0 110.025 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -61.72 -46.65 88.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 110.215 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.3 -40.85 74.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -71.03 -49.89 39.97 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.194 -0.941 . . . . 0.0 110.241 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.75 HD12 ' O ' ' A' ' 51' ' ' GLN . 5.2 mt -55.14 -21.42 13.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.314 -0.867 . . . . 0.0 110.244 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -52.36 56.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 110.267 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.53 -33.75 73.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.92 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 55' ' ' LEU . 38.4 mt -68.97 -23.04 64.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.247 -0.908 . . . . 0.0 110.209 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -58.3 -48.13 81.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.25 -0.906 . . . . 0.0 110.163 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -72.83 -45.47 56.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.947 . . . . 0.0 110.217 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.49 -27.42 25.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.19 -61.19 1.62 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.286 -0.884 . . . . 0.0 110.218 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.212 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.289 0.566 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -159.3 68.17 3.16 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.205 -0.934 . . . . 0.0 110.21 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.4 Cg_endo -72.84 -51.6 0.18 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 O-C-N 123.72 1.379 . . . . 0.0 110.427 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.78 -80.56 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.488 -0.758 . . . . 0.0 110.427 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' B' ' 10' ' ' PRO . 33.6 t30 -158.66 52.36 0.41 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.179 -0.951 . . . . 0.0 110.112 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.516 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -88.1 -48.34 0.45 Allowed Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.153 -0.967 . . . . 0.0 110.164 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.516 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 44.3 Cg_endo -82.31 -70.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.35 0 O-C-N 123.299 1.157 . . . . 0.0 110.313 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -177.37 95.62 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -0.91 . . . . 0.0 110.151 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.14 59.49 0.65 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.257 -0.902 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 14.7 ptm -54.9 -37.18 66.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 110.141 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.428 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 5.2 m -71.81 169.11 17.2 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.314 -0.866 . . . . 0.0 110.182 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' B' ' 21' ' ' ALA . 46.5 Cg_endo -85.81 20.11 1.29 Allowed 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.712 1.375 . . . . 0.0 111.671 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.88 -68.02 0.09 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.319 -0.863 . . . . 0.0 111.646 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.3 -47.66 18.31 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.122 -0.986 . . . . 0.0 110.913 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.667 ' N ' HD12 ' B' ' 22' ' ' LEU . 8.9 mp -80.49 -41.62 24.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.253 -0.904 . . . . 0.0 109.399 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.428 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 37.5 tt0 -51.4 -52.11 48.85 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.665 -0.647 . . . . 0.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.18 -53.31 38.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.332 -0.855 . . . . 0.0 110.385 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -39.76 63.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.24 -0.913 . . . . 0.0 110.328 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.468 HG23 HD11 ' B' ' 52' ' ' LEU . 95.5 mt -75.08 -54.44 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.159 -0.963 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -63.01 -29.33 70.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.226 -0.922 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -77.97 -48.33 16.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.221 -0.924 . . . . 0.0 110.239 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.74 HD22 HD12 ' B' ' 48' ' ' ILE . 24.5 mt -63.85 -42.18 97.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.234 -0.916 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.29 -48.26 74.34 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.202 -0.936 . . . . 0.0 110.261 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.11 -25.82 74.31 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -70.58 -28.04 64.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.189 -1.183 . . . . 0.0 110.205 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.427 ' CE ' HD23 ' A' ' 40' ' ' LEU . 1.8 mtp -58.83 -61.33 2.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 0.0 110.366 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 34.4 tpp -53.3 -39.89 64.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.167 -0.958 . . . . 0.0 110.193 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -53.06 -73.9 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.312 -0.868 . . . . 0.0 110.081 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.81 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 5.1 m-70 -52.58 -46.19 66.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.204 -0.935 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.81 72.81 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.122 -0.986 . . . . 0.0 109.203 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' B' ' 35' ' ' GLN . 2.0 mt-30 -59.4 -32.17 69.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.363 -0.835 . . . . 0.0 109.1 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -89.79 15.2 10.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.49 -0.756 . . . . 0.0 109.513 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.543 ' N ' HD12 ' B' ' 40' ' ' LEU . 6.5 mp 56.58 20.27 4.82 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.501 -0.749 . . . . 0.0 111.272 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 43' ' ' GLU . 1.2 mm-40 -65.42 -51.81 57.67 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.868 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 3.0 m-85 61.69 -57.47 0.11 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 178.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 41' ' ' GLU . 25.4 tt0 -47.88 -59.56 3.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.753 -1.217 . . . . 0.0 109.507 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.474 ' HG3' ' CD2' ' B' ' 36' ' ' HIS . 13.0 pt-20 -81.38 -19.27 43.0 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.657 -0.652 . . . . 0.0 110.333 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.81 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -82.2 -50.96 8.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.071 -1.018 . . . . 0.0 111.938 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.881 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -80.34 -20.01 45.17 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.209 -0.932 . . . . 0.0 111.558 -178.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' B' ' 48' ' ' ILE . 7.2 pt20 -67.67 -26.86 66.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.863 -1.148 . . . . 0.0 109.344 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.74 HD12 HD22 ' B' ' 29' ' ' LEU . 40.8 mm -56.95 -28.91 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.227 -0.921 . . . . 0.0 109.173 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -30.82 47.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.557 -0.715 . . . . 0.0 109.568 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -76.26 -35.61 58.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 109.831 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.759 ' O ' HD12 ' B' ' 55' ' ' LEU . 22.3 mt-30 -76.23 -42.64 45.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.898 . . . . 0.0 110.057 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.496 HD23 ' HB3' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -61.73 -46.62 88.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 110.163 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -40.9 75.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.322 -0.861 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -70.9 -50.0 39.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.759 HD12 ' O ' ' B' ' 51' ' ' GLN . 5.2 mt -55.11 -21.37 12.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.229 -0.92 . . . . 0.0 110.321 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -52.26 57.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 110.334 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.51 -34.05 73.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.249 -0.907 . . . . 0.0 110.169 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' B' ' 55' ' ' LEU . 38.7 mt -68.83 -23.04 64.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.301 -0.875 . . . . 0.0 110.228 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.24 -48.06 81.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 110.296 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -72.87 -45.36 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 0.0 110.217 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.63 -27.46 27.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.257 -0.902 . . . . 0.0 110.217 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.06 -61.29 1.61 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.922 . . . . 0.0 110.198 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.172 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.306 0.574 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 5.6 mt-10 53.09 55.1 13.63 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.22 -0.925 . . . . 0.0 110.26 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.4 Cg_endo -72.82 -46.41 0.42 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.767 1.404 . . . . 0.0 110.407 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.54 -82.25 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.537 -0.727 . . . . 0.0 110.38 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 10' ' ' PRO . 2.5 p-10 -154.32 22.08 0.48 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.193 -0.942 . . . . 0.0 110.28 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.526 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -88.62 -48.07 0.43 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.254 -0.903 . . . . 0.0 110.249 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.526 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 43.2 Cg_endo -82.45 -75.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.337 1.177 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -176.38 167.08 2.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.18 -0.95 . . . . 0.0 110.186 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -119.28 35.99 4.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.273 -0.892 . . . . 0.0 110.253 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -54.63 -28.68 48.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.242 -0.911 . . . . 0.0 110.16 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 10.5 m 56.2 169.69 0.05 OUTLIER Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.268 -0.895 . . . . 0.0 110.298 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.444 ' HG2' HD13 ' A' ' 22' ' ' LEU . 46.4 Cg_endo -86.28 19.64 1.36 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.659 1.347 . . . . 0.0 111.662 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? 63.86 -68.0 0.09 Allowed 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.323 -0.861 . . . . 0.0 111.576 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.16 -46.62 17.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.208 -0.932 . . . . 0.0 110.998 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.661 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.1 mp -80.47 -42.85 21.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.267 -0.896 . . . . 0.0 109.426 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.437 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 20.7 tt0 -51.97 -44.82 64.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.682 -0.636 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -46.97 61.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.194 -0.941 . . . . 0.0 110.188 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -60.69 -49.25 78.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 81.7 mt -54.4 -56.77 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 0.0 110.148 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.88 -19.93 65.82 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.229 -0.92 . . . . 0.0 110.325 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.61 -47.57 16.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -0.934 . . . . 0.0 110.224 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 mt -52.84 -37.26 59.94 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 110.235 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -45.12 83.67 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.295 -0.878 . . . . 0.0 110.18 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.96 -32.42 82.03 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -78.04 -23.18 48.26 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.251 -1.147 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.582 ' HE3' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -61.87 -58.86 6.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.283 -0.885 . . . . 0.0 110.395 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.4 ttm -63.06 -31.93 73.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.227 -0.92 . . . . 0.0 110.308 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -76.3 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.93 . . . . 0.0 110.298 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.785 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 23.3 m-70 -52.48 -50.86 61.88 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.19 -0.944 . . . . 0.0 110.41 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.76 -43.91 38.2 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.169 -0.957 . . . . 0.0 110.064 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -58.9 -33.42 70.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 0.0 109.266 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -91.6 17.13 9.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.379 -0.826 . . . . 0.0 109.623 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD23 ' CE ' ' B' ' 33' ' ' MET . 5.6 mp 55.9 25.41 8.58 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.41 -0.806 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -69.57 -45.86 67.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.113 -0.992 . . . . 0.0 109.021 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.641 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 7.4 m-85 48.93 -177.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.665 -0.647 . . . . 0.0 111.274 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 30.1 tt0 66.18 -63.25 0.24 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.774 0.797 . . . . 0.0 109.033 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.47 ' OE1' ' CD2' ' A' ' 36' ' ' HIS . 11.6 pt-20 -82.62 -31.45 28.85 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-O 121.369 0.604 . . . . 0.0 109.708 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.785 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -80.96 -46.26 15.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.424 -0.798 . . . . 0.0 111.135 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.642 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -74.38 -19.55 60.39 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.272 -0.892 . . . . 0.0 110.977 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 14.9 mm-40 -72.91 -19.81 61.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.959 -1.088 . . . . 0.0 110.212 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.475 HD13 ' OE1' ' A' ' 51' ' ' GLN . 50.5 mm -70.36 -29.49 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.118 -0.989 . . . . 0.0 110.69 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.582 ' HA ' ' HE3' ' A' ' 33' ' ' MET . 0.7 OUTLIER -52.88 -27.48 18.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.028 -1.045 . . . . 0.0 110.107 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.03 -36.41 41.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.371 -0.831 . . . . 0.0 109.785 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.475 ' OE1' HD13 ' A' ' 48' ' ' ILE . 29.6 mt-30 -68.41 -33.99 75.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.885 . . . . 0.0 110.021 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 52' ' ' LEU . 2.7 mt -54.03 -52.02 62.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.874 . . . . 0.0 110.011 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -70.49 -38.35 74.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.355 -0.84 . . . . 0.0 110.121 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.94 -43.66 98.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.107 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 51' ' ' GLN . 2.0 mp -71.13 -23.97 62.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.247 -0.908 . . . . 0.0 110.147 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -59.47 -53.53 57.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.255 -0.903 . . . . 0.0 110.145 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.6 pt-20 -62.67 -23.37 67.08 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 0.0 110.147 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.473 HD23 HD21 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -70.95 -22.15 62.25 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.208 -0.933 . . . . 0.0 110.145 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -53.31 -47.0 69.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 0.0 110.183 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.5 mt -66.45 -48.79 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.911 . . . . 0.0 110.152 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.34 -24.46 29.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 110.091 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.33 -70.98 0.67 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.274 -0.891 . . . . 0.0 110.202 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.266 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.168 0.509 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.412 ' N ' ' CD ' ' B' ' 10' ' ' PRO . 5.6 mt-10 53.03 55.16 13.74 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.323 -0.861 . . . . 0.0 110.269 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.3 Cg_endo -72.93 -46.36 0.4 Allowed 'Trans proline' 0 C--N 1.312 -1.371 0 O-C-N 123.701 1.369 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.55 -82.17 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.463 -0.773 . . . . 0.0 110.458 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 10' ' ' PRO . 2.5 p-10 -154.34 22.09 0.48 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.217 -0.927 . . . . 0.0 110.218 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.53 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -88.62 -48.04 0.43 Allowed Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.265 -0.897 . . . . 0.0 110.291 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.53 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 43.7 Cg_endo -82.5 -75.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.354 0 O-C-N 123.255 1.134 . . . . 0.0 110.43 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -176.42 167.1 2.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.165 -0.959 . . . . 0.0 110.173 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -119.34 36.0 4.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 110.239 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -54.63 -28.77 49.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.949 . . . . 0.0 110.108 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.438 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 10.6 m 56.14 169.72 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.313 -0.867 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.45 ' HG2' HD13 ' B' ' 22' ' ' LEU . 45.7 Cg_endo -86.27 19.62 1.36 Allowed 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.696 1.367 . . . . 0.0 111.628 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? 63.89 -68.17 0.09 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.325 -0.859 . . . . 0.0 111.625 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.99 -46.76 16.6 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.141 -0.974 . . . . 0.0 111.002 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.658 ' N ' HD12 ' B' ' 22' ' ' LEU . 9.2 mp -80.5 -42.75 21.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -0.911 . . . . 0.0 109.415 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.438 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 20.8 tt0 -52.01 -44.84 64.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.654 -0.654 . . . . 0.0 110.345 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -47.12 61.32 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.923 . . . . 0.0 110.246 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -60.53 -49.33 77.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.219 -0.926 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 81.9 mt -54.4 -56.77 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.135 -0.978 . . . . 0.0 110.152 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.87 -19.94 65.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.207 -0.933 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.59 -47.5 17.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.275 -0.891 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mt -52.9 -37.22 60.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.227 -0.92 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -45.15 83.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.309 -0.87 . . . . 0.0 110.193 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.5 82.27 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -77.98 -23.1 48.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -1.125 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.57 ' HE3' ' HA ' ' B' ' 49' ' ' ARG . 0.0 OUTLIER -61.91 -58.88 6.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.321 -0.862 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.5 ttm -63.09 -31.87 73.12 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.245 -0.909 . . . . 0.0 110.307 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -76.33 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.264 -0.897 . . . . 0.0 110.315 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.797 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 23.4 m-70 -52.39 -50.98 61.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 110.388 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.75 -43.78 37.93 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.197 -0.939 . . . . 0.0 110.11 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -58.97 -33.44 70.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.256 -0.902 . . . . 0.0 109.216 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -91.61 17.22 9.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.438 -0.789 . . . . 0.0 109.596 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mp 55.82 25.46 8.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.513 -0.742 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -69.51 -45.97 67.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.188 -0.945 . . . . 0.0 109.003 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.642 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 7.3 m-85 49.01 -177.57 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.676 -0.64 . . . . 0.0 111.282 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 30.1 tt0 66.15 -63.23 0.24 Allowed 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 121.815 0.817 . . . . 0.0 108.995 -178.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.473 ' OE1' ' CD2' ' B' ' 36' ' ' HIS . 11.6 pt-20 -82.69 -31.45 28.6 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.419 0.628 . . . . 0.0 109.677 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.797 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.89 -46.28 15.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.3 -0.875 . . . . 0.0 111.11 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.641 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -74.43 -19.53 60.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.136 -0.978 . . . . 0.0 110.981 -178.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 14.8 mm-40 -72.98 -19.71 61.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.956 -1.09 . . . . 0.0 110.202 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.493 HD13 ' OE1' ' B' ' 51' ' ' GLN . 50.6 mm -70.38 -29.52 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.155 -0.966 . . . . 0.0 110.601 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.57 ' HA ' ' HE3' ' B' ' 33' ' ' MET . 0.7 OUTLIER -52.81 -27.55 18.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.039 -1.038 . . . . 0.0 110.149 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.0 -36.43 41.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.307 -0.871 . . . . 0.0 109.808 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.493 ' OE1' HD13 ' B' ' 48' ' ' ILE . 29.9 mt-30 -68.4 -34.01 75.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.323 -0.861 . . . . 0.0 109.984 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' ' 52' ' ' LEU . 2.7 mt -54.05 -51.94 62.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.294 -0.879 . . . . 0.0 109.976 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -70.53 -38.5 74.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.26 -0.9 . . . . 0.0 109.976 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.81 -43.81 97.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.251 -0.905 . . . . 0.0 110.095 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.419 ' CD1' ' O ' ' B' ' 51' ' ' GLN . 2.0 mp -71.07 -24.09 62.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.309 -0.869 . . . . 0.0 110.102 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -59.37 -53.6 56.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.316 -0.865 . . . . 0.0 110.158 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.5 pt-20 -62.67 -23.32 67.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.347 -0.846 . . . . 0.0 110.161 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.47 HD23 HD21 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -70.94 -22.17 62.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.317 -0.865 . . . . 0.0 110.187 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -53.21 -47.06 69.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.249 -0.907 . . . . 0.0 110.116 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 10.4 mt -66.49 -48.89 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.263 -0.898 . . . . 0.0 110.143 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.12 -24.6 26.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.913 . . . . 0.0 110.157 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.34 -71.02 0.67 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.227 -0.921 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.239 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' C ' HD23 ' A' ' 8' ' ' LEU . 4.0 tt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.199 0.523 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 53.22 74.53 0.76 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.258 -0.901 . . . . 0.0 110.182 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.6 Cg_endo -72.92 -50.8 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.431 0 O-C-N 123.672 1.354 . . . . 0.0 110.468 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.42 -79.21 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.415 -0.803 . . . . 0.0 110.471 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' PRO . 2.3 p-10 -145.23 25.45 1.38 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.226 -0.921 . . . . 0.0 110.045 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.523 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.1 t -54.5 -49.12 92.72 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.39 -0.819 . . . . 0.0 110.145 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 45.1 Cg_endo -80.17 -85.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.318 0 O-C-N 123.267 1.141 . . . . 0.0 110.116 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.32 85.44 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.076 -1.015 . . . . 0.0 110.325 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -175.83 70.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 0.0 110.093 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.46 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 4.8 ptp -56.18 -33.89 65.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.199 -0.938 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.483 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -176.43 -60.37 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.137 -0.977 . . . . 0.0 110.683 179.595 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.528 ' HB3' HD22 ' A' ' 22' ' ' LEU . 40.4 Cg_endo -71.6 -86.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.273 0 O-C-N 123.367 1.193 . . . . 0.0 111.646 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 68.94 -66.54 0.24 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.386 -0.821 . . . . 0.0 108.983 -178.694 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CD ' ' A' ' 25' ' ' LYS . . . -57.18 -28.21 62.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.117 -0.989 . . . . 0.0 108.82 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 22' ' ' LEU . 8.2 mp -77.79 -48.87 15.53 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -50.01 -55.82 13.16 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.497 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -45.31 93.82 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.359 -0.838 . . . . 0.0 110.416 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 21' ' ' ALA . 3.4 mttp -62.28 -52.97 61.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.119 -0.988 . . . . 0.0 110.365 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.1 mt -53.0 -50.7 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 110.238 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.46 -19.87 63.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.278 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.16 -39.18 55.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 110.242 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' O ' HG21 ' A' ' 48' ' ' ILE . 18.3 mt -78.82 -40.91 31.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -0.909 . . . . 0.0 110.151 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.802 ' HB2' HD11 ' A' ' 52' ' ' LEU . 20.4 tt0 -53.3 -42.44 66.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.176 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.18 -21.06 65.9 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 32' ' ' LEU . 29.1 tp -56.43 -55.99 26.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -1.206 . . . . 0.0 110.406 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.658 ' HA ' ' HB1' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -79.52 -19.83 48.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.068 -1.02 . . . . 0.0 110.205 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.478 ' SD ' ' NE2' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -59.89 -53.93 52.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.125 -0.984 . . . . 0.0 109.963 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 36' ' ' HIS . 6.2 pt20 -54.35 -24.95 21.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.17 -0.956 . . . . 0.0 109.65 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.49 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 2.7 m170 -80.19 -55.42 4.93 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.433 -0.792 . . . . 0.0 109.83 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.064 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -49.91 -35.86 25.35 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.207 -0.933 . . . . 0.0 109.546 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.478 ' NE2' ' SD ' ' A' ' 34' ' ' MET . 34.6 mt-30 -71.26 -36.88 71.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.404 -0.81 . . . . 0.0 109.211 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -95.46 25.66 4.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.463 -0.773 . . . . 0.0 109.68 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp 56.1 44.97 24.39 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.6 -0.687 . . . . 0.0 110.762 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 4.3 mm-40 -128.11 18.02 6.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 0.0 109.954 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.01 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 7.3 p90 -60.42 -9.6 3.8 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.454 -0.779 . . . . 0.0 111.724 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -49.52 -68.08 0.21 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.553 -1.342 . . . . 0.0 109.305 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 4.0 pt-20 -81.34 -19.35 42.99 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.576 -0.702 . . . . 0.0 109.624 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 1.01 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -77.57 -54.34 6.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.325 -0.859 . . . . 0.0 111.33 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.679 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -44.53 -29.99 0.81 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.352 -0.842 . . . . 0.0 111.117 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -55.74 -32.94 63.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.034 -1.042 . . . . 0.0 109.704 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.02 HG22 HD23 ' A' ' 52' ' ' LEU . 35.6 mm -51.26 -33.21 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.318 -0.864 . . . . 0.0 109.725 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -29.68 4.51 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.507 -0.745 . . . . 0.0 109.525 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.17 -40.2 78.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.428 -0.795 . . . . 0.0 109.235 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.588 ' O ' HD12 ' A' ' 55' ' ' LEU . 28.3 mt-30 -80.22 -30.83 38.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.437 -0.789 . . . . 0.0 109.685 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.02 HD23 HG22 ' A' ' 48' ' ' ILE . 1.2 mm? -65.41 -40.5 93.48 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.456 -0.777 . . . . 0.0 110.152 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -74.53 -39.55 62.29 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.925 . . . . 0.0 110.158 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -64.66 -51.97 59.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.225 -0.922 . . . . 0.0 110.259 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -62.46 -32.23 73.08 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.843 . . . . 0.0 110.153 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.07 -47.3 86.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.233 -0.917 . . . . 0.0 110.186 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.22 -32.8 49.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.274 -0.891 . . . . 0.0 110.197 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.72 -32.73 60.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.156 -0.965 . . . . 0.0 110.176 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.93 -44.8 74.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.237 -0.914 . . . . 0.0 110.151 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.38 -41.26 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.305 -0.872 . . . . 0.0 110.117 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.71 -21.44 64.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.237 -0.914 . . . . 0.0 110.246 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -104.05 -58.77 1.83 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.228 -0.92 . . . . 0.0 110.141 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.972 -1.014 . . . . 0.0 110.23 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.4 HD23 ' C ' ' B' ' 8' ' ' LEU . 4.0 tt . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.232 0.539 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 53.19 74.54 0.75 Allowed Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.222 -0.924 . . . . 0.0 110.221 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.3 Cg_endo -72.97 -50.81 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.428 0 O-C-N 123.757 1.398 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.55 -79.21 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.379 -0.826 . . . . 0.0 110.468 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 10' ' ' PRO . 2.3 p-10 -145.23 25.43 1.38 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.081 -1.012 . . . . 0.0 110.155 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.5 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.1 t -54.5 -49.09 92.88 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.276 -0.89 . . . . 0.0 110.133 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.5 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 44.8 Cg_endo -80.27 -85.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.373 0 O-C-N 123.415 1.218 . . . . 0.0 110.134 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.38 85.44 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.064 -1.022 . . . . 0.0 110.27 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -175.81 70.22 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.0 110.125 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.448 ' CG ' ' HD2' ' B' ' 19' ' ' PRO . 4.8 ptp -56.2 -33.94 65.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 0.0 110.278 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.488 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 0.4 OUTLIER -176.32 -60.3 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.053 -1.029 . . . . 0.0 110.684 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.542 ' HB3' HD22 ' B' ' 22' ' ' LEU . 40.1 Cg_endo -71.68 -86.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.3 0 O-C-N 123.387 1.203 . . . . 0.0 111.663 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 68.88 -66.47 0.25 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.319 -0.863 . . . . 0.0 109.015 -178.676 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.417 ' O ' ' CD ' ' B' ' 25' ' ' LYS . . . -57.28 -28.08 62.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.165 -0.959 . . . . 0.0 108.806 178.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.665 ' N ' HD12 ' B' ' 22' ' ' LEU . 8.3 mp -77.77 -48.99 15.28 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -49.9 -55.82 12.91 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.552 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.31 93.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.871 . . . . 0.0 110.445 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' B' ' 21' ' ' ALA . 3.4 mttp -62.35 -53.03 61.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.264 -0.898 . . . . 0.0 110.366 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.2 mt -52.88 -50.76 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.133 -0.979 . . . . 0.0 110.209 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.37 -19.96 63.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.349 -0.845 . . . . 0.0 110.268 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.13 -39.06 55.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.218 -0.926 . . . . 0.0 110.34 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.518 ' O ' HG21 ' B' ' 48' ' ' ILE . 18.2 mt -78.9 -40.91 30.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.197 -0.939 . . . . 0.0 110.103 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.824 ' HB2' HD11 ' B' ' 52' ' ' LEU . 20.5 tt0 -53.38 -42.32 66.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.855 . . . . 0.0 110.201 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.17 -21.19 65.64 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 29.2 tp -56.41 -56.09 25.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.204 -1.174 . . . . 0.0 110.369 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.657 ' HA ' ' HB1' ' B' ' 45' ' ' ALA . 0.3 OUTLIER -79.37 -19.92 48.99 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.122 -0.986 . . . . 0.0 110.253 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.465 ' SD ' ' NE2' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -59.84 -53.99 51.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.165 -0.959 . . . . 0.0 109.987 179.715 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' B' ' 36' ' ' HIS . 6.2 pt20 -54.26 -25.06 21.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -0.999 . . . . 0.0 109.567 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.501 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 2.7 m170 -80.24 -55.37 4.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.474 -0.766 . . . . 0.0 109.777 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 1.064 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -49.83 -35.96 24.9 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.566 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.465 ' NE2' ' SD ' ' B' ' 34' ' ' MET . 34.6 mt-30 -71.32 -36.7 71.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.424 -0.797 . . . . 0.0 109.252 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -95.47 25.54 4.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.495 -0.753 . . . . 0.0 109.667 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mp 56.06 44.99 24.46 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.572 -0.705 . . . . 0.0 110.749 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.447 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 4.3 mm-40 -128.07 18.13 6.61 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.317 -0.865 . . . . 0.0 109.954 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 1.0 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 7.3 p90 -60.39 -9.58 3.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.437 -0.789 . . . . 0.0 111.779 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -49.59 -68.1 0.2 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.56 -1.338 . . . . 0.0 109.298 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 4.0 pt-20 -81.28 -19.36 43.15 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.523 -0.736 . . . . 0.0 109.634 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 1.0 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -77.61 -54.3 6.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.386 -0.821 . . . . 0.0 111.209 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.677 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -44.65 -29.94 0.84 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.39 -0.819 . . . . 0.0 111.063 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -55.77 -32.9 63.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.035 -1.04 . . . . 0.0 109.738 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.964 HG22 HD23 ' B' ' 52' ' ' LEU . 35.4 mm -51.3 -33.18 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.228 -0.92 . . . . 0.0 109.707 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.63 -29.61 4.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.484 -0.76 . . . . 0.0 109.483 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.11 -40.25 78.46 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.379 -0.826 . . . . 0.0 109.213 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.582 ' O ' HD12 ' B' ' 55' ' ' LEU . 28.4 mt-30 -80.36 -30.71 37.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.451 -0.78 . . . . 0.0 109.68 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.964 HD23 HG22 ' B' ' 48' ' ' ILE . 1.2 mm? -65.37 -40.54 93.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.422 -0.799 . . . . 0.0 110.181 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -74.56 -39.45 62.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 110.162 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.95 -51.83 59.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.889 . . . . 0.0 110.15 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.582 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.3 OUTLIER -62.49 -32.22 73.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.173 -0.954 . . . . 0.0 110.146 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.15 -47.31 86.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.3 -0.875 . . . . 0.0 110.12 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.06 -32.97 49.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.234 -0.916 . . . . 0.0 110.245 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.49 -32.88 60.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.888 . . . . 0.0 110.185 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.9 -44.82 74.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.908 . . . . 0.0 110.194 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.3 -41.3 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.202 -0.936 . . . . 0.0 110.114 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.7 -21.56 64.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.0 110.26 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.87 -58.74 1.83 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.929 . . . . 0.0 110.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.228 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.221 0.534 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -141.16 72.48 27.05 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.903 . . . . 0.0 110.163 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' ASN . 47.3 Cg_endo -72.93 -49.31 0.25 Allowed 'Trans proline' 0 C--N 1.311 -1.432 0 O-C-N 123.726 1.382 . . . . 0.0 110.468 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.41 -80.94 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.401 -0.812 . . . . 0.0 110.437 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -139.77 23.99 2.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.201 -0.937 . . . . 0.0 110.186 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.523 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -76.83 -58.32 1.09 Allowed Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.189 -0.945 . . . . 0.0 109.947 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 48.4 Cg_endo -74.56 -48.23 0.2 Allowed 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.364 1.191 . . . . 0.0 110.142 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.6 tpt 54.44 99.67 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.454 -0.779 . . . . 0.0 110.169 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -110.74 -90.38 0.48 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.249 -0.907 . . . . 0.0 110.417 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 18' ' ' SER . 24.7 ptt? -176.78 -32.15 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.291 -0.88 . . . . 0.0 110.703 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' A' ' 17' ' ' MET . 3.4 m 62.17 159.21 0.12 Allowed Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.135 -0.978 . . . . 0.0 110.146 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.461 ' HG2' ' HB3' ' A' ' 22' ' ' LEU . 45.8 Cg_endo -70.46 -13.46 32.93 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.78 1.41 . . . . 0.0 111.326 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 24' ' ' GLN . 0.1 OUTLIER 64.42 -69.58 0.09 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.455 -0.778 . . . . 0.0 110.889 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.18 -52.73 14.9 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.1 -1.0 . . . . 0.0 110.29 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.69 HD23 ' C ' ' A' ' 22' ' ' LEU . 5.3 tt -67.56 -68.6 0.37 Allowed 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.52 -0.737 . . . . 0.0 109.071 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -44.13 -29.61 0.64 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.712 -0.617 . . . . 0.0 111.049 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 14.1 tm0? -80.2 -31.7 38.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.1 -1.0 . . . . 0.0 110.075 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -72.97 -49.67 27.77 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.338 -0.851 . . . . 0.0 110.21 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.597 ' CD1' HD21 ' A' ' 22' ' ' LEU . 73.6 mt -60.08 -45.65 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -58.88 -23.02 60.49 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.304 -0.872 . . . . 0.0 110.38 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.11 -34.13 38.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.173 -0.955 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.3 mt -78.57 -38.85 39.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 0.0 110.204 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.74 -45.14 78.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 0.0 110.195 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.28 -28.28 72.82 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.546 ' HB3' HD13 ' A' ' 48' ' ' ILE . 4.4 tp -58.33 -41.99 85.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.201 -1.176 . . . . 0.0 110.166 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.817 ' HE1' HD23 ' B' ' 40' ' ' LEU . 7.7 mtp -56.49 -42.87 79.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.233 -0.917 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.422 ' CE ' ' O ' ' B' ' 38' ' ' GLN . 0.3 OUTLIER -51.16 -37.37 45.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.274 -0.891 . . . . 0.0 110.648 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -78.15 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.923 . . . . 0.0 110.612 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.65 ' ND1' ' HB2' ' A' ' 45' ' ' ALA . 5.0 m170 -54.71 -52.5 62.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.316 -0.865 . . . . 0.0 110.91 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.49 -30.67 2.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.232 -0.918 . . . . 0.0 110.254 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.466 ' O ' ' HE1' ' B' ' 34' ' ' MET . 18.5 mt-30 -80.03 -34.49 38.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.345 -0.847 . . . . 0.0 109.426 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -95.52 25.09 4.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.37 -0.831 . . . . 0.0 109.61 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.805 HD23 ' HE1' ' B' ' 33' ' ' MET . 5.0 mp 54.34 29.0 10.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.571 -0.706 . . . . 0.0 110.583 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . 15.0 mt-10 -107.18 18.48 21.64 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.142 -0.974 . . . . 0.0 109.952 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.026 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.9 p90 -61.25 -8.23 3.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.464 -0.772 . . . . 0.0 112.024 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -49.28 -67.86 0.23 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.497 -1.377 . . . . 0.0 109.357 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 4.6 pt-20 -81.72 -19.33 41.69 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.523 -0.736 . . . . 0.0 109.661 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 1.026 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -77.52 -51.09 11.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.435 -0.79 . . . . 0.0 111.602 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.711 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -50.56 -24.21 3.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.975 -1.078 . . . . 0.0 110.399 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -53.02 -31.78 43.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.978 -1.076 . . . . 0.0 109.544 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.546 HD13 ' HB3' ' A' ' 32' ' ' LEU . 67.2 mt -53.95 -27.76 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.318 -0.864 . . . . 0.0 108.926 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -51.52 -34.79 37.76 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.583 -0.698 . . . . 0.0 109.21 178.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.61 -35.69 80.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.385 -0.822 . . . . 0.0 109.322 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.848 ' O ' HD12 ' A' ' 55' ' ' LEU . 27.6 mt-30 -76.3 -38.13 56.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 109.593 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.414 HD13 HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -67.49 -43.48 80.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.397 -0.814 . . . . 0.0 109.933 179.647 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -71.87 -40.22 69.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.56 -44.59 74.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.27 -0.894 . . . . 0.0 110.089 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 51' ' ' GLN . 2.4 mt -59.94 -23.64 63.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.249 -0.907 . . . . 0.0 110.1 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -53.25 -47.94 68.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.134 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -62.89 -44.64 95.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 110.022 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.52 -22.15 42.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.312 -0.867 . . . . 0.0 110.218 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.419 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . 8.5 t80 -53.19 -45.32 68.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.0 110.176 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 84.1 mt -76.53 -35.68 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.249 -0.907 . . . . 0.0 110.14 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.16 65.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.929 . . . . 0.0 110.069 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.63 -73.6 0.47 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.349 -0.844 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.184 -0.948 . . . . 0.0 110.213 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.229 0.538 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -141.08 72.39 27.49 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.231 -0.918 . . . . 0.0 110.204 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' B' ' 12' ' ' ASN . 45.8 Cg_endo -72.91 -49.43 0.24 Allowed 'Trans proline' 0 C--N 1.31 -1.45 0 O-C-N 123.751 1.395 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.6 -80.95 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.505 -0.747 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 10' ' ' PRO . 0.2 OUTLIER -139.84 24.05 2.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.25 -0.906 . . . . 0.0 110.086 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.523 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -76.89 -58.27 1.08 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.252 -0.905 . . . . 0.0 109.952 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 48.1 Cg_endo -74.57 -48.16 0.2 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.432 1.228 . . . . 0.0 110.184 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 14.6 tpt 54.44 99.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.315 -0.865 . . . . 0.0 110.141 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -110.71 -90.45 0.48 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.114 -0.991 . . . . 0.0 110.483 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' B' ' 18' ' ' SER . 24.7 ptt? -176.81 -32.05 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.276 -0.89 . . . . 0.0 110.666 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' B' ' 17' ' ' MET . 3.4 m 62.09 159.26 0.12 Allowed Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 121.131 -0.981 . . . . 0.0 110.182 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.447 ' HG2' ' HB3' ' B' ' 22' ' ' LEU . 45.0 Cg_endo -70.56 -13.38 32.61 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.727 1.383 . . . . 0.0 111.286 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' B' ' 24' ' ' GLN . 0.1 OUTLIER 64.4 -69.63 0.09 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.418 -0.801 . . . . 0.0 110.939 179.715 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.18 -52.7 14.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.122 -0.986 . . . . 0.0 110.29 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.682 HD23 ' C ' ' B' ' 22' ' ' LEU . 5.3 tt -67.53 -68.65 0.37 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.499 -0.751 . . . . 0.0 109.09 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -43.97 -29.76 0.62 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.712 -0.618 . . . . 0.0 111.057 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' B' ' 20' ' ' LYS . 14.2 tm0? -80.17 -31.74 38.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -0.999 . . . . 0.0 110.107 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -73.02 -49.53 28.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 110.187 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.59 ' CD1' HD21 ' B' ' 22' ' ' LEU . 73.8 mt -60.06 -45.7 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.911 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -58.89 -23.01 60.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.254 -0.904 . . . . 0.0 110.366 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.06 -34.16 38.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.189 -0.944 . . . . 0.0 110.296 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 17.2 mt -78.6 -38.87 38.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 0.0 110.139 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.78 -45.16 78.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 0.0 110.207 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.14 -28.35 72.92 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.531 ' HB3' HD13 ' B' ' 48' ' ' ILE . 4.4 tp -58.36 -41.98 85.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.308 -1.113 . . . . 0.0 110.184 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.805 ' HE1' HD23 ' A' ' 40' ' ' LEU . 7.7 mtp -56.38 -42.94 78.68 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.158 -0.963 . . . . 0.0 110.293 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.466 ' HE1' ' O ' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -51.12 -37.44 45.99 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.272 -0.893 . . . . 0.0 110.638 -179.684 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -78.06 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.164 -0.96 . . . . 0.0 110.64 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.663 ' ND1' ' HB2' ' B' ' 45' ' ' ALA . 5.0 m170 -54.75 -52.5 62.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.326 -0.859 . . . . 0.0 110.936 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.52 -30.71 2.36 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.301 -0.875 . . . . 0.0 110.341 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.422 ' O ' ' CE ' ' A' ' 34' ' ' MET . 18.6 mt-30 -79.78 -34.85 39.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.374 -0.829 . . . . 0.0 109.451 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -95.29 25.04 4.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.359 -0.838 . . . . 0.0 109.528 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.817 HD23 ' HE1' ' A' ' 33' ' ' MET . 5.0 mp 54.43 28.95 10.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.483 -0.761 . . . . 0.0 110.631 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.4 ' HB2' ' HA ' ' B' ' 36' ' ' HIS . 15.1 mt-10 -107.17 18.44 21.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.232 -0.918 . . . . 0.0 109.9 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 1.013 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 6.1 p90 -61.21 -8.22 3.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.367 -0.833 . . . . 0.0 111.982 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -49.29 -67.95 0.22 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.444 -1.41 . . . . 0.0 109.322 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -81.66 -19.33 41.91 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.445 -0.784 . . . . 0.0 109.69 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 1.013 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -77.56 -51.1 11.23 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.373 -0.83 . . . . 0.0 111.52 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.711 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -50.55 -24.22 3.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.099 -1.0 . . . . 0.0 110.434 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -52.95 -31.88 42.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.068 -1.02 . . . . 0.0 109.592 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' B' ' 32' ' ' LEU . 66.8 mt -53.85 -27.71 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.369 -0.832 . . . . 0.0 109.055 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -51.65 -34.69 39.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.503 -0.748 . . . . 0.0 109.156 178.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.67 -35.63 80.6 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.378 -0.826 . . . . 0.0 109.343 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.848 ' O ' HD12 ' B' ' 55' ' ' LEU . 27.6 mt-30 -76.2 -38.28 56.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.442 -0.786 . . . . 0.0 109.583 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.415 HD13 HG23 ' B' ' 26' ' ' ILE . 0.2 OUTLIER -67.49 -43.45 80.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 0.0 110.007 179.66 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -71.73 -40.33 69.49 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.384 -0.822 . . . . 0.0 110.102 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.51 -44.74 74.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.948 . . . . 0.0 109.975 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.848 HD12 ' O ' ' B' ' 51' ' ' GLN . 2.4 mt -59.84 -23.74 63.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.248 -0.907 . . . . 0.0 110.12 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -53.17 -47.85 68.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.284 -0.885 . . . . 0.0 110.141 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -63.12 -44.46 95.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.228 -0.92 . . . . 0.0 109.944 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -22.17 43.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.356 -0.84 . . . . 0.0 110.149 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' PHE . . . . . 0.421 ' HA ' ' CD1' ' B' ' 22' ' ' LEU . 8.5 t80 -53.24 -45.25 68.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.344 -0.848 . . . . 0.0 110.198 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 84.1 mt -76.61 -35.62 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.183 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.63 -24.35 65.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.224 -0.923 . . . . 0.0 110.131 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.47 -73.66 0.47 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.283 -0.886 . . . . 0.0 110.223 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.164 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.282 0.563 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 35.7 mt-10 -139.82 52.51 3.78 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.276 -0.89 . . . . 0.0 110.242 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 46.5 Cg_endo -72.87 -51.63 0.17 Allowed 'Trans proline' 0 C--N 1.31 -1.456 0 O-C-N 123.811 1.427 . . . . 0.0 110.364 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.08 -80.06 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.406 -0.809 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -172.31 34.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.231 -0.918 . . . . 0.0 110.191 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.536 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -81.68 -48.66 0.98 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 110.046 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.536 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 52.6 Cg_endo -84.29 -44.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.327 1.172 . . . . 0.0 109.749 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 ttm -53.93 129.42 33.93 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.504 -0.748 . . . . 0.0 110.424 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 52.35 54.92 9.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.232 -0.918 . . . . 0.0 110.336 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -55.95 -34.33 65.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.202 -0.937 . . . . 0.0 110.119 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.435 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 4.2 m -85.61 168.11 21.54 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.215 -0.928 . . . . 0.0 110.193 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HG2' HD13 ' A' ' 22' ' ' LEU . 46.8 Cg_endo -85.73 19.45 1.39 Allowed 'Trans proline' 0 C--N 1.313 -1.329 0 O-C-N 123.711 1.374 . . . . 0.0 111.667 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? 64.39 -67.69 0.11 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.284 -0.885 . . . . 0.0 111.512 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.25 -47.09 18.13 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.113 -0.992 . . . . 0.0 110.914 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.3 mp -80.5 -41.32 24.5 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.891 . . . . 0.0 109.316 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 7.0 tt0 -51.72 -45.47 63.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.715 -0.615 . . . . 0.0 110.318 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -73.94 -47.2 39.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.221 -0.925 . . . . 0.0 110.227 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -58.25 -44.28 88.24 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.246 -0.909 . . . . 0.0 110.243 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.442 HG23 ' CD1' ' A' ' 52' ' ' LEU . 76.3 mt -63.77 -54.34 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.174 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -25.35 64.07 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.294 -0.879 . . . . 0.0 110.221 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -79.98 -50.06 10.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.24 -0.913 . . . . 0.0 110.214 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.812 ' HB3' HD23 ' A' ' 52' ' ' LEU . 4.8 mp -63.36 -34.82 78.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 0.0 110.217 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.11 -40.37 85.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -0.885 . . . . 0.0 110.201 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.45 -30.32 53.95 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 tp -64.81 -28.97 69.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.223 -1.163 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.408 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.14 -60.28 3.83 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.239 -0.913 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.5 mtp -58.23 -31.34 67.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.308 -0.87 . . . . 0.0 110.423 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.93 -76.06 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.316 -0.865 . . . . 0.0 110.424 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.82 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 30.0 m-70 -56.42 -48.64 76.57 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.163 -0.961 . . . . 0.0 110.324 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.24 -39.77 31.51 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.177 -0.952 . . . . 0.0 109.9 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -64.03 -33.63 76.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 0.0 109.34 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -91.57 17.55 8.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.403 -0.811 . . . . 0.0 109.663 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mp 55.91 24.26 7.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.462 -0.774 . . . . 0.0 110.963 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -44.5 73.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.125 -0.984 . . . . 0.0 108.89 178.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.648 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 4.5 m-85 48.86 -177.58 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.721 -0.612 . . . . 0.0 111.328 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 36.3 tt0 65.87 -63.41 0.22 Allowed 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.793 0.806 . . . . 0.0 109.043 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' PHE . 14.7 pt-20 -82.58 -30.63 29.47 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 121.374 0.607 . . . . 0.0 109.727 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.82 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -81.01 -46.65 14.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 111.146 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.663 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -74.88 -19.42 60.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.166 -0.959 . . . . 0.0 111.001 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 28.3 mt-30 -72.18 -38.32 69.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.962 -1.086 . . . . 0.0 110.012 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 48' ' ' ILE . 35.6 mm -50.1 -28.49 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.155 -0.965 . . . . 0.0 109.833 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -54.43 -24.7 21.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.42 -0.8 . . . . 0.0 109.26 179.202 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.27 -33.34 49.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.836 . . . . 0.0 109.832 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.465 ' O ' HD12 ' A' ' 55' ' ' LEU . 26.8 mt-30 -78.18 -41.04 35.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.386 -0.821 . . . . 0.0 109.912 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.812 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.8 -40.9 98.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.343 -0.848 . . . . 0.0 110.105 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -72.18 -42.4 65.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.851 . . . . 0.0 110.138 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -66.19 -37.47 85.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 110.152 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.1 OUTLIER -64.83 -21.74 66.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.324 -0.86 . . . . 0.0 110.226 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -60.47 -64.12 1.06 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 110.151 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 9.9 pt-20 -54.77 -23.76 19.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.257 -0.902 . . . . 0.0 110.155 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -67.67 -20.12 65.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.356 -0.84 . . . . 0.0 110.227 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 17.3 t80 -52.62 -39.97 62.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.232 -0.918 . . . . 0.0 110.231 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mt -75.09 -44.51 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -0.89 . . . . 0.0 110.171 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.53 -24.35 65.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.3 -0.875 . . . . 0.0 110.199 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.12 -62.84 1.23 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.306 -0.871 . . . . 0.0 110.139 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.225 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.285 0.564 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' B' ' 10' ' ' PRO . 36.1 mt-10 -139.89 52.52 3.74 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.203 -0.935 . . . . 0.0 110.276 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' B' ' 9' ' ' GLU . 46.1 Cg_endo -72.87 -51.56 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.716 1.377 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.05 -80.09 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.498 -0.751 . . . . 0.0 110.328 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 10' ' ' PRO . 0.1 OUTLIER -172.28 34.96 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.18 -0.95 . . . . 0.0 110.208 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.523 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -81.68 -48.61 0.98 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.202 -0.936 . . . . 0.0 110.092 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 52.2 Cg_endo -84.31 -44.35 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.378 1.199 . . . . 0.0 109.703 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 9.2 ttm -53.89 129.42 33.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.519 -0.738 . . . . 0.0 110.412 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 52.31 54.91 9.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.205 -0.935 . . . . 0.0 110.383 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -55.86 -34.38 65.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.23 -0.919 . . . . 0.0 110.173 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.432 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 4.3 m -85.62 168.04 21.88 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.297 -0.877 . . . . 0.0 110.186 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' B' ' 21' ' ' ALA . 47.1 Cg_endo -85.77 19.55 1.38 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 O-C-N 123.652 1.343 . . . . 0.0 111.711 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? 64.4 -67.75 0.11 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.198 -0.939 . . . . 0.0 111.498 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.3 -47.02 18.39 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.113 -0.992 . . . . 0.0 110.956 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.656 ' N ' HD12 ' B' ' 22' ' ' LEU . 9.3 mp -80.48 -41.24 24.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.295 -0.878 . . . . 0.0 109.35 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.432 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 7.0 tt0 -51.73 -45.54 63.66 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.686 -0.634 . . . . 0.0 110.281 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -73.88 -47.26 39.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 110.193 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -58.19 -44.35 88.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.227 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.445 HG23 ' CD1' ' B' ' 52' ' ' LEU . 76.6 mt -63.81 -54.24 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 0.0 110.167 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.39 -25.33 64.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.248 -0.907 . . . . 0.0 110.188 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -80.01 -49.99 11.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.223 -0.923 . . . . 0.0 110.24 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.81 ' HB3' HD23 ' B' ' 52' ' ' LEU . 4.7 mp -63.41 -34.71 78.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.868 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.2 -40.4 85.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.243 -0.911 . . . . 0.0 110.193 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.42 -30.29 54.13 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 tp -64.81 -29.1 70.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -1.154 . . . . 0.0 110.255 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.414 ' HG3' ' HB ' ' B' ' 48' ' ' ILE . 0.0 OUTLIER -62.09 -60.36 3.72 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.285 -0.884 . . . . 0.0 110.281 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 6.5 mtp -58.2 -31.26 67.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.297 -0.877 . . . . 0.0 110.418 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -75.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.24 -0.913 . . . . 0.0 110.433 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.816 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 30.1 m-70 -56.33 -48.75 76.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.143 -0.973 . . . . 0.0 110.378 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.22 -39.88 31.56 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.149 -0.969 . . . . 0.0 109.913 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -63.86 -33.57 75.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 109.402 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -91.68 17.65 8.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.421 -0.799 . . . . 0.0 109.735 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mp 55.96 24.16 7.38 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.448 -0.782 . . . . 0.0 110.925 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.63 -44.48 74.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.116 -0.99 . . . . 0.0 108.88 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.663 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 4.3 m-85 48.86 -177.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.771 -0.58 . . . . 0.0 111.263 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.499 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 36.4 tt0 65.97 -63.47 0.23 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 121.766 0.793 . . . . 0.0 109.044 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 42' ' ' PHE . 14.7 pt-20 -82.64 -30.53 29.3 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-O 121.361 0.6 . . . . 0.0 109.727 178.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.816 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.99 -46.53 14.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.336 -0.852 . . . . 0.0 111.113 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.648 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -75.03 -19.54 59.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.95 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 28.3 mt-30 -72.05 -38.39 69.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.902 -1.124 . . . . 0.0 110.052 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.414 ' HB ' ' HG3' ' B' ' 33' ' ' MET . 35.3 mm -50.13 -28.44 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.135 -0.978 . . . . 0.0 109.849 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -54.49 -24.61 21.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.424 -0.798 . . . . 0.0 109.298 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.33 -33.31 49.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.78 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.478 ' O ' HD12 ' B' ' 55' ' ' LEU . 26.7 mt-30 -78.17 -41.0 36.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.344 -0.847 . . . . 0.0 109.985 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.81 HD23 ' HB3' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -62.91 -40.87 98.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.361 -0.837 . . . . 0.0 110.022 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -72.24 -42.36 65.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.306 -0.872 . . . . 0.0 110.177 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' B' ' 57' ' ' GLU . 9.2 mt-30 -66.15 -37.55 85.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.293 -0.879 . . . . 0.0 110.153 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.478 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.1 OUTLIER -64.82 -21.8 66.86 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.223 -0.923 . . . . 0.0 110.169 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -60.31 -64.2 1.03 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 0.0 110.202 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 54' ' ' GLN . 9.8 pt-20 -54.74 -23.74 19.15 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.0 110.146 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 0.2 OUTLIER -67.73 -20.1 65.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -0.887 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 59' ' ' PHE . . . . . 0.419 ' C ' ' CD1' ' B' ' 59' ' ' PHE . 17.2 t80 -52.55 -39.97 62.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.175 -0.953 . . . . 0.0 110.314 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mt -75.1 -44.49 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.256 -0.903 . . . . 0.0 110.138 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.65 -24.35 65.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.208 -0.932 . . . . 0.0 110.176 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.96 -62.83 1.23 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.249 -0.907 . . . . 0.0 110.266 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.228 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.193 0.52 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -155.3 62.59 3.39 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.841 . . . . 0.0 110.13 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.8 Cg_endo -72.87 -47.61 0.33 Allowed 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.726 1.382 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.07 -79.91 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.437 -0.789 . . . . 0.0 110.465 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 10' ' ' PRO . 7.1 t-20 -153.32 29.94 0.49 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.209 -0.932 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.1 t -78.86 -50.33 1.48 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.237 -0.914 . . . . 0.0 109.857 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 50.7 Cg_endo -80.77 -56.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.364 1.192 . . . . 0.0 109.736 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttt -176.51 156.54 1.52 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.447 -0.783 . . . . 0.0 110.109 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -176.28 80.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptm -115.87 -21.46 9.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.439 -0.788 . . . . 0.0 110.086 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . 74.4 m -160.93 167.89 12.7 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.312 -0.868 . . . . 0.0 110.102 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HG2' HD13 ' A' ' 22' ' ' LEU . 46.5 Cg_endo -85.47 18.64 1.53 Allowed 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.685 1.361 . . . . 0.0 111.633 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.39 -67.35 0.11 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.285 -0.884 . . . . 0.0 111.515 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.36 -45.73 17.88 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.114 -0.991 . . . . 0.0 110.927 -179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.656 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.7 mp -80.67 -41.62 23.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -0.926 . . . . 0.0 109.382 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.405 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 34.7 tt0 -50.99 -49.06 61.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.652 -0.655 . . . . 0.0 110.471 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 31.9 tp60 -74.28 -30.46 62.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -70.61 -45.38 65.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.22 -0.925 . . . . 0.0 110.242 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.464 HG23 HD13 ' A' ' 52' ' ' LEU . 77.9 mt -69.88 -45.22 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.327 -0.858 . . . . 0.0 110.262 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -67.03 -23.13 65.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.233 -0.917 . . . . 0.0 110.293 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 3.1 mm-40 -80.07 -38.02 32.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 110.308 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HB3' HD23 ' A' ' 52' ' ' LEU . 4.9 mp -77.07 -36.66 55.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 0.0 110.23 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HG2' ' CD2' ' B' ' 40' ' ' LEU . 1.2 tm-20 -54.14 -46.66 72.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.16 -0.963 . . . . 0.0 110.2 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.1 -29.25 72.28 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.83 -40.04 91.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -1.09 . . . . 0.0 110.176 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.51 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 21.0 mtp -51.66 -36.92 48.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.284 -0.885 . . . . 0.0 110.477 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.9 ttm -80.26 -30.89 38.48 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.153 -0.967 . . . . 0.0 110.648 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.77 -81.07 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.2 -0.938 . . . . 0.0 110.874 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -33.38 66.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.07 -1.019 . . . . 0.0 110.304 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 33' ' ' MET . . . -50.84 -39.82 54.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.116 -0.99 . . . . 0.0 110.112 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -58.89 -40.59 84.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.358 -0.839 . . . . 0.0 110.113 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -90.64 17.46 7.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.266 -0.896 . . . . 0.0 110.222 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' CD2' ' HG2' ' B' ' 30' ' ' GLU . 1.6 mp 55.0 21.59 3.85 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.28 -0.888 . . . . 0.0 110.532 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -108.76 21.36 17.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.304 -0.873 . . . . 0.0 109.706 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.859 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -78.29 23.08 0.3 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.233 -0.917 . . . . 0.0 113.415 -178.674 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' HB2' ' CD ' ' B' ' 49' ' ' ARG . 50.5 tt0 -52.93 -57.07 11.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.625 -1.297 . . . . 0.0 107.868 178.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 8.4 pt-20 -81.55 -24.7 36.4 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.859 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -69.23 -50.95 42.52 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.225 -0.922 . . . . 0.0 110.735 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.486 ' HA ' ' CZ ' ' B' ' 42' ' ' PHE . . . -55.99 -27.23 51.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.113 -0.992 . . . . 0.0 110.354 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -56.8 -30.49 63.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.06 -1.025 . . . . 0.0 109.44 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.35 -27.37 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.261 -0.9 . . . . 0.0 109.451 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.433 ' CD ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -53.49 -27.06 23.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.492 -0.755 . . . . 0.0 109.295 179.249 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -76.3 -33.98 59.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 0.0 109.819 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -78.95 -30.84 44.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.311 -0.868 . . . . 0.0 109.894 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD13 HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -63.86 -41.2 97.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.424 -0.797 . . . . 0.0 110.212 179.838 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 11.9 t-80 -80.19 -26.16 39.35 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.339 -0.85 . . . . 0.0 110.335 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -80.84 -34.78 33.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.034 -1.041 . . . . 0.0 110.479 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -26.52 67.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.258 -0.901 . . . . 0.0 111.157 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -60.98 -24.51 66.17 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.984 -1.073 . . . . 0.0 110.36 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.85 -38.63 61.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.202 -0.936 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -19.81 20.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.325 -0.859 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -48.25 -42.34 30.17 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.256 -0.903 . . . . 0.0 110.551 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.7 mt -75.11 -33.74 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.0 110.249 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.21 -19.06 58.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.226 -0.921 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.39 -55.99 2.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 110.25 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.218 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.266 0.555 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -155.24 62.63 3.43 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.216 -0.927 . . . . 0.0 110.19 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.5 Cg_endo -72.86 -47.62 0.33 Allowed 'Trans proline' 0 C--N 1.311 -1.437 0 O-C-N 123.742 1.391 . . . . 0.0 110.43 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.16 -79.88 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.423 -0.798 . . . . 0.0 110.472 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 10' ' ' PRO . 7.1 t-20 -153.37 29.95 0.48 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.228 -0.92 . . . . 0.0 110.245 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.514 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.1 t -78.89 -50.22 1.48 Allowed Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.169 -0.957 . . . . 0.0 109.898 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.514 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 50.1 Cg_endo -80.92 -56.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.434 1.229 . . . . 0.0 109.706 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttt -176.52 156.57 1.52 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.384 -0.823 . . . . 0.0 110.087 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -176.41 80.35 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.928 . . . . 0.0 110.01 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptm -115.77 -21.56 9.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.537 -0.727 . . . . 0.0 110.138 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.404 ' HB3' ' HB2' ' B' ' 23' ' ' GLN . 74.2 m -161.0 167.86 12.73 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.189 -0.944 . . . . 0.0 110.072 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.468 ' HG2' HD13 ' B' ' 22' ' ' LEU . 46.7 Cg_endo -85.35 18.52 1.56 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.677 1.356 . . . . 0.0 111.608 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.55 -67.43 0.11 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.262 -0.899 . . . . 0.0 111.479 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.28 -45.76 17.48 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.156 -0.965 . . . . 0.0 110.992 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.655 ' N ' HD12 ' B' ' 22' ' ' LEU . 9.6 mp -80.7 -41.5 23.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 0.0 109.396 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.404 ' HB2' ' HB3' ' B' ' 18' ' ' SER . 34.7 tt0 -51.08 -49.03 61.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.732 -0.605 . . . . 0.0 110.423 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.42 ' O ' ' CG ' ' B' ' 28' ' ' GLU . 31.9 tp60 -74.36 -30.44 62.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.277 -0.89 . . . . 0.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -70.63 -45.34 65.37 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.174 -0.953 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.456 HG23 HD13 ' B' ' 52' ' ' LEU . 77.5 mt -69.76 -45.28 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 0.0 110.327 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -66.96 -23.15 65.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.169 -0.957 . . . . 0.0 110.335 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' B' ' 24' ' ' GLN . 3.2 mm-40 -80.09 -37.91 32.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.202 -0.936 . . . . 0.0 110.308 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.403 ' HB3' HD23 ' B' ' 52' ' ' LEU . 4.8 mp -77.1 -36.81 55.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.11 -0.994 . . . . 0.0 110.13 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.42 ' HG2' ' CD2' ' A' ' 40' ' ' LEU . 1.2 tm-20 -54.02 -46.78 71.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.258 -0.901 . . . . 0.0 110.174 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.95 -29.33 72.48 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.403 ' HB3' HD13 ' B' ' 48' ' ' ILE . 0.9 OUTLIER -60.86 -39.96 91.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.37 -1.076 . . . . 0.0 110.138 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.513 ' O ' ' HB2' ' B' ' 37' ' ' ALA . 20.9 mtp -51.67 -36.97 48.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.33 -0.856 . . . . 0.0 110.418 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.9 ttm -80.24 -30.8 38.56 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.194 -0.941 . . . . 0.0 110.707 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -81.16 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.289 -0.882 . . . . 0.0 110.807 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -33.53 65.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.996 -1.065 . . . . 0.0 110.321 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' B' ' 33' ' ' MET . . . -50.72 -39.88 52.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.205 -0.935 . . . . 0.0 110.097 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -58.95 -40.48 84.85 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.39 -0.818 . . . . 0.0 110.065 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -90.75 17.44 7.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.291 -0.881 . . . . 0.0 110.196 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.433 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 1.6 mp 55.12 21.61 4.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.172 -0.955 . . . . 0.0 110.459 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -108.74 21.36 17.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.252 -0.905 . . . . 0.0 109.652 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.826 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 0.0 OUTLIER -78.35 23.21 0.3 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.254 -0.903 . . . . 0.0 113.369 -178.67 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.433 ' HB2' ' CD ' ' A' ' 49' ' ' ARG . 51.1 tt0 -52.89 -57.14 11.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.58 -1.325 . . . . 0.0 107.87 177.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 8.4 pt-20 -81.57 -24.68 36.36 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.826 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -69.27 -50.85 43.15 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.178 -0.951 . . . . 0.0 110.801 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . . . -56.08 -27.15 52.43 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.134 -0.979 . . . . 0.0 110.349 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -56.84 -30.45 63.79 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.026 -1.046 . . . . 0.0 109.437 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.403 HD13 ' HB3' ' B' ' 32' ' ' LEU . 96.6 mt -53.43 -27.22 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.324 -0.86 . . . . 0.0 109.491 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.424 ' CD ' ' HB2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -53.63 -26.91 24.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.515 -0.741 . . . . 0.0 109.334 179.261 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -76.38 -33.98 58.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.357 -0.839 . . . . 0.0 109.845 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -78.91 -30.9 45.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.291 -0.881 . . . . 0.0 109.912 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.456 HD13 HG23 ' B' ' 26' ' ' ILE . 0.2 OUTLIER -63.84 -41.27 97.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.339 -0.851 . . . . 0.0 110.117 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 12.0 t-80 -80.09 -26.24 39.66 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 110.424 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -80.69 -34.88 34.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 110.51 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -26.46 67.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.23 -0.919 . . . . 0.0 111.102 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 53' ' ' HIS . 0.1 OUTLIER -61.05 -24.5 66.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.067 -1.021 . . . . 0.0 110.367 -179.634 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.76 -38.65 62.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 110.086 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -19.79 20.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.262 -0.899 . . . . 0.0 110.379 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -48.27 -42.32 30.34 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.225 -0.922 . . . . 0.0 110.624 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 53.2 mt -75.19 -33.73 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.168 -0.957 . . . . 0.0 110.165 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.2 -19.01 58.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.244 -0.91 . . . . 0.0 110.317 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.38 -55.95 2.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.221 -0.925 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.172 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 8' ' ' LEU . 5.0 mp . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.238 0.542 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 15' ' ' MET . 2.7 tt0 -122.77 60.81 15.25 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.242 -0.911 . . . . 0.0 110.15 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.5 Cg_endo -72.82 -42.11 1.23 Allowed 'Trans proline' 0 C--N 1.311 -1.424 0 O-C-N 123.715 1.376 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.13 -77.52 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.401 -0.812 . . . . 0.0 109.689 -179.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.774 ' O ' HG23 ' A' ' 13' ' ' VAL . 63.0 m-20 -124.19 -30.04 3.5 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.144 -0.973 . . . . 0.0 109.527 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -178.63 -51.23 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.52 -0.738 . . . . 0.0 109.696 -179.793 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 13' ' ' VAL . 48.7 Cg_endo -90.49 -81.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.378 1.199 . . . . 0.0 110.613 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -157.48 -144.98 0.14 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.156 -0.965 . . . . 0.0 109.984 -179.797 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -152.92 71.7 0.93 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.002 -1.062 . . . . 0.0 109.921 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.6 ptm -117.96 -19.85 8.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.587 -0.696 . . . . 0.0 110.395 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -106.62 164.22 15.35 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.117 -0.989 . . . . 0.0 110.394 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.467 ' HG2' ' HB3' ' A' ' 22' ' ' LEU . 50.5 Cg_endo -73.69 -1.2 10.41 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.798 1.42 . . . . 0.0 111.686 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.65 -66.68 0.15 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.184 -0.947 . . . . 0.0 111.114 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -51.13 -62.86 1.36 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.988 -1.07 . . . . 0.0 110.364 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.907 HD11 HD11 ' A' ' 26' ' ' ILE . 2.7 tp -62.3 -56.97 13.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.365 -0.834 . . . . 0.0 109.51 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.556 ' HA ' HD12 ' A' ' 26' ' ' ILE . 4.9 tt0 -48.23 -42.53 30.53 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.312 -0.867 . . . . 0.0 110.451 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.06 -36.58 84.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.244 -0.91 . . . . 0.0 109.854 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -48.67 59.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.316 -0.865 . . . . 0.0 109.992 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.907 HD11 HD11 ' A' ' 22' ' ' LEU . 41.8 mt -52.86 -56.53 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.908 . . . . 0.0 110.079 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -55.16 -22.42 17.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 110.118 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -37.42 34.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.101 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.431 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . 26.7 mt -77.16 -41.53 41.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 110.043 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.518 ' OE2' HD21 ' B' ' 40' ' ' LEU . 1.2 tm-20 -62.77 -44.88 95.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.284 -0.885 . . . . 0.0 109.913 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.82 -34.7 90.65 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tp -65.64 -34.1 77.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.224 -1.162 . . . . 0.0 109.934 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.673 ' HE1' HD23 ' B' ' 40' ' ' LEU . 1.6 mtp -59.67 -61.16 2.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.306 -0.871 . . . . 0.0 110.165 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 mtt -47.49 -42.03 22.08 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.389 -0.819 . . . . 0.0 110.779 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.76 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.167 -0.958 . . . . 0.0 110.224 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.475 ' CB ' ' CB ' ' A' ' 45' ' ' ALA . 72.1 m80 -51.36 -51.96 49.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.341 -0.849 . . . . 0.0 110.609 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.005 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -48.35 -32.5 7.57 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.278 -0.889 . . . . 0.0 110.122 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -75.16 -36.24 61.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.666 ' C ' HD12 ' A' ' 40' ' ' LEU . 4.3 m120 -94.78 23.96 5.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.457 -0.777 . . . . 0.0 109.727 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.666 HD12 ' C ' ' A' ' 39' ' ' ASN . 5.0 mp 55.73 30.56 15.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.425 -0.797 . . . . 0.0 110.654 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -109.25 17.65 21.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.177 -0.952 . . . . 0.0 110.04 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.008 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.0 p90 -61.82 -7.58 3.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.396 -0.815 . . . . 0.0 112.044 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -50.33 -67.77 0.23 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.501 -1.374 . . . . 0.0 109.204 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 2.2 pt-20 -81.54 -19.57 41.81 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.578 -0.701 . . . . 0.0 109.725 178.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 1.008 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -76.84 -50.22 13.92 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.404 -0.81 . . . . 0.0 111.224 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.647 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -50.24 -25.79 4.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.103 -0.998 . . . . 0.0 110.401 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -50.96 -25.66 4.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.005 -1.06 . . . . 0.0 109.756 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.709 HG22 HD23 ' A' ' 52' ' ' LEU . 43.0 mt -65.0 -29.08 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.441 -0.787 . . . . 0.0 109.749 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -48.66 -28.01 3.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.307 -0.871 . . . . 0.0 110.267 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.14 -45.17 23.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.397 -0.814 . . . . 0.0 109.712 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.872 ' O ' HD12 ' A' ' 55' ' ' LEU . 15.9 mt-30 -68.22 -37.11 80.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.3 -0.875 . . . . 0.0 109.851 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.709 HD23 HG22 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -62.4 -41.95 99.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.342 -0.849 . . . . 0.0 110.114 179.798 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.402 ' O ' ' HB3' ' A' ' 56' ' ' ARG . 66.7 m170 -69.91 -48.27 59.25 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.316 -0.865 . . . . 0.0 110.193 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.66 -44.73 96.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.201 -0.937 . . . . 0.0 110.217 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.872 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -62.84 -28.48 70.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -0.888 . . . . 0.0 110.195 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 53' ' ' HIS . 18.8 ttt-85 -56.58 -60.45 3.52 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.283 -0.886 . . . . 0.0 110.16 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.7 pt-20 -59.57 -22.87 62.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.897 . . . . 0.0 110.106 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 2.8 mt -72.4 -19.95 61.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 0.0 110.307 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.33 -45.62 65.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.0 mt -73.39 -36.23 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.2 -0.938 . . . . 0.0 110.177 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.41 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -72.97 -20.29 61.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.5 -62.29 1.52 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 110.197 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.222 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.415 ' N ' HD12 ' B' ' 8' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.243 0.544 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' B' ' 15' ' ' MET . 2.7 tt0 -122.87 60.87 15.72 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 0.0 110.146 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' B' ' 12' ' ' ASN . 45.1 Cg_endo -72.86 -42.22 1.17 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 O-C-N 123.721 1.38 . . . . 0.0 110.801 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.19 -77.62 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.295 -0.878 . . . . 0.0 109.706 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.769 ' O ' HG23 ' B' ' 13' ' ' VAL . 63.1 m-20 -124.11 -29.96 3.53 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.073 -1.017 . . . . 0.0 109.602 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.769 HG23 ' O ' ' B' ' 12' ' ' ASN . 0.9 OUTLIER -178.63 -51.27 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.57 -0.706 . . . . 0.0 109.744 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' B' ' 13' ' ' VAL . 48.8 Cg_endo -90.41 -81.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.316 -1.168 0 O-C-N 123.42 1.221 . . . . 0.0 110.725 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' B' ' 9' ' ' GLU . 0.0 OUTLIER -157.41 -144.87 0.13 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.183 -0.948 . . . . 0.0 110.03 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -152.96 71.7 0.93 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.025 -1.047 . . . . 0.0 109.899 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 9.6 ptm -117.95 -19.85 9.0 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.655 -0.653 . . . . 0.0 110.393 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -106.65 164.21 15.37 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.138 -0.976 . . . . 0.0 110.366 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.444 ' HG2' ' HB3' ' B' ' 22' ' ' LEU . 50.1 Cg_endo -73.8 -1.06 10.26 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.786 1.414 . . . . 0.0 111.649 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' B' ' 24' ' ' GLN . 0.0 OUTLIER 65.67 -66.8 0.15 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.17 -0.956 . . . . 0.0 111.019 179.716 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -51.1 -62.8 1.39 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.067 -1.021 . . . . 0.0 110.334 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.916 HD11 HD11 ' B' ' 26' ' ' ILE . 2.6 tp -62.35 -57.01 12.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.862 . . . . 0.0 109.516 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.551 ' HA ' HD12 ' B' ' 26' ' ' ILE . 4.9 tt0 -48.16 -42.51 29.77 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.346 -0.846 . . . . 0.0 110.537 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 20' ' ' LYS . 1.4 tm0? -64.03 -36.75 85.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.207 -0.933 . . . . 0.0 109.8 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -48.72 59.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.34 -0.85 . . . . 0.0 109.938 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.916 HD11 HD11 ' B' ' 22' ' ' LEU . 41.6 mt -52.8 -56.48 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 110.089 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -55.26 -22.32 17.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 110.118 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.88 -37.37 34.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.215 -0.928 . . . . 0.0 110.162 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.424 ' HB3' ' CD2' ' B' ' 52' ' ' LEU . 26.8 mt -77.24 -41.58 40.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.027 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.447 ' OE2' HD21 ' A' ' 40' ' ' LEU . 1.2 tm-20 -62.7 -44.81 95.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -0.885 . . . . 0.0 109.968 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.96 -34.67 90.55 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tp -65.62 -34.04 77.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.313 -1.11 . . . . 0.0 109.949 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.565 ' HE1' HD23 ' A' ' 40' ' ' LEU . 1.6 mtp -59.74 -61.17 2.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.348 -0.845 . . . . 0.0 110.123 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mtt -47.44 -42.02 21.59 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.372 -0.83 . . . . 0.0 110.878 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.72 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.281 -0.887 . . . . 0.0 110.178 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.471 ' CB ' ' CB ' ' B' ' 45' ' ' ALA . 71.8 m80 -51.3 -52.07 48.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.386 -0.821 . . . . 0.0 110.565 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 1.005 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -48.28 -32.49 7.37 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.226 -0.921 . . . . 0.0 110.097 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -75.25 -36.19 61.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -0.856 . . . . 0.0 109.492 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASN . . . . . 0.671 ' C ' HD12 ' B' ' 40' ' ' LEU . 4.2 m120 -94.73 23.84 5.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.501 -0.749 . . . . 0.0 109.73 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.673 HD23 ' HE1' ' A' ' 33' ' ' MET . 5.0 mp 55.74 30.66 16.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.521 -0.737 . . . . 0.0 110.673 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -109.35 17.53 21.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.159 -0.963 . . . . 0.0 110.009 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 1.005 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 5.0 p90 -61.66 -7.81 3.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.443 -0.786 . . . . 0.0 112.026 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -50.21 -67.73 0.23 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.448 -1.407 . . . . 0.0 109.188 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 2.2 pt-20 -81.64 -19.46 41.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.444 -0.785 . . . . 0.0 109.684 178.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 1.005 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -76.91 -50.46 13.24 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.33 -0.856 . . . . 0.0 111.269 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.668 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -49.91 -26.05 3.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.114 -0.991 . . . . 0.0 110.359 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -50.75 -25.7 4.7 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.079 -1.013 . . . . 0.0 109.782 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.707 HG22 HD23 ' B' ' 52' ' ' LEU . 43.0 mt -65.13 -28.97 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.471 -0.768 . . . . 0.0 109.667 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.8 OUTLIER -48.6 -28.13 3.25 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.286 -0.884 . . . . 0.0 110.257 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.21 -45.2 23.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.373 -0.83 . . . . 0.0 109.625 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.871 ' O ' HD12 ' B' ' 55' ' ' LEU . 16.0 mt-30 -68.18 -37.04 80.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 109.852 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.707 HD23 HG22 ' B' ' 48' ' ' ILE . 0.5 OUTLIER -62.47 -41.92 99.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.302 -0.874 . . . . 0.0 110.108 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -69.87 -48.29 59.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 0.0 110.196 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.7 -44.77 96.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.198 -0.939 . . . . 0.0 110.128 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.871 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.5 OUTLIER -62.78 -28.55 70.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.255 -0.903 . . . . 0.0 110.176 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -56.56 -60.42 3.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -0.911 . . . . 0.0 110.113 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.7 pt-20 -59.55 -22.98 62.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.237 -0.914 . . . . 0.0 110.068 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 2.9 mt -72.31 -19.96 61.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.26 -0.9 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.34 -45.63 65.74 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 54.8 mt -73.44 -36.27 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 110.154 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.8 -20.37 61.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.226 -0.921 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.48 -62.24 1.53 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.159 -0.963 . . . . 0.0 110.226 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.209 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.265 0.555 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -126.46 62.05 46.13 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 0.0 110.19 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.3 Cg_endo -72.98 -52.0 0.16 Allowed 'Trans proline' 0 C--N 1.31 -1.462 0 O-C-N 123.663 1.349 . . . . 0.0 110.442 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.47 -79.72 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.37 -0.831 . . . . 0.0 110.366 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' PRO . 2.2 p-10 -138.82 29.92 2.3 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.183 -0.948 . . . . 0.0 110.115 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.536 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.4 t -88.56 -46.6 0.45 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 110.457 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.536 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 48.9 Cg_endo -86.06 -46.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.353 0 O-C-N 123.305 1.16 . . . . 0.0 109.86 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.39 -165.57 1.46 Allowed 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.38 -0.825 . . . . 0.0 110.267 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.17 67.68 0.95 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.259 -0.901 . . . . 0.0 109.964 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.2 ptm -176.15 -36.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.493 -0.754 . . . . 0.0 110.22 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 3.8 m 55.27 173.06 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.205 -0.934 . . . . 0.0 110.214 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' A' ' 22' ' ' LEU . 45.5 Cg_endo -85.37 16.79 1.89 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 O-C-N 123.695 1.366 . . . . 0.0 111.649 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.14 -67.45 0.11 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.321 -0.862 . . . . 0.0 111.608 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.02 -46.34 16.5 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.175 -0.953 . . . . 0.0 110.972 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.669 HD12 ' N ' ' A' ' 22' ' ' LEU . 8.7 mp -80.62 -44.87 18.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.881 . . . . 0.0 109.486 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.437 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 18.2 tt0 -52.08 -38.08 56.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.684 -0.635 . . . . 0.0 110.367 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -77.67 -41.65 37.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.203 -0.935 . . . . 0.0 110.39 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -72.5 -40.23 67.04 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.249 -0.907 . . . . 0.0 110.282 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.467 HD11 ' HB3' ' A' ' 22' ' ' LEU . 85.7 mt -66.56 -42.91 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.887 . . . . 0.0 110.31 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -76.88 -20.04 56.73 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 110.39 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 16.2 mm-40 -79.07 -53.49 6.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.185 -0.947 . . . . 0.0 110.328 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.543 HD22 HD12 ' A' ' 48' ' ' ILE . 25.2 mt -64.02 -27.64 69.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.222 -0.924 . . . . 0.0 110.282 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.44 -35.36 80.66 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.241 -0.912 . . . . 0.0 110.287 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.79 -23.3 69.98 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.64 -28.75 67.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.138 -1.213 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.539 ' CE ' HD23 ' B' ' 40' ' ' LEU . 5.0 mtp -61.44 -64.59 0.9 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.197 -0.94 . . . . 0.0 110.275 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.7 tpp -60.53 -31.4 70.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.271 -0.893 . . . . 0.0 110.297 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -54.74 -76.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.229 -0.92 . . . . 0.0 110.274 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.821 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 19.9 m170 -59.53 -44.19 93.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 110.249 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.17 -39.11 27.92 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.103 -0.998 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' GLN . 0.1 OUTLIER -59.75 -35.51 74.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.336 -0.853 . . . . 0.0 109.402 179.492 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.39 17.9 7.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.387 -0.82 . . . . 0.0 109.703 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.711 HD23 ' CE ' ' B' ' 33' ' ' MET . 7.2 mp 55.03 23.93 5.58 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.402 -0.811 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 36' ' ' HIS . 7.1 mm-40 -66.83 -44.22 81.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.984 . . . . 0.0 108.986 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.593 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 6.3 m-85 48.2 -175.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.634 -0.667 . . . . 0.0 111.198 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.504 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 31.4 tt0 65.94 -63.27 0.23 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.717 0.77 . . . . 0.0 109.027 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.47 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 15.8 pt-20 -82.67 -33.28 27.77 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.301 0.572 . . . . 0.0 109.921 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.821 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -81.12 -43.25 19.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.31 -0.868 . . . . 0.0 111.476 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.616 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -78.0 -26.17 48.41 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.09 -1.006 . . . . 0.0 111.367 -178.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 7.4 mm100 -65.1 -32.81 74.7 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.907 -1.121 . . . . 0.0 109.855 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.543 HD12 HD22 ' A' ' 29' ' ' LEU . 38.6 mm -51.97 -28.38 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.218 -0.926 . . . . 0.0 109.772 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -54.7 -27.58 41.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.375 -0.828 . . . . 0.0 109.365 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -77.87 -34.09 51.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 0.0 109.931 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.482 ' O ' HD12 ' A' ' 55' ' ' LEU . 27.0 mt-30 -80.06 -40.03 28.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 110.068 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -63.78 -44.05 94.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.249 -0.907 . . . . 0.0 110.145 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -66.69 -40.03 88.33 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 110.145 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.66 -42.08 82.75 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.12 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -68.31 -22.08 64.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.212 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -56.43 -51.21 69.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.29 -0.881 . . . . 0.0 110.214 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' O ' HD12 ' A' ' 60' ' ' ILE . 2.0 tp10 -61.18 -35.3 76.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.24 -0.913 . . . . 0.0 110.244 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -56.39 -24.06 42.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.206 -0.934 . . . . 0.0 110.219 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.403 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 21.6 t80 -54.05 -31.68 52.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 0.0 110.151 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 57' ' ' GLU . 4.2 mt -79.95 -28.97 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.514 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -68.65 -21.64 64.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.202 -0.936 . . . . 0.0 110.22 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.67 -64.13 1.12 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 110.246 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.286 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.298 0.57 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -126.59 62.11 47.41 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.294 -0.879 . . . . 0.0 110.141 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.5 Cg_endo -73.06 -51.88 0.16 Allowed 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.655 1.345 . . . . 0.0 110.501 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.36 -79.69 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.475 -0.766 . . . . 0.0 110.459 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 10' ' ' PRO . 2.2 p-10 -138.82 29.95 2.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.195 -0.941 . . . . 0.0 110.162 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.531 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.4 t -88.57 -46.62 0.44 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 110.472 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.531 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 50.5 Cg_endo -85.93 -46.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.213 1.112 . . . . 0.0 109.89 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.27 -165.58 1.46 Allowed 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.302 -0.874 . . . . 0.0 110.278 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.26 67.58 0.96 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.301 -0.874 . . . . 0.0 110.035 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 19.2 ptm -176.14 -37.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.375 -0.828 . . . . 0.0 110.17 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.439 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 3.8 m 55.27 173.14 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.271 -0.893 . . . . 0.0 110.208 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.457 ' HG2' ' HB2' ' B' ' 22' ' ' LEU . 45.5 Cg_endo -85.45 16.79 1.89 Allowed 'Trans proline' 0 C--N 1.312 -1.349 0 O-C-N 123.686 1.361 . . . . 0.0 111.677 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 -67.56 0.1 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.251 -0.906 . . . . 0.0 111.632 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.97 -46.45 16.32 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.168 -0.957 . . . . 0.0 110.914 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.669 ' N ' HD12 ' B' ' 22' ' ' LEU . 8.7 mp -80.44 -44.99 18.36 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.23 -0.919 . . . . 0.0 109.526 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.439 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 18.0 tt0 -52.05 -38.05 55.73 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.648 -0.658 . . . . 0.0 110.381 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' B' ' 28' ' ' GLU . 0.0 OUTLIER -77.75 -41.68 36.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.183 -0.948 . . . . 0.0 110.297 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -72.47 -40.26 67.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.164 -0.96 . . . . 0.0 110.305 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.465 HD11 ' HB3' ' B' ' 22' ' ' LEU . 86.0 mt -66.53 -42.96 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.208 -0.933 . . . . 0.0 110.314 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -76.79 -20.05 56.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 110.427 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' B' ' 24' ' ' GLN . 16.0 mm-40 -79.23 -53.38 7.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.912 . . . . 0.0 110.31 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.543 HD22 HD12 ' B' ' 48' ' ' ILE . 25.1 mt -64.03 -27.61 69.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.353 -0.842 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.36 -35.35 80.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.154 -0.966 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.9 -23.17 70.01 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.75 -28.81 67.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.198 -1.178 . . . . 0.0 110.3 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.711 ' CE ' HD23 ' A' ' 40' ' ' LEU . 5.0 mtp -61.3 -64.72 0.86 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.258 -0.901 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 41.6 tpp -60.41 -31.39 70.34 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 110.313 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -76.9 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.181 -0.949 . . . . 0.0 110.304 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.821 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 20.1 m170 -59.59 -44.11 93.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.148 -0.97 . . . . 0.0 110.31 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.23 -39.12 28.79 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.177 -0.952 . . . . 0.0 110.014 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -35.44 74.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.952 . . . . 0.0 109.395 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.41 17.99 7.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.482 -0.761 . . . . 0.0 109.713 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.674 ' N ' HD12 ' B' ' 40' ' ' LEU . 7.2 mp 54.94 23.92 5.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.388 -0.82 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -66.75 -44.18 82.17 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.235 -0.916 . . . . 0.0 109.084 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.616 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 6.4 m-85 48.21 -175.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.745 -0.597 . . . . 0.0 111.241 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 31.5 tt0 65.88 -63.23 0.23 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.769 0.795 . . . . 0.0 109.083 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' B' ' 42' ' ' PHE . 15.8 pt-20 -82.86 -33.16 27.13 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 121.755 -0.591 . . . . 0.0 109.916 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.821 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -81.11 -43.12 19.9 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.282 -0.887 . . . . 0.0 111.458 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.593 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -78.06 -26.4 48.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.121 -0.987 . . . . 0.0 111.364 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 7.4 mm100 -64.99 -32.73 74.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.871 -1.143 . . . . 0.0 109.894 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.543 HD12 HD22 ' B' ' 29' ' ' LEU . 38.5 mm -52.11 -28.35 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.224 -0.923 . . . . 0.0 109.712 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -54.63 -27.66 41.23 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.495 -0.753 . . . . 0.0 109.358 179.262 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -77.83 -34.06 52.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.287 -0.883 . . . . 0.0 109.944 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.5 ' O ' HD12 ' B' ' 55' ' ' LEU . 27.0 mt-30 -80.05 -40.05 28.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 110.051 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' B' ' 52' ' ' LEU . 0.1 OUTLIER -63.84 -44.1 94.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.236 -0.915 . . . . 0.0 110.092 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -66.72 -39.95 88.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.278 -0.889 . . . . 0.0 110.112 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.76 -41.96 82.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 110.15 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.5 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.5 OUTLIER -68.41 -22.07 64.64 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.933 . . . . 0.0 110.109 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -56.47 -51.13 69.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.301 -0.874 . . . . 0.0 110.212 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.47 ' O ' HD12 ' B' ' 60' ' ' ILE . 2.0 tp10 -61.23 -35.32 76.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.925 . . . . 0.0 110.198 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' B' ' 61' ' ' ALA . 0.5 OUTLIER -56.39 -24.04 42.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.15 -0.968 . . . . 0.0 110.205 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -54.04 -31.69 52.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.252 -0.905 . . . . 0.0 110.172 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.47 HD12 ' O ' ' B' ' 57' ' ' GLU . 4.2 mt -80.06 -28.93 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.3 -0.875 . . . . 0.0 110.168 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.507 ' HB3' HD23 ' B' ' 58' ' ' LEU . . . -68.62 -21.6 64.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 0.0 110.282 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.404 ' HB3' ' HG3' ' B' ' 19' ' ' PRO . . . -103.67 -64.2 1.12 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.209 -0.932 . . . . 0.0 110.194 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.16 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.242 0.544 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -157.36 74.1 4.31 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.265 -0.897 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.8 Cg_endo -72.81 -49.99 0.23 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.692 1.364 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.7 -80.34 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.511 -0.743 . . . . 0.0 110.479 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' PRO . 5.7 p-10 -137.34 20.96 2.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -0.915 . . . . 0.0 110.264 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.515 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -78.93 -48.58 1.62 Allowed Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.17 -0.956 . . . . 0.0 109.966 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.515 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 52.4 Cg_endo -84.47 -44.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.458 0 O-C-N 123.311 1.164 . . . . 0.0 109.662 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttp -64.16 127.63 32.28 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.546 -0.721 . . . . 0.0 110.525 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 52.45 42.27 31.14 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.267 -0.895 . . . . 0.0 110.458 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.1 ptm -56.83 -23.07 41.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.141 -0.974 . . . . 0.0 110.049 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 70.1 m -152.27 170.23 8.33 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.336 -0.853 . . . . 0.0 110.017 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' ALA . 50.3 Cg_endo -86.34 21.93 1.01 Allowed 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.661 1.348 . . . . 0.0 111.543 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.11 -66.33 0.17 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.082 -1.011 . . . . 0.0 110.85 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.73 -51.38 22.27 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.2 -0.937 . . . . 0.0 110.373 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.901 HD11 HD11 ' A' ' 26' ' ' ILE . 3.6 tp -68.8 -58.03 4.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.377 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.437 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 4.8 tt0 -46.39 -53.32 11.21 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.485 -0.76 . . . . 0.0 110.602 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -34.29 70.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.295 -0.878 . . . . 0.0 110.222 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -69.72 -52.1 28.51 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.239 -0.913 . . . . 0.0 110.136 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.901 HD11 HD11 ' A' ' 22' ' ' LEU . 43.5 mt -53.46 -55.91 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.265 -0.897 . . . . 0.0 110.238 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.87 -24.13 61.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.09 -50.01 15.88 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.296 -0.878 . . . . 0.0 110.251 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HB2' HD21 ' A' ' 52' ' ' LEU . 56.4 mt -69.68 -38.96 77.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.236 -0.915 . . . . 0.0 110.209 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.49 -50.36 73.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.246 -0.909 . . . . 0.0 110.234 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.8 -34.35 88.39 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.45 -26.57 60.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.282 -1.128 . . . . 0.0 110.21 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.738 ' CE ' HD21 ' B' ' 40' ' ' LEU . 6.6 tmm? -79.83 -27.2 40.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.26 -0.9 . . . . 0.0 110.308 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 mmt -78.3 -48.8 14.9 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.085 -1.009 . . . . 0.0 110.462 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.629 ' HG3' ' CD2' ' A' ' 36' ' ' HIS . 17.3 pt20 -51.66 -33.2 32.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.196 -0.94 . . . . 0.0 110.468 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.799 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 67.3 m170 -76.65 -63.66 1.29 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.263 -0.898 . . . . 0.0 110.14 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -47.82 -36.41 11.8 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.265 -0.897 . . . . 0.0 109.982 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -70.71 -34.14 71.61 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.415 -0.803 . . . . 0.0 109.461 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -92.77 20.33 6.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.452 -0.78 . . . . 0.0 109.67 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.622 HD21 ' CE ' ' B' ' 33' ' ' MET . 0.2 OUTLIER 58.32 24.38 11.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.414 -0.804 . . . . 0.0 110.895 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 2.1 mm-40 -70.0 -49.25 53.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.168 -0.958 . . . . 0.0 108.999 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.711 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 4.3 m-85 48.97 -177.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.562 -0.712 . . . . 0.0 111.109 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 28.0 tt0 66.04 -62.66 0.25 Allowed 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.724 0.773 . . . . 0.0 109.156 -178.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' OE2' ' CG ' ' A' ' 36' ' ' HIS . 24.9 pt-20 -82.43 -29.54 30.66 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.729 -0.607 . . . . 0.0 109.744 178.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 36' ' ' HIS . . . -80.51 -47.52 14.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -0.851 . . . . 0.0 111.15 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.719 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -68.93 -19.85 64.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.156 -0.965 . . . . 0.0 110.784 -178.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -79.1 -50.94 10.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.981 -1.074 . . . . 0.0 109.68 179.43 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.6 mt -51.19 -30.97 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.167 -0.958 . . . . 0.0 109.31 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HG3' HD23 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -55.81 -23.87 32.73 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.41 ' HB2' ' NH2' ' A' ' 49' ' ' ARG . 9.2 t0 -79.51 -35.39 40.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.312 -0.868 . . . . 0.0 109.815 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.587 ' O ' HD12 ' A' ' 55' ' ' LEU . 17.9 mt-30 -69.25 -41.02 77.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.324 -0.86 . . . . 0.0 109.959 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.821 ' CD1' HG23 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -54.8 -37.69 66.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.271 -0.893 . . . . 0.0 109.995 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.08 -55.06 20.97 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.241 -0.912 . . . . 0.0 110.026 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 2.7 mt-30 -57.71 -40.97 80.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 0.0 110.029 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -55.14 -28.84 55.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 0.0 110.081 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -58.36 -63.2 1.36 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.874 . . . . 0.0 110.027 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.5 pt-20 -57.33 -23.64 50.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.912 . . . . 0.0 110.084 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -63.45 -19.76 65.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 110.329 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.419 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 17.7 t80 -48.62 -36.41 15.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.239 -0.913 . . . . 0.0 110.553 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 58.4 mt -72.89 -36.86 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.97 . . . . 0.0 110.104 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.91 -20.37 61.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -0.906 . . . . 0.0 110.14 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.88 -61.18 1.54 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.218 -0.926 . . . . 0.0 110.226 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.198 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.228 0.537 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -157.26 74.09 4.36 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.216 -0.927 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' B' ' 12' ' ' ASN . 47.1 Cg_endo -72.69 -50.15 0.23 Allowed 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.685 1.361 . . . . 0.0 110.37 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.76 -80.36 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.438 -0.789 . . . . 0.0 110.464 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' B' ' 10' ' ' PRO . 5.7 p-10 -137.31 20.88 2.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 0.0 110.329 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.542 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -78.88 -48.54 1.65 Allowed Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.256 -0.902 . . . . 0.0 110.045 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.542 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 52.3 Cg_endo -84.51 -44.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.308 1.162 . . . . 0.0 109.643 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttp -64.21 127.6 32.15 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.551 -0.718 . . . . 0.0 110.473 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 52.51 42.34 31.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.251 -0.906 . . . . 0.0 110.433 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 14.1 ptm -57.02 -22.96 42.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.269 -0.894 . . . . 0.0 110.022 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 70.2 m -152.2 170.26 8.28 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.313 -0.867 . . . . 0.0 109.968 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.418 ' HG2' ' HB3' ' B' ' 22' ' ' LEU . 50.2 Cg_endo -86.44 22.02 1.0 Allowed 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.682 1.359 . . . . 0.0 111.518 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.14 -66.33 0.17 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.156 -0.965 . . . . 0.0 110.847 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.67 -51.49 21.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.245 -0.909 . . . . 0.0 110.359 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.894 HD11 HD11 ' B' ' 26' ' ' ILE . 3.6 tp -68.78 -57.99 4.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.413 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 4.8 tt0 -46.42 -53.23 11.47 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.581 -0.7 . . . . 0.0 110.7 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -34.26 70.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.359 -0.838 . . . . 0.0 110.207 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -69.82 -51.99 28.91 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.269 -0.894 . . . . 0.0 110.148 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.894 HD11 HD11 ' B' ' 22' ' ' LEU . 43.4 mt -53.53 -55.9 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.213 -0.93 . . . . 0.0 110.239 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.83 -24.15 61.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.218 -0.926 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.17 -49.92 15.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.229 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.423 ' HB2' HD21 ' B' ' 52' ' ' LEU . 56.3 mt -69.73 -38.9 77.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.301 -0.874 . . . . 0.0 110.222 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.47 -50.44 73.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.225 -0.922 . . . . 0.0 110.216 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.22 88.02 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.56 -26.5 60.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.278 -1.13 . . . . 0.0 110.184 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.622 ' CE ' HD21 ' A' ' 40' ' ' LEU . 6.8 tmm? -79.69 -27.28 40.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 1.5 mmt -78.2 -48.96 14.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.183 -0.948 . . . . 0.0 110.418 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.629 ' HG3' ' CD2' ' B' ' 36' ' ' HIS . 17.2 pt20 -51.58 -33.26 31.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.17 -0.956 . . . . 0.0 110.445 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.792 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 67.2 m170 -76.57 -63.71 1.28 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.215 -0.928 . . . . 0.0 110.151 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -47.78 -36.5 11.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.278 -0.889 . . . . 0.0 109.992 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -70.67 -34.12 71.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.442 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -92.86 20.42 6.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.459 -0.776 . . . . 0.0 109.641 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.738 HD21 ' CE ' ' A' ' 33' ' ' MET . 0.2 OUTLIER 58.28 24.39 11.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.392 -0.818 . . . . 0.0 110.93 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.453 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 2.1 mm-40 -70.04 -49.35 52.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.104 -0.998 . . . . 0.0 109.007 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.719 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 4.4 m-85 49.04 -177.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.607 -0.683 . . . . 0.0 111.089 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 28.0 tt0 66.08 -62.7 0.25 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.738 0.78 . . . . 0.0 109.151 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' B' ' 42' ' ' PHE . 24.9 pt-20 -82.4 -29.56 30.74 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.312 0.577 . . . . 0.0 109.743 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.792 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.47 -47.8 13.76 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.4 -0.813 . . . . 0.0 111.223 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.711 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -68.77 -19.88 64.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.071 -1.018 . . . . 0.0 110.784 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' B' ' 43' ' ' GLU . 0.7 OUTLIER -78.87 -51.1 10.17 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.983 -1.073 . . . . 0.0 109.707 179.374 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.6 mt -51.04 -30.97 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.211 -0.931 . . . . 0.0 109.321 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.419 ' NH2' ' HB2' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -55.81 -23.86 32.7 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.419 ' HB2' ' NH2' ' B' ' 49' ' ' ARG . 9.2 t0 -79.43 -35.6 40.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.306 -0.871 . . . . 0.0 109.812 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.589 ' O ' HD12 ' B' ' 55' ' ' LEU . 17.9 mt-30 -69.28 -40.96 77.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.281 -0.887 . . . . 0.0 109.922 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.823 ' CD1' HG23 ' B' ' 26' ' ' ILE . 1.0 OUTLIER -54.79 -37.65 66.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.294 -0.879 . . . . 0.0 109.978 179.795 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.23 -54.92 22.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.33 -0.856 . . . . 0.0 110.023 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' B' ' 57' ' ' GLU . 2.7 mt-30 -57.73 -41.09 81.12 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.268 -0.895 . . . . 0.0 110.002 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.589 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.3 OUTLIER -55.02 -28.82 55.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.335 -0.853 . . . . 0.0 110.061 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -58.44 -63.08 1.4 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.27 -0.894 . . . . 0.0 110.046 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.5 pt-20 -57.5 -23.62 51.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.221 -0.924 . . . . 0.0 109.95 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 0.4 OUTLIER -63.45 -19.77 65.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.357 -0.84 . . . . 0.0 110.305 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 59' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' B' ' 59' ' ' PHE . 17.5 t80 -48.52 -36.45 15.31 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.197 -0.939 . . . . 0.0 110.568 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 58.8 mt -72.99 -36.81 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.303 -0.873 . . . . 0.0 110.031 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.82 -20.41 61.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.0 110.192 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.9 -61.21 1.53 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.178 -0.951 . . . . 0.0 110.202 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.185 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.207 0.527 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 17.8 tt0 53.01 54.34 12.91 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 0.0 110.236 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.8 Cg_endo -73.06 -52.73 0.14 Allowed 'Trans proline' 0 C--N 1.311 -1.403 0 O-C-N 123.724 1.381 . . . . 0.0 110.35 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.02 -81.78 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.436 -0.79 . . . . 0.0 110.377 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 10' ' ' PRO . 3.8 p-10 -155.65 22.45 0.4 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.243 -0.911 . . . . 0.0 110.263 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -88.85 -48.22 0.42 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.261 -0.899 . . . . 0.0 110.184 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.532 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 52.1 Cg_endo -84.82 -44.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.346 1.182 . . . . 0.0 109.726 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.73 84.19 4.07 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.504 -0.748 . . . . 0.0 110.367 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -174.86 77.4 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.309 -0.869 . . . . 0.0 110.092 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 ptp -123.65 -18.99 5.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.314 -0.866 . . . . 0.0 110.729 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.422 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 0.7 OUTLIER 57.19 168.43 0.06 OUTLIER Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.071 -1.018 . . . . 0.0 109.988 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.641 ' HG3' HD23 ' A' ' 22' ' ' LEU . 43.8 Cg_endo -70.37 -7.93 22.4 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 O-C-N 123.582 1.306 . . . . 0.0 111.338 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? 63.59 -70.48 0.07 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.471 -0.768 . . . . 0.0 110.863 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -53.38 -60.38 3.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.866 -1.146 . . . . 0.0 109.771 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.976 HD11 HD11 ' A' ' 26' ' ' ILE . 4.0 tp -55.33 -61.16 2.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.416 -0.803 . . . . 0.0 109.215 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.414 ' OE1' ' CB ' ' A' ' 18' ' ' SER . 29.5 tt0 -49.05 -42.96 40.25 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.373 -0.83 . . . . 0.0 110.307 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -67.03 -32.89 74.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.918 . . . . 0.0 109.981 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -72.6 -48.51 39.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.323 -0.86 . . . . 0.0 110.068 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.976 HD11 HD11 ' A' ' 22' ' ' LEU . 80.0 mt -54.16 -54.45 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.207 -0.933 . . . . 0.0 109.952 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -23.8 65.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 110.033 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -79.95 -49.91 11.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.242 -0.911 . . . . 0.0 110.221 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HB3' HD23 ' A' ' 52' ' ' LEU . 4.4 mp -61.01 -44.68 97.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.148 -0.97 . . . . 0.0 110.123 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.8 -46.49 74.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.253 -0.904 . . . . 0.0 110.088 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.32 -30.57 73.55 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.37 -25.77 65.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.289 -1.124 . . . . 0.0 110.111 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.672 ' CE ' HD23 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -63.52 -60.5 3.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.872 . . . . 0.0 110.085 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.7 tpp -60.91 -30.99 70.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.327 -0.858 . . . . 0.0 110.173 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -76.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.331 -0.856 . . . . 0.0 110.391 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.852 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 14.3 m-70 -54.87 -46.23 74.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.197 -0.94 . . . . 0.0 110.11 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.95 -41.25 61.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.194 -0.941 . . . . 0.0 109.881 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -36.17 71.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 109.38 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -91.55 18.55 7.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 0.0 109.682 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.654 HD23 ' CE ' ' B' ' 33' ' ' MET . 6.8 mp 55.27 24.27 6.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.44 -0.788 . . . . 0.0 110.772 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.72 -44.59 77.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.924 . . . . 0.0 109.118 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.696 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 9.6 m-85 49.52 -178.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.572 -0.705 . . . . 0.0 111.077 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 29.3 tt0 66.25 -62.58 0.26 Allowed 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 121.693 0.759 . . . . 0.0 109.047 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' PHE . 14.7 pt-20 -82.55 -31.01 29.31 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-O 121.325 0.584 . . . . 0.0 109.751 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.852 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -80.7 -44.98 17.87 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.292 -0.88 . . . . 0.0 111.166 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.706 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -77.22 -19.63 56.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.176 -0.953 . . . . 0.0 111.113 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 8.3 mm100 -70.56 -36.62 73.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.956 -1.09 . . . . 0.0 110.001 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.0 mt -51.3 -28.67 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.268 -0.895 . . . . 0.0 109.899 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -53.64 -24.35 13.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.423 -0.798 . . . . 0.0 109.33 179.277 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.41 ' CB ' ' NH2' ' A' ' 49' ' ' ARG . 13.3 t0 -78.89 -32.53 45.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.329 -0.857 . . . . 0.0 109.802 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -80.13 -46.7 15.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.301 -0.875 . . . . 0.0 109.977 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.557 ' O ' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -59.38 -37.17 77.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.29 -0.881 . . . . 0.0 110.063 179.824 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.1 -51.67 67.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.887 . . . . 0.0 110.09 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -37.19 64.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -0.848 . . . . 0.0 110.102 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.86 -34.64 78.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 0.0 110.131 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -53.59 -56.8 14.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.322 -0.861 . . . . 0.0 110.062 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.48 -39.04 82.43 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.265 -0.897 . . . . 0.0 109.886 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -53.24 -22.82 7.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 0.0 110.176 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.771 ' HA ' HD21 ' A' ' 22' ' ' LEU . 29.1 t80 -52.21 -54.19 34.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.246 -0.908 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.2 -38.61 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.196 -0.94 . . . . 0.0 110.173 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 58' ' ' LEU . . . -55.76 -22.82 26.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.23 -0.919 . . . . 0.0 110.186 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.73 -72.57 0.66 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.229 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.275 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.254 0.549 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' B' ' 10' ' ' PRO . 17.8 tt0 53.13 54.24 12.62 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.153 -0.967 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.7 Cg_endo -73.02 -52.66 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.725 1.382 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.95 -81.75 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.368 -0.833 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 10' ' ' PRO . 3.8 p-10 -155.62 22.35 0.4 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.532 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -88.85 -48.14 0.42 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.169 -0.957 . . . . 0.0 110.139 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.532 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 52.1 Cg_endo -84.87 -44.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.298 0 O-C-N 123.271 1.143 . . . . 0.0 109.748 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.72 84.15 4.07 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.531 -0.731 . . . . 0.0 110.379 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -174.82 77.5 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.212 -0.93 . . . . 0.0 110.036 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptp -123.62 -19.06 5.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.406 -0.808 . . . . 0.0 110.786 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.418 ' CB ' ' OE1' ' B' ' 23' ' ' GLN . 0.7 OUTLIER 57.17 168.38 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.096 -1.002 . . . . 0.0 109.976 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.633 ' HG3' HD23 ' B' ' 22' ' ' LEU . 44.0 Cg_endo -70.3 -8.02 22.61 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 O-C-N 123.545 1.287 . . . . 0.0 111.264 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? 63.6 -70.52 0.07 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.47 -0.769 . . . . 0.0 110.797 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -53.26 -60.47 3.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.923 -1.111 . . . . 0.0 109.794 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.986 HD11 HD11 ' B' ' 26' ' ' ILE . 4.0 tp -55.36 -61.16 2.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.342 -0.849 . . . . 0.0 109.163 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.418 ' OE1' ' CB ' ' B' ' 18' ' ' SER . 29.6 tt0 -49.04 -42.88 39.87 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.459 -0.775 . . . . 0.0 110.321 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -67.04 -32.98 74.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.268 -0.895 . . . . 0.0 109.844 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -72.67 -48.38 39.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.327 -0.858 . . . . 0.0 110.085 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.986 HD11 HD11 ' B' ' 22' ' ' LEU . 80.1 mt -54.34 -54.33 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 0.0 109.908 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -23.7 65.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.281 -0.887 . . . . 0.0 110.007 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.04 -49.88 11.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.317 -0.864 . . . . 0.0 110.159 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.433 ' HB3' HD23 ' B' ' 52' ' ' LEU . 4.4 mp -61.02 -44.65 97.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.92 . . . . 0.0 110.116 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.87 -46.46 74.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.293 -0.879 . . . . 0.0 110.081 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.32 -30.51 73.52 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.51 -25.69 65.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -1.12 . . . . 0.0 110.108 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.654 ' CE ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -63.44 -60.6 3.15 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.289 -0.882 . . . . 0.0 110.088 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 37.5 tpp -60.84 -31.03 70.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 0.0 110.143 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -76.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.268 -0.895 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.837 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 14.3 m-70 -54.8 -46.35 74.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.09 -1.006 . . . . 0.0 110.06 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.86 -41.28 61.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.148 -0.97 . . . . 0.0 109.841 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -36.17 71.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.324 -0.86 . . . . 0.0 109.372 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -91.6 18.58 7.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.672 HD23 ' CE ' ' A' ' 33' ' ' MET . 6.8 mp 55.26 24.39 6.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.459 -0.776 . . . . 0.0 110.682 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' B' ' 36' ' ' HIS . 2.2 mm-40 -67.73 -44.72 76.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.307 -0.871 . . . . 0.0 109.039 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.706 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 9.6 m-85 49.47 -178.03 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.588 -0.695 . . . . 0.0 111.026 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.502 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 29.3 tt0 66.13 -62.48 0.26 Allowed 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.7 0.762 . . . . 0.0 109.091 -178.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' B' ' 42' ' ' PHE . 14.7 pt-20 -82.55 -30.98 29.32 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.368 0.604 . . . . 0.0 109.78 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.837 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.71 -45.04 17.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 0.0 111.184 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.696 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -77.23 -19.58 56.44 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.186 -0.946 . . . . 0.0 111.076 -178.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 8.3 mm100 -70.55 -36.7 73.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.86 -1.15 . . . . 0.0 110.042 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.4 ' HB ' ' HG3' ' B' ' 33' ' ' MET . 60.9 mt -51.24 -28.69 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.211 -0.931 . . . . 0.0 109.881 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.41 ' NH2' ' CB ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -53.76 -24.22 14.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.427 -0.796 . . . . 0.0 109.293 179.319 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.41 ' CB ' ' NH2' ' B' ' 49' ' ' ARG . 13.3 t0 -78.84 -32.55 46.18 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.338 -0.851 . . . . 0.0 109.943 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -80.16 -46.71 15.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.302 -0.874 . . . . 0.0 109.964 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.545 HD13 ' O ' ' B' ' 52' ' ' LEU . 0.3 OUTLIER -59.33 -37.18 77.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.236 -0.915 . . . . 0.0 110.063 179.792 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -56.08 -51.62 67.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.31 -0.869 . . . . 0.0 110.066 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.13 -37.11 64.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.881 . . . . 0.0 110.075 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.86 -34.73 79.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.902 . . . . 0.0 110.1 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 ttt85 -53.56 -56.68 15.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.925 . . . . 0.0 110.129 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.62 -38.85 82.44 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.248 -0.908 . . . . 0.0 109.941 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.455 ' HA ' ' HB3' ' B' ' 61' ' ' ALA . 0.1 OUTLIER -53.31 -22.82 7.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -0.882 . . . . 0.0 110.204 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 59' ' ' PHE . . . . . 0.751 ' HA ' HD21 ' B' ' 22' ' ' LEU . 28.6 t80 -52.2 -54.28 32.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.07 -38.67 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.325 -0.859 . . . . 0.0 110.213 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' B' ' 58' ' ' LEU . . . -55.73 -22.77 25.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.273 -0.892 . . . . 0.0 110.227 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.78 -72.55 0.66 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.305 -0.872 . . . . 0.0 110.194 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.2 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.215 0.531 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -152.42 78.1 6.45 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.246 -0.909 . . . . 0.0 110.155 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.5 Cg_endo -73.29 -54.13 0.12 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.797 1.419 . . . . 0.0 110.524 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.48 -76.69 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.327 -0.858 . . . . 0.0 110.517 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -170.69 42.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.17 -0.956 . . . . 0.0 110.075 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.546 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -62.28 -55.64 38.2 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.255 -0.903 . . . . 0.0 109.957 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.546 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 48.1 Cg_endo -76.12 -89.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.357 0 O-C-N 123.319 1.168 . . . . 0.0 109.761 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.28 128.26 0.07 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.982 -1.073 . . . . 0.0 109.98 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 55.03 63.4 2.14 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.27 -0.894 . . . . 0.0 110.02 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 18' ' ' SER . 5.4 ptt? -50.75 -36.94 39.13 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.345 -0.847 . . . . 0.0 110.643 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.445 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 9.0 m -147.82 161.86 33.56 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.164 -0.96 . . . . 0.0 110.473 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 22' ' ' LEU . 56.1 Cg_endo -85.36 31.38 0.49 Allowed 'Trans proline' 0 C--N 1.312 -1.358 0 O-C-N 123.737 1.388 . . . . 0.0 111.662 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 67.25 -65.62 0.22 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.954 -1.091 . . . . 0.0 110.118 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -49.39 -49.29 45.29 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.12 -0.987 . . . . 0.0 109.669 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -66.33 -56.21 12.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.429 -0.794 . . . . 0.0 108.872 178.685 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.445 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -47.76 -51.94 20.47 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.3 0.571 . . . . 0.0 110.486 179.558 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -35.32 80.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.908 . . . . 0.0 110.213 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -66.39 -43.72 85.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.285 -0.885 . . . . 0.0 110.239 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.576 HD11 HD12 ' A' ' 22' ' ' LEU . 97.5 mt -69.02 -53.8 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.213 -0.929 . . . . 0.0 110.168 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -58.57 -23.04 57.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 110.16 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -65.82 0.64 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 0.0 110.156 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.74 -37.35 86.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 110.15 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -46.65 89.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.183 -0.948 . . . . 0.0 109.92 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.32 -31.69 62.95 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 33.7 tp -75.8 -31.65 59.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -1.124 . . . . 0.0 109.964 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.488 ' HE2' ' HB2' ' A' ' 49' ' ' ARG . 5.2 tmm? -80.18 -26.95 39.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.412 -0.805 . . . . 0.0 110.214 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.19 -44.77 19.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.261 -0.899 . . . . 0.0 110.767 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 36' ' ' HIS . 5.0 pt20 -54.33 -36.31 63.64 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.22 -0.925 . . . . 0.0 110.643 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.444 ' N ' ' HG3' ' A' ' 35' ' ' GLN . 40.1 m80 -80.19 -49.16 12.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.99 . . . . 0.0 110.237 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.902 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -50.59 -34.98 27.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.218 -0.926 . . . . 0.0 110.116 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -71.55 -38.66 70.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 109.926 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -92.31 20.07 6.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.248 -0.908 . . . . 0.0 110.105 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 53.78 24.17 4.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 110.448 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -108.02 14.77 24.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.303 -0.873 . . . . 0.0 110.089 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.069 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -76.75 27.49 0.13 Allowed 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.082 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.53 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 24.0 tt0 -56.23 -69.64 0.14 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.281 -1.512 . . . . 0.0 107.369 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 2.7 pt-20 -82.3 -20.06 38.18 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.639 -0.663 . . . . 0.0 109.43 177.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 1.069 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -72.45 -48.38 41.45 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.202 -0.937 . . . . 0.0 110.982 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.478 ' HB2' ' CD2' ' A' ' 42' ' ' PHE . . . -53.01 -34.02 54.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.107 -0.995 . . . . 0.0 110.462 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -53.82 -28.85 37.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.203 -0.935 . . . . 0.0 110.054 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.459 HG22 HD23 ' A' ' 52' ' ' LEU . 34.3 mm -52.36 -30.09 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.146 -0.971 . . . . 0.0 109.323 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.488 ' HB2' ' HE2' ' A' ' 33' ' ' MET . 0.0 OUTLIER -53.97 -26.45 25.88 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.701 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 3.6 t0 -68.63 -36.14 78.22 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.511 -0.743 . . . . 0.0 109.392 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.934 ' O ' HD12 ' A' ' 55' ' ' LEU . 63.9 mt-30 -78.91 -35.81 42.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.352 -0.842 . . . . 0.0 109.828 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' CD1' HG23 ' A' ' 26' ' ' ILE . 1.1 mm? -57.66 -26.0 61.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.406 -0.809 . . . . 0.0 110.144 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.45 -45.54 30.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 0.0 110.268 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.41 -39.89 95.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.274 -0.891 . . . . 0.0 110.241 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.934 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -56.2 -29.08 60.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.185 -0.947 . . . . 0.0 110.167 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -54.45 -45.49 73.11 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 0.0 110.115 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.42 -61.7 2.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.268 -0.895 . . . . 0.0 110.188 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mt -45.58 -25.67 0.49 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 0.0 111.344 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 28.8 t80 -48.96 -47.85 43.58 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.991 -1.068 . . . . 0.0 110.642 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.9 mt -63.54 -41.78 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.3 -0.875 . . . . 0.0 110.15 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.64 -20.58 34.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.311 -0.868 . . . . 0.0 110.169 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.32 -64.59 1.07 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.183 -0.948 . . . . 0.0 110.203 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.233 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.232 0.539 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -152.38 77.99 6.51 Favored Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.309 -0.869 . . . . 0.0 110.211 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' B' ' 12' ' ' ASN . 45.7 Cg_endo -73.17 -54.21 0.12 Allowed 'Trans proline' 0 C--N 1.311 -1.403 0 O-C-N 123.722 1.38 . . . . 0.0 110.53 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.59 -76.74 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.37 -0.831 . . . . 0.0 110.507 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 10' ' ' PRO . 0.3 OUTLIER -170.75 42.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.151 -0.968 . . . . 0.0 110.065 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.547 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -62.29 -55.64 38.16 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.191 -0.943 . . . . 0.0 109.911 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.547 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 47.5 Cg_endo -76.18 -89.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.367 1.193 . . . . 0.0 109.728 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.24 128.2 0.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.885 -1.134 . . . . 0.0 110.027 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 55.08 63.44 2.12 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.134 -0.979 . . . . 0.0 109.988 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' B' ' 18' ' ' SER . 5.4 ptt? -50.77 -36.94 39.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.318 -0.863 . . . . 0.0 110.646 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.45 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 9.3 m -147.8 161.9 33.45 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.06 -1.025 . . . . 0.0 110.458 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' B' ' 22' ' ' LEU . 56.5 Cg_endo -85.29 31.19 0.49 Allowed 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.68 1.358 . . . . 0.0 111.741 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 67.3 -65.65 0.22 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.951 -1.093 . . . . 0.0 110.129 -179.673 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -49.35 -49.36 44.66 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.112 -0.993 . . . . 0.0 109.664 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.573 HD12 HD11 ' B' ' 26' ' ' ILE . 0.1 OUTLIER -66.37 -56.11 12.63 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.677 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 0.0 OUTLIER -47.83 -51.85 21.21 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.264 0.554 . . . . 0.0 110.505 179.594 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -35.29 80.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.31 -0.869 . . . . 0.0 110.213 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -66.4 -43.76 84.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.265 -0.897 . . . . 0.0 110.222 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.573 HD11 HD12 ' B' ' 22' ' ' LEU . 97.5 mt -68.95 -53.95 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.923 . . . . 0.0 110.114 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -58.54 -23.05 57.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.275 -0.891 . . . . 0.0 110.151 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -65.83 0.63 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.861 . . . . 0.0 110.207 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.416 ' CB ' HD21 ' B' ' 52' ' ' LEU . 1.5 mp -65.75 -37.37 86.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.933 . . . . 0.0 110.103 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.72 -46.61 89.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.91 . . . . 0.0 109.932 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.35 -31.64 62.99 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.418 ' HA ' ' NE2' ' B' ' 35' ' ' GLN . 33.8 tp -75.85 -31.54 59.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -1.131 . . . . 0.0 110.026 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.477 ' HE2' ' HB2' ' B' ' 49' ' ' ARG . 5.2 tmm? -80.25 -26.89 38.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.356 -0.84 . . . . 0.0 110.221 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -44.8 19.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.374 -0.829 . . . . 0.0 110.69 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' B' ' 36' ' ' HIS . 5.0 pt20 -54.44 -36.28 63.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.157 -0.964 . . . . 0.0 110.564 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' B' ' 35' ' ' GLN . 40.6 m80 -80.13 -49.15 12.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.1 -1.0 . . . . 0.0 110.349 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.902 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -50.56 -35.08 28.1 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.245 -0.909 . . . . 0.0 110.047 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -71.45 -38.69 71.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.306 -0.871 . . . . 0.0 110.027 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -92.33 20.07 6.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 0.0 110.097 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 53.8 24.23 4.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.215 -0.928 . . . . 0.0 110.346 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -108.11 14.7 24.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.345 -0.847 . . . . 0.0 110.091 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 1.048 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 0.0 OUTLIER -76.56 27.29 0.13 Allowed 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -179.146 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.515 ' O ' ' NE2' ' B' ' 47' ' ' GLN . 23.9 tt0 -56.1 -69.64 0.14 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.299 -1.501 . . . . 0.0 107.441 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 2.7 pt-20 -82.29 -20.02 38.33 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.664 -0.647 . . . . 0.0 109.482 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 1.048 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -72.55 -48.42 40.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.209 -0.932 . . . . 0.0 110.947 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.479 ' HB2' ' CD2' ' B' ' 42' ' ' PHE . . . -52.89 -34.07 53.15 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.082 -1.011 . . . . 0.0 110.477 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' B' ' 43' ' ' GLU . 0.1 OUTLIER -53.81 -28.75 37.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.214 -0.929 . . . . 0.0 110.087 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.456 HG22 HD23 ' B' ' 52' ' ' LEU . 34.5 mm -52.42 -29.98 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.132 -0.98 . . . . 0.0 109.348 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.477 ' HB2' ' HE2' ' B' ' 33' ' ' MET . 0.0 OUTLIER -54.01 -26.49 26.55 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -68.66 -36.19 78.23 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.44 -0.788 . . . . 0.0 109.326 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.943 ' O ' HD12 ' B' ' 55' ' ' LEU . 63.8 mt-30 -78.94 -35.79 42.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.325 -0.859 . . . . 0.0 109.795 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.485 ' CD1' HG23 ' B' ' 26' ' ' ILE . 1.1 mm? -57.64 -26.03 61.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.372 -0.83 . . . . 0.0 110.193 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.36 -45.63 31.09 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.295 -0.878 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.24 -40.03 96.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.943 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.4 OUTLIER -56.16 -29.15 60.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.903 . . . . 0.0 110.19 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' B' ' 59' ' ' PHE . 0.5 OUTLIER -54.32 -45.6 72.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.236 -0.915 . . . . 0.0 110.137 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.44 -61.63 2.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.283 -0.886 . . . . 0.0 110.174 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mt -45.63 -25.59 0.49 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.568 -0.707 . . . . 0.0 111.32 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' B' ' 56' ' ' ARG . 28.9 t80 -48.99 -47.98 43.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.962 -1.087 . . . . 0.0 110.584 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 16.9 mt -63.38 -41.86 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.171 -0.956 . . . . 0.0 110.16 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.69 -20.49 34.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.203 -0.936 . . . . 0.0 110.181 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.36 -64.53 1.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.188 -0.945 . . . . 0.0 110.19 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.213 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.321 0.581 . . . . 0.0 110.226 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 53.13 86.15 0.17 Allowed Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.155 -0.966 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.7 Cg_endo -72.8 -45.75 0.48 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 O-C-N 123.658 1.346 . . . . 0.0 110.364 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.67 -79.47 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.395 -0.815 . . . . 0.0 110.388 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' PRO . 2.6 p-10 -153.54 22.87 0.53 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.21 -0.931 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -67.48 -57.63 10.02 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.23 -0.919 . . . . 0.0 109.728 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.532 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 51.1 Cg_endo -76.01 -49.17 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.437 1.23 . . . . 0.0 109.247 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 tpp -175.17 174.17 2.47 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.609 -0.682 . . . . 0.0 110.04 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -168.24 73.21 0.1 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.206 -0.934 . . . . 0.0 110.349 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' 18' ' ' SER . 5.1 ptp -52.51 -38.7 60.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 0.0 110.194 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.452 ' HB3' ' N ' ' A' ' 23' ' ' GLN . 73.8 m -105.98 141.29 22.41 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.294 -0.879 . . . . 0.0 110.007 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 21' ' ' ALA . 49.1 Cg_endo -70.98 55.95 1.85 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.616 1.324 . . . . 0.0 111.57 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' CD ' ' C ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 56.42 -74.31 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.567 -0.708 . . . . 0.0 111.252 178.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -48.16 -47.16 35.15 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.977 -1.077 . . . . 0.0 109.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.475 ' HB2' ' HG2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -66.3 -50.69 62.8 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.369 -0.832 . . . . 0.0 109.173 178.771 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.452 ' N ' ' HB3' ' A' ' 18' ' ' SER . 6.3 tt0 -51.46 -56.78 11.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.721 -0.612 . . . . 0.0 110.361 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -43.92 97.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.323 -0.861 . . . . 0.0 110.311 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -52.91 -50.54 63.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.227 -0.921 . . . . 0.0 110.361 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.743 HG23 ' CD1' ' A' ' 52' ' ' LEU . 90.7 mt -66.64 -58.26 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 0.0 110.294 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -55.14 -21.29 12.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 110.358 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.64 -44.81 26.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 0.0 110.302 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.581 ' HB2' HD21 ' A' ' 52' ' ' LEU . 13.9 mt -75.14 -40.82 59.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.226 -0.921 . . . . 0.0 110.348 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -41.23 79.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.216 -0.928 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.83 -27.31 73.98 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 tp -80.0 -27.66 39.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.204 -1.174 . . . . 0.0 110.237 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.935 ' HE2' HD21 ' B' ' 40' ' ' LEU . 4.7 tmm? -73.51 -56.95 4.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.955 . . . . 0.0 110.292 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.48 -37.11 64.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -0.881 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -73.9 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.23 -0.919 . . . . 0.0 110.318 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.863 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 14.7 m-70 -47.11 -54.16 11.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.315 -0.866 . . . . 0.0 110.878 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.79 48.75 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.08 -1.013 . . . . 0.0 109.719 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -68.27 -31.8 71.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.397 -0.814 . . . . 0.0 109.237 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -90.46 15.17 11.2 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.524 -0.735 . . . . 0.0 109.836 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.848 HD21 ' CE ' ' B' ' 33' ' ' MET . 0.2 OUTLIER 59.78 27.96 17.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.324 -0.86 . . . . 0.0 111.092 179.788 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 3.6 mm-40 -77.63 -45.87 23.79 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.022 . . . . 0.0 109.104 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.699 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 3.5 m-85 49.47 -178.41 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.585 -0.697 . . . . 0.0 111.094 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 45.8 tt0 66.12 -62.68 0.25 Allowed 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 121.767 0.794 . . . . 0.0 109.113 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' CD ' ' CD2' ' A' ' 36' ' ' HIS . 16.8 pt-20 -82.15 -30.4 31.06 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-O 121.377 0.608 . . . . 0.0 109.553 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.863 ' HB2' ' HB2' ' A' ' 36' ' ' HIS . . . -80.58 -48.39 12.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.327 -0.858 . . . . 0.0 110.893 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -69.13 -19.83 64.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -0.952 . . . . 0.0 110.429 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.72 -50.18 12.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.098 -1.001 . . . . 0.0 109.67 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.4 mt -51.61 -32.4 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.206 -0.934 . . . . 0.0 109.566 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.407 ' NH2' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -54.22 -24.8 19.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.506 -0.746 . . . . 0.0 109.214 178.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.407 ' CB ' ' NH2' ' A' ' 49' ' ' ARG . 12.2 t0 -80.07 -29.7 39.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.34 -0.85 . . . . 0.0 109.852 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.11 -40.45 68.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.326 -0.859 . . . . 0.0 110.069 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.743 ' CD1' HG23 ' A' ' 26' ' ' ILE . 1.2 mm? -53.18 -30.62 38.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.201 -0.937 . . . . 0.0 110.093 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -37.81 33.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -0.906 . . . . 0.0 109.996 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.73 -39.31 84.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.299 -0.875 . . . . 0.0 110.111 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -21.18 59.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.33 -0.856 . . . . 0.0 110.225 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ttt85 -52.83 -51.89 59.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.221 -0.925 . . . . 0.0 110.213 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.34 -44.26 79.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 0.0 110.031 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -22.74 8.29 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.31 -0.869 . . . . 0.0 110.164 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -52.64 -38.96 61.25 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.243 -0.91 . . . . 0.0 110.251 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.4 mt -71.85 -36.16 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.214 -0.929 . . . . 0.0 110.188 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.39 -21.92 66.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.217 -0.927 . . . . 0.0 110.159 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.05 -66.33 0.91 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.249 -0.907 . . . . 0.0 110.234 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.6 p . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.201 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.281 0.562 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 53.15 86.26 0.17 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.312 -0.868 . . . . 0.0 110.157 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' B' ' 12' ' ' ASN . 45.9 Cg_endo -72.82 -45.7 0.48 Allowed 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.725 1.381 . . . . 0.0 110.419 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.54 -79.46 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.468 -0.77 . . . . 0.0 110.448 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 10' ' ' PRO . 2.6 p-10 -153.52 22.88 0.53 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.528 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -67.44 -57.66 10.03 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.189 -0.944 . . . . 0.0 109.685 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.528 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 51.2 Cg_endo -76.02 -49.3 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 O-C-N 123.442 1.233 . . . . 0.0 109.196 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.9 tpp -175.09 174.23 2.49 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.605 -0.684 . . . . 0.0 110.02 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -168.19 73.17 0.11 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.17 -0.956 . . . . 0.0 110.347 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' B' ' 18' ' ' SER . 5.1 ptp -52.48 -38.75 60.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.289 -0.882 . . . . 0.0 110.199 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.45 ' HB3' ' N ' ' B' ' 23' ' ' GLN . 74.0 m -105.94 141.21 22.22 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.223 -0.923 . . . . 0.0 110.091 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' B' ' 21' ' ' ALA . 50.8 Cg_endo -70.84 56.01 1.8 Allowed 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.585 1.308 . . . . 0.0 111.614 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.417 ' CD ' ' C ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 56.33 -74.3 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.406 0 O-C-N 121.564 -0.71 . . . . 0.0 111.322 178.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -48.24 -47.11 36.11 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.962 -1.086 . . . . 0.0 109.892 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.473 ' HB2' ' HG2' ' B' ' 19' ' ' PRO . 0.1 OUTLIER -66.28 -50.73 62.68 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.44 -0.787 . . . . 0.0 109.168 178.786 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.45 ' N ' ' HB3' ' B' ' 18' ' ' SER . 6.3 tt0 -51.46 -56.77 11.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.694 -0.629 . . . . 0.0 110.323 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -43.91 97.99 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 0.0 110.335 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -52.83 -50.63 63.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 0.0 110.37 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.749 HG23 ' CD1' ' B' ' 52' ' ' LEU . 90.7 mt -66.57 -58.28 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.252 -0.905 . . . . 0.0 110.338 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -55.16 -21.33 13.05 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.221 -0.924 . . . . 0.0 110.302 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.56 -44.89 27.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.941 . . . . 0.0 110.317 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.581 ' HB2' HD21 ' B' ' 52' ' ' LEU . 13.8 mt -75.05 -41.01 59.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.212 -0.93 . . . . 0.0 110.262 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -41.18 79.43 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.302 -0.874 . . . . 0.0 110.234 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.87 -27.25 74.04 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 tp -80.09 -27.62 39.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.271 -1.135 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' MET . . . . . 0.848 ' CE ' HD21 ' A' ' 40' ' ' LEU . 4.7 tmm? -73.46 -56.9 4.43 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.934 . . . . 0.0 110.297 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.59 -37.12 65.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.164 -0.96 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.62 -73.87 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.313 -0.867 . . . . 0.0 110.325 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.843 ' HB2' ' HB2' ' B' ' 45' ' ' ALA . 15.1 m-70 -47.06 -54.21 10.88 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.41 -0.806 . . . . 0.0 110.889 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.81 -43.79 48.83 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.102 -0.999 . . . . 0.0 109.66 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -68.23 -31.81 71.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.361 -0.837 . . . . 0.0 109.291 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -90.56 15.31 11.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.447 -0.783 . . . . 0.0 109.806 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.935 HD21 ' HE2' ' A' ' 33' ' ' MET . 0.2 OUTLIER 59.79 27.9 17.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.315 -0.866 . . . . 0.0 111.1 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.451 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 3.6 mm-40 -77.55 -45.99 23.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.072 -1.018 . . . . 0.0 109.136 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.7 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 3.5 m-85 49.58 -178.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.597 -0.689 . . . . 0.0 111.085 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 45.9 tt0 66.04 -62.55 0.25 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.78 0.8 . . . . 0.0 109.128 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.471 ' CD ' ' CD2' ' B' ' 36' ' ' HIS . 16.8 pt-20 -82.16 -30.4 31.03 Favored 'General case' 0 C--N 1.29 -1.978 0 CA-C-O 121.366 0.603 . . . . 0.0 109.559 178.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.843 ' HB2' ' HB2' ' B' ' 36' ' ' HIS . . . -80.57 -48.47 12.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.911 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.699 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -69.14 -19.82 64.03 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.909 . . . . 0.0 110.412 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.64 -50.24 12.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.135 -0.978 . . . . 0.0 109.713 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 69.5 mt -51.54 -32.47 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.256 -0.902 . . . . 0.0 109.459 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.409 ' NH2' ' HB2' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -54.28 -24.67 19.81 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.49 -0.756 . . . . 0.0 109.141 179.065 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.409 ' HB2' ' NH2' ' B' ' 49' ' ' ARG . 12.3 t0 -80.24 -29.58 38.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 0.0 109.808 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.21 -40.4 67.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.308 -0.87 . . . . 0.0 110.034 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.749 ' CD1' HG23 ' B' ' 26' ' ' ILE . 1.2 mm? -53.24 -30.56 38.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 0.0 110.085 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -37.73 33.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.338 -0.851 . . . . 0.0 110.097 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -67.79 -39.24 84.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.883 . . . . 0.0 110.12 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -21.23 59.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.909 . . . . 0.0 110.192 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ttt85 -52.82 -51.94 58.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.206 -0.934 . . . . 0.0 110.258 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.29 -44.18 79.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 110.111 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -22.88 7.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.367 -0.833 . . . . 0.0 110.205 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -52.63 -38.96 61.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.279 -0.888 . . . . 0.0 110.228 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 29.3 mt -71.81 -36.21 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.254 -0.904 . . . . 0.0 110.138 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.37 -21.83 66.51 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.317 -0.865 . . . . 0.0 110.177 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.13 -66.45 0.91 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.182 -0.948 . . . . 0.0 110.179 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.229 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.238 0.542 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -159.23 75.66 3.23 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.266 -0.896 . . . . 0.0 110.177 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 12' ' ' ASN . 44.4 Cg_endo -73.81 -57.5 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.657 1.346 . . . . 0.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.32 -83.02 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.485 -0.759 . . . . 0.0 110.436 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' PRO . 3.5 p-10 -149.23 34.57 0.73 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.193 -0.942 . . . . 0.0 110.095 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.638 HG12 ' HD3' ' A' ' 14' ' ' PRO . 7.3 p -81.66 -24.94 0.39 Allowed Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.257 -0.902 . . . . 0.0 112.899 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.638 ' HD3' HG12 ' A' ' 13' ' ' VAL . 49.7 Cg_endo -79.63 -58.83 0.03 OUTLIER 'Trans proline' 0 N--CA 1.481 0.749 0 N-CA-C 110.193 -0.733 . . . . 0.0 110.193 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.6 mtt 50.6 -169.92 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.275 -0.891 . . . . 0.0 110.512 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -158.46 43.53 0.28 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.263 -0.898 . . . . 0.0 110.057 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.8 ptm -53.55 -28.67 32.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.26 -0.9 . . . . 0.0 110.297 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.427 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 1.3 m -65.78 148.8 98.04 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.238 -0.913 . . . . 0.0 110.241 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.487 ' HG2' HD13 ' A' ' 22' ' ' LEU . 49.4 Cg_endo -86.3 30.51 0.48 Allowed 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.633 1.333 . . . . 0.0 111.654 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 19' ' ' PRO . 11.2 tmtt? 63.83 -68.83 0.09 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.194 -0.941 . . . . 0.0 111.504 179.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.97 -48.3 21.62 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.094 -1.004 . . . . 0.0 110.984 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 22' ' ' LEU . 10.2 mp -80.75 -37.76 29.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.294 -0.879 . . . . 0.0 109.38 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -50.35 -53.29 30.06 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.783 -0.573 . . . . 0.0 110.524 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -66.8 -41.65 87.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.161 -0.962 . . . . 0.0 110.393 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -62.17 -38.3 88.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 110.436 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.511 HG23 ' CD1' ' A' ' 52' ' ' LEU . 95.3 mt -80.06 -43.76 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.22 -0.925 . . . . 0.0 110.47 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -65.63 -31.52 72.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.241 -0.912 . . . . 0.0 110.535 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -80.11 -37.89 32.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.156 -0.965 . . . . 0.0 110.445 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.567 ' HB3' HD23 ' A' ' 52' ' ' LEU . 35.5 mt -73.13 -34.09 65.91 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.167 -0.958 . . . . 0.0 110.441 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.04 -50.22 74.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.0 110.452 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.37 -29.08 73.0 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 32' ' ' LEU . 7.9 tp -63.49 -30.4 71.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.153 -1.204 . . . . 0.0 110.392 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mtp -62.6 -58.23 8.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 0.0 110.418 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 ttm -57.92 -43.29 86.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.277 -0.89 . . . . 0.0 110.473 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -75.7 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.236 -0.915 . . . . 0.0 110.559 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.762 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 15.6 m-70 -50.83 -54.65 21.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.207 -0.933 . . . . 0.0 110.569 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.41 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -48.02 -41.17 24.91 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.178 -0.951 . . . . 0.0 110.177 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -61.94 -33.53 74.44 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.276 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -91.77 18.52 7.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.43 -0.794 . . . . 0.0 109.606 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.445 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.0 mp 55.83 23.52 6.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.416 -0.803 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 36' ' ' HIS . 2.9 mm-40 -67.29 -47.52 70.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.164 -0.96 . . . . 0.0 108.95 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.697 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 3.9 m-85 48.29 -176.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.682 -0.636 . . . . 0.0 111.247 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 26.4 tt0 65.6 -63.62 0.21 Allowed 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 121.75 0.786 . . . . 0.0 109.151 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' PHE . 14.2 pt-20 -82.63 -29.8 29.86 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-O 121.406 0.622 . . . . 0.0 109.839 178.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.762 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -80.76 -47.11 14.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.334 -0.854 . . . . 0.0 111.288 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.693 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -73.3 -37.76 66.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.15 -0.969 . . . . 0.0 110.779 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 8.2 mm-40 -52.96 -23.11 6.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.9 -1.125 . . . . 0.0 110.245 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.61 -27.98 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.361 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -54.29 -25.79 25.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.02 -1.05 . . . . 0.0 109.93 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.02 -38.85 31.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.359 -0.838 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -75.85 -45.88 33.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.908 . . . . 0.0 110.204 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.567 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -58.5 -36.96 74.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.237 -0.914 . . . . 0.0 110.138 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 2.5 t-80 -71.44 -39.11 71.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.912 . . . . 0.0 110.099 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -71.48 -38.57 71.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.905 . . . . 0.0 109.991 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -60.2 -27.82 67.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -0.869 . . . . 0.0 110.032 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -62.34 -70.63 0.19 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 0.0 109.503 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.608 ' O ' HD12 ' A' ' 60' ' ' ILE . 14.6 mt-10 -51.02 -38.35 50.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.484 -0.76 . . . . 0.0 110.0 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.19 -21.46 13.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.313 -0.867 . . . . 0.0 110.079 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -49.89 -44.68 50.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.248 -0.908 . . . . 0.0 110.287 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.6 mp -67.17 -38.12 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.0 110.107 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -22.13 65.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.266 -0.896 . . . . 0.0 110.059 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.82 -67.93 0.84 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.351 -0.843 . . . . 0.0 110.127 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 117.919 -1.038 . . . . 0.0 110.179 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.245 0.545 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -159.16 75.74 3.24 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.172 -0.955 . . . . 0.0 110.251 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' B' ' 12' ' ' ASN . 44.6 Cg_endo -73.82 -57.49 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.65 1.342 . . . . 0.0 110.566 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.26 -82.97 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.398 -0.814 . . . . 0.0 110.499 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' B' ' 10' ' ' PRO . 3.5 p-10 -149.28 34.65 0.72 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.166 -0.959 . . . . 0.0 110.09 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.637 HG12 ' HD3' ' B' ' 14' ' ' PRO . 7.4 p -81.69 -24.99 0.39 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.872 . . . . 0.0 112.829 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' PRO . . . . . 0.637 ' HD3' HG12 ' B' ' 13' ' ' VAL . 49.6 Cg_endo -79.6 -58.87 0.03 OUTLIER 'Trans proline' 0 N--CA 1.481 0.773 0 N-CA-C 110.196 -0.732 . . . . 0.0 110.196 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.6 mtt 50.67 -169.88 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.0 110.474 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -158.52 43.39 0.27 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.26 -0.9 . . . . 0.0 110.057 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 24.9 ptm -53.36 -28.82 31.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.932 . . . . 0.0 110.318 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' B' ' 19' ' ' PRO . 1.3 m -65.72 148.81 98.0 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.214 -0.929 . . . . 0.0 110.16 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.493 ' HG2' HD13 ' B' ' 22' ' ' LEU . 48.8 Cg_endo -86.32 30.44 0.48 Allowed 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.704 1.37 . . . . 0.0 111.631 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' B' ' 19' ' ' PRO . 11.2 tmtt? 63.88 -68.8 0.09 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.224 -0.922 . . . . 0.0 111.424 179.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.97 -48.32 21.64 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.071 -1.018 . . . . 0.0 110.95 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.634 ' N ' HD12 ' B' ' 22' ' ' LEU . 10.2 mp -80.82 -37.79 29.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 0.0 109.314 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -50.34 -53.14 31.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.765 -0.584 . . . . 0.0 110.615 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -66.87 -41.73 86.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.144 -0.972 . . . . 0.0 110.345 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -62.12 -38.26 88.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.137 -0.977 . . . . 0.0 110.438 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.502 HG23 ' CD1' ' B' ' 52' ' ' LEU . 95.3 mt -80.1 -43.86 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.924 . . . . 0.0 110.463 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -65.61 -31.45 72.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.243 -0.911 . . . . 0.0 110.551 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -80.01 -38.02 32.92 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.147 -0.971 . . . . 0.0 110.438 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.57 ' HB3' HD23 ' B' ' 52' ' ' LEU . 35.4 mt -73.08 -34.19 66.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.194 -0.941 . . . . 0.0 110.408 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.02 -50.17 74.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 110.457 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.38 -29.11 73.0 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.56 -30.33 71.46 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.172 -1.193 . . . . 0.0 110.369 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mtp -62.62 -58.17 8.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.152 -0.968 . . . . 0.0 110.466 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.8 ttm -58.02 -43.11 86.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.274 -0.892 . . . . 0.0 110.555 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.18 -75.81 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.196 -0.94 . . . . 0.0 110.556 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' HIS . . . . . 0.763 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 15.7 m-70 -50.83 -54.63 22.09 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.259 -0.901 . . . . 0.0 110.562 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.41 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -48.04 -41.11 24.9 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.214 -0.929 . . . . 0.0 110.199 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -62.06 -33.33 74.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.202 -0.936 . . . . 0.0 109.313 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -91.85 18.43 7.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.774 . . . . 0.0 109.615 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.435 ' N ' HD12 ' B' ' 40' ' ' LEU . 6.0 mp 55.94 23.53 6.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.475 -0.766 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.37 -47.51 70.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 108.928 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.693 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 3.9 m-85 48.35 -176.32 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.667 -0.645 . . . . 0.0 111.224 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.488 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 26.4 tt0 65.65 -63.57 0.21 Allowed 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.735 0.779 . . . . 0.0 109.127 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' B' ' 42' ' ' PHE . 14.1 pt-20 -82.69 -29.81 29.64 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-O 121.371 0.605 . . . . 0.0 109.836 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.763 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.81 -47.0 14.47 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.399 -0.813 . . . . 0.0 111.243 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.697 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -73.29 -37.81 66.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.205 -0.935 . . . . 0.0 110.864 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 8.2 mm-40 -52.95 -23.12 6.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.99 -1.069 . . . . 0.0 110.208 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 90.6 mt -64.62 -27.94 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.32 -0.862 . . . . 0.0 110.363 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.2 OUTLIER -54.38 -25.63 25.52 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.06 -1.025 . . . . 0.0 109.951 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.09 -38.79 30.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.355 -0.841 . . . . 0.0 110.111 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -75.98 -45.9 32.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.908 . . . . 0.0 110.096 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -58.55 -36.84 74.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.235 -0.916 . . . . 0.0 110.166 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 53' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' B' ' 49' ' ' ARG . 2.5 t-80 -71.42 -39.25 71.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -0.91 . . . . 0.0 110.05 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -71.38 -38.65 71.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 110.052 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.411 ' HB3' HG12 ' B' ' 26' ' ' ILE . 43.0 mt -60.18 -27.95 67.54 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.293 -0.879 . . . . 0.0 109.962 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -62.27 -70.55 0.19 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 0.0 109.562 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.609 ' O ' HD12 ' B' ' 60' ' ' ILE . 14.5 mt-10 -51.05 -38.3 50.7 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.481 -0.762 . . . . 0.0 110.025 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.25 -21.39 14.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.332 -0.855 . . . . 0.0 110.113 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -49.91 -44.68 50.32 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.199 -0.938 . . . . 0.0 110.268 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.609 HD12 ' O ' ' B' ' 57' ' ' GLU . 2.6 mp -67.21 -38.16 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.181 -0.95 . . . . 0.0 110.015 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.1 -22.22 65.63 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.2 -0.938 . . . . 0.0 110.077 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.68 -67.93 0.84 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.354 -0.841 . . . . 0.0 110.269 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' SER . . . . . 0.408 ' HB2' ' HB3' ' B' ' 19' ' ' PRO . 35.2 t . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.215 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.579 ' HG3' HD23 ' A' ' 22' ' ' LEU . 43.7 Cg_endo . . . . . 0 N--CA 1.487 1.097 0 CA-C-O 120.988 0.328 . . . . 0.0 111.489 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? 63.79 -70.31 0.07 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.402 -0.812 . . . . 0.0 110.953 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -52.03 -60.34 3.31 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.906 -1.121 . . . . 0.0 109.846 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.004 HD11 HD11 ' A' ' 26' ' ' ILE . 4.2 tp -56.69 -61.38 2.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.0 109.218 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -49.57 -34.03 16.59 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.389 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -72.39 -36.56 68.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.271 -0.893 . . . . 0.0 110.044 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -45.55 61.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.269 -0.894 . . . . 0.0 110.076 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 1.004 HD11 HD11 ' A' ' 22' ' ' LEU . 71.6 mt -54.63 -55.06 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 110.116 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.56 -22.3 63.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.278 -0.889 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -43.45 21.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.299 -0.875 . . . . 0.0 110.389 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.469 ' HB3' HD23 ' A' ' 52' ' ' LEU . 14.7 mt -71.19 -43.21 67.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.245 -0.909 . . . . 0.0 110.433 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.678 ' N ' HD21 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -61.22 -43.39 98.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.239 -0.913 . . . . 0.0 110.324 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.89 -22.05 70.0 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.496 HD23 HD11 ' A' ' 48' ' ' ILE . 9.0 tp -73.8 -39.88 63.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -1.187 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.661 ' HE1' HD23 ' B' ' 40' ' ' LEU . 9.7 mtp -53.06 -51.66 61.05 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -0.951 . . . . 0.0 110.379 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.468 ' HE1' ' HA ' ' B' ' 38' ' ' GLN . 1.0 OUTLIER -49.23 -45.22 44.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.266 -0.896 . . . . 0.0 110.654 -179.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.07 -74.83 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.18 -0.95 . . . . 0.0 110.425 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.535 ' ND1' ' HB2' ' A' ' 45' ' ' ALA . 2.3 m170 -54.89 -54.98 35.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.252 -0.905 . . . . 0.0 110.759 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.96 -30.62 2.67 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.295 -0.878 . . . . 0.0 110.126 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.541 ' HA ' ' HE1' ' B' ' 34' ' ' MET . 16.1 mt-30 -80.14 -34.55 37.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.37 -0.831 . . . . 0.0 109.256 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -95.34 24.65 4.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.441 -0.787 . . . . 0.0 109.624 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.859 HD23 ' HE1' ' B' ' 33' ' ' MET . 4.1 mp 55.11 30.47 14.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.453 -0.78 . . . . 0.0 110.767 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . 6.1 mm-40 -110.03 20.63 17.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.158 -0.963 . . . . 0.0 109.834 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.993 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.6 p90 -61.26 -8.82 4.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.567 -0.708 . . . . 0.0 112.029 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -48.93 -68.44 0.18 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.579 -1.326 . . . . 0.0 109.373 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -81.4 -19.21 43.09 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.551 -0.718 . . . . 0.0 109.65 178.28 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.993 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -77.05 -51.47 11.01 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.358 -0.839 . . . . 0.0 111.593 -179.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.732 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -51.39 -23.47 3.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.977 -1.077 . . . . 0.0 110.531 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -54.79 -32.4 60.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.035 -1.04 . . . . 0.0 109.593 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.496 HD11 HD23 ' A' ' 32' ' ' LEU . 36.4 mt -54.18 -28.4 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.339 -0.851 . . . . 0.0 109.335 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -48.72 -33.98 11.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.465 -0.772 . . . . 0.0 109.733 179.267 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -71.87 -37.46 70.19 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.35 -0.844 . . . . 0.0 109.788 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.654 ' O ' HD12 ' A' ' 55' ' ' LEU . 20.1 mt-30 -80.15 -34.93 37.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.847 . . . . 0.0 109.987 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.678 HD21 ' N ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -66.75 -36.88 83.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.275 -0.891 . . . . 0.0 110.185 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -77.1 -44.64 29.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.888 . . . . 0.0 110.2 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.15 -44.55 91.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.212 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 51' ' ' GLN . 15.8 mt -65.39 -24.19 67.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.178 -0.952 . . . . 0.0 110.166 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -61.31 -62.03 2.12 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.225 -0.922 . . . . 0.0 110.15 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -54.41 -37.91 65.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.0 110.146 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 55' ' ' LEU . 43.4 mt -64.7 -19.85 65.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.783 ' HA ' HD21 ' A' ' 22' ' ' LEU . 44.4 t80 -51.21 -45.0 61.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -76.92 -49.11 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.218 -0.926 . . . . 0.0 110.155 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.79 -24.46 15.4 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.226 -0.921 . . . . 0.0 110.163 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 110.205 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.579 ' HG3' HD23 ' B' ' 22' ' ' LEU . 43.8 Cg_endo . . . . . 0 N--CA 1.487 1.131 0 CA-C-O 121.013 0.339 . . . . 0.0 111.514 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? 63.73 -70.38 0.07 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.394 -0.816 . . . . 0.0 110.961 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -52.04 -60.26 3.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.908 -1.12 . . . . 0.0 109.934 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.988 HD11 HD11 ' B' ' 26' ' ' ILE . 4.1 tp -56.74 -61.37 2.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.395 -0.815 . . . . 0.0 109.222 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -49.59 -34.02 16.71 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.396 -0.815 . . . . 0.0 110.382 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -72.4 -36.53 68.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.272 -0.893 . . . . 0.0 110.048 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -45.4 61.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.238 -0.913 . . . . 0.0 110.136 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.988 HD11 HD11 ' B' ' 22' ' ' LEU . 71.5 mt -54.75 -54.95 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.376 -0.828 . . . . 0.0 110.117 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.64 -22.3 63.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.895 . . . . 0.0 110.275 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -43.67 20.81 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.275 -0.891 . . . . 0.0 110.345 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.471 ' CB ' ' CD2' ' B' ' 52' ' ' LEU . 14.6 mt -71.01 -43.29 68.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.223 -0.923 . . . . 0.0 110.451 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.681 ' N ' HD21 ' B' ' 52' ' ' LEU . 0.5 OUTLIER -61.27 -43.23 99.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 0.0 110.263 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.83 -22.31 70.09 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.489 HD23 HD11 ' B' ' 48' ' ' ILE . 8.9 tp -73.66 -40.13 63.94 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.227 -1.161 . . . . 0.0 110.307 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.859 ' HE1' HD23 ' A' ' 40' ' ' LEU . 9.9 mtp -52.77 -51.66 59.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.215 -0.928 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . 0.541 ' HE1' ' HA ' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -49.22 -45.43 44.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.327 -0.858 . . . . 0.0 110.632 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -75.01 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.269 -0.894 . . . . 0.0 110.468 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.533 ' ND1' ' HB2' ' B' ' 45' ' ' ALA . 2.3 m170 -54.77 -54.85 36.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.746 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.08 -30.86 2.99 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.261 -0.9 . . . . 0.0 110.139 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.468 ' HA ' ' HE1' ' A' ' 34' ' ' MET . 16.2 mt-30 -79.85 -34.61 39.18 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 109.204 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -95.26 24.72 4.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.478 -0.764 . . . . 0.0 109.651 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.661 HD23 ' HE1' ' A' ' 33' ' ' MET . 4.1 mp 55.04 30.31 13.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.514 -0.741 . . . . 0.0 110.803 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' B' ' 36' ' ' HIS . 6.0 mm-40 -109.89 20.73 17.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.179 -0.951 . . . . 0.0 109.824 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.974 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 5.8 p90 -61.38 -8.6 4.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.541 -0.724 . . . . 0.0 112.022 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -49.02 -68.43 0.18 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.537 -1.352 . . . . 0.0 109.443 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 0.3 OUTLIER -81.53 -19.23 42.57 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.581 -0.699 . . . . 0.0 109.608 178.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.974 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -76.89 -51.54 11.06 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.339 -0.851 . . . . 0.0 111.533 -179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.718 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -50.96 -23.9 3.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.089 -1.007 . . . . 0.0 110.579 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -54.71 -32.55 59.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.119 -0.988 . . . . 0.0 109.61 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.489 HD11 HD23 ' B' ' 32' ' ' LEU . 36.2 mt -54.09 -28.43 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.367 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -48.68 -34.01 11.09 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.507 -0.746 . . . . 0.0 109.777 179.272 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -71.85 -37.44 70.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.3 -0.875 . . . . 0.0 109.801 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.654 ' O ' HD12 ' B' ' 55' ' ' LEU . 20.2 mt-30 -80.16 -34.83 37.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.28 -0.888 . . . . 0.0 110.004 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.681 HD21 ' N ' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -66.8 -36.9 83.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.181 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -77.11 -44.53 30.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.247 -0.908 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -64.21 -44.48 91.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.248 -0.908 . . . . 0.0 110.272 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.654 HD12 ' O ' ' B' ' 51' ' ' GLN . 15.7 mt -65.41 -24.21 67.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.192 -0.943 . . . . 0.0 110.206 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -61.25 -62.15 2.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.93 . . . . 0.0 110.196 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -54.33 -37.94 65.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.272 -0.893 . . . . 0.0 110.151 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' B' ' 55' ' ' LEU . 43.4 mt -64.64 -19.87 65.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . 0.777 ' HA ' HD21 ' B' ' 22' ' ' LEU . 44.3 t80 -51.27 -44.93 61.93 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.139 -0.976 . . . . 0.0 110.421 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.6 mt -76.93 -49.13 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.279 -0.888 . . . . 0.0 110.153 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.81 -24.48 15.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.895 . . . . 0.0 110.124 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.62 -74.64 0.38 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.312 -0.868 . . . . 0.0 110.166 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.2 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HG2' HD13 ' A' ' 22' ' ' LEU . 45.5 Cg_endo . . . . . 0 C--O 1.214 -0.721 0 CA-C-O 120.974 0.323 . . . . 0.0 111.659 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.18 -67.55 0.11 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.303 -0.873 . . . . 0.0 111.573 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.89 -45.61 15.34 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.171 -0.955 . . . . 0.0 111.009 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 22' ' ' LEU . 9.3 mp -80.51 -47.47 14.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.193 -0.942 . . . . 0.0 109.499 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -52.47 -54.93 25.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.697 -0.627 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -62.53 -46.77 86.86 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 0.0 110.198 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -58.21 -51.69 68.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 110.304 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.42 -58.23 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.25 -0.906 . . . . 0.0 110.182 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -60.7 -28.01 68.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.174 -0.954 . . . . 0.0 110.331 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -80.06 -40.61 27.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.231 -0.918 . . . . 0.0 110.418 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.643 ' O ' HG21 ' A' ' 48' ' ' ILE . 40.0 mt -72.93 -36.7 67.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.223 -0.923 . . . . 0.0 110.327 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.434 ' N ' HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -68.04 -46.58 70.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.187 -0.946 . . . . 0.0 110.126 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.43 -34.75 64.05 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.613 HD12 ' CD ' ' A' ' 35' ' ' GLN . 22.2 tp -67.93 -37.58 81.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.199 -1.177 . . . . 0.0 110.031 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.531 ' HA ' ' HB1' ' A' ' 45' ' ' ALA . 2.5 ttp -67.21 -23.5 65.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.833 . . . . 0.0 110.219 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.09 -58.09 3.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.35 -0.844 . . . . 0.0 110.536 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.613 ' CD ' HD12 ' A' ' 32' ' ' LEU . 8.0 pt20 -49.73 -33.64 16.71 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.109 -0.994 . . . . 0.0 110.391 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.562 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 33.8 m-70 -80.09 -57.1 3.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.266 -0.896 . . . . 0.0 110.1 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.584 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -48.85 -27.34 2.97 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.262 -0.898 . . . . 0.0 110.031 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -78.23 -39.39 40.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 0.0 109.419 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.54 28.96 2.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.41 -0.806 . . . . 0.0 109.567 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp 55.09 27.37 9.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.6 -0.688 . . . . 0.0 110.595 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -101.55 15.04 30.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.227 -0.92 . . . . 0.0 109.982 179.363 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.032 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.1 p90 -58.79 -13.73 6.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 111.258 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -49.32 -62.92 1.28 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.571 -1.331 . . . . 0.0 109.557 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 3.9 pt-20 -82.78 -19.84 37.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.994 -1.066 . . . . 0.0 109.601 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 1.032 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -79.03 -58.72 3.1 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 111.494 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.677 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -42.45 -28.46 0.21 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.483 -0.761 . . . . 0.0 111.147 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.74 -31.19 70.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.002 -1.061 . . . . 0.0 109.701 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.891 HG22 HD23 ' A' ' 52' ' ' LEU . 95.8 mt -53.69 -32.27 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.173 -0.954 . . . . 0.0 109.365 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -34.13 5.18 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.722 -0.611 . . . . 0.0 109.697 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.05 -39.41 86.9 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.348 -0.845 . . . . 0.0 109.146 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.843 ' O ' HD12 ' A' ' 55' ' ' LEU . 20.6 mt-30 -80.15 -33.61 38.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.426 -0.797 . . . . 0.0 109.537 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.891 HD23 HG22 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -67.33 -37.08 82.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.376 -0.828 . . . . 0.0 109.907 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -78.07 -48.86 15.13 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.325 -0.859 . . . . 0.0 110.129 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.08 -35.95 72.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.233 -0.917 . . . . 0.0 110.1 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.843 HD12 ' O ' ' A' ' 51' ' ' GLN . 4.5 mt -70.04 -27.12 64.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.293 -0.879 . . . . 0.0 110.087 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -53.92 44.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 110.092 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.34 -30.49 68.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.288 -0.883 . . . . 0.0 110.1 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 58' ' ' LEU . 26.2 mt -69.43 -20.01 63.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.219 -0.926 . . . . 0.0 110.257 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -52.18 -29.24 21.4 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.184 -0.948 . . . . 0.0 110.332 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.0 mm -75.75 -39.64 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 0.0 110.162 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -25.45 64.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 110.21 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.335 -0.853 . . . . 0.0 110.199 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.447 ' HG2' ' HB2' ' B' ' 22' ' ' LEU . 46.8 Cg_endo . . . . . 0 C--O 1.214 -0.716 0 CA-C-O 121.0 0.334 . . . . 0.0 111.697 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.21 -67.55 0.11 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.272 -0.892 . . . . 0.0 111.536 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.92 -45.62 15.52 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.233 -0.917 . . . . 0.0 110.999 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.662 HD12 ' N ' ' B' ' 22' ' ' LEU . 9.3 mp -80.55 -47.4 14.25 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.307 -0.87 . . . . 0.0 109.514 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -52.54 -54.96 25.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.674 -0.641 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -62.54 -46.73 87.06 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -58.11 -51.72 68.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 110.308 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.48 -58.19 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.908 . . . . 0.0 110.22 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -60.74 -27.83 68.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.323 -0.861 . . . . 0.0 110.323 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -80.15 -40.79 26.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.28 -0.887 . . . . 0.0 110.313 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.653 ' O ' HG21 ' B' ' 48' ' ' ILE . 39.9 mt -72.83 -36.63 67.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.26 -0.9 . . . . 0.0 110.371 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.434 ' N ' HD21 ' B' ' 52' ' ' LEU . 0.1 OUTLIER -68.07 -46.67 70.4 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.292 -0.88 . . . . 0.0 110.087 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.32 -34.75 63.59 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.623 HD12 ' CD ' ' B' ' 35' ' ' GLN . 22.2 tp -67.92 -37.61 81.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.245 -1.15 . . . . 0.0 110.058 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.533 ' HA ' ' HB1' ' B' ' 45' ' ' ALA . 2.5 ttp -67.14 -23.57 65.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.385 -0.822 . . . . 0.0 110.212 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.09 -57.92 3.4 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.619 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.623 ' CD ' HD12 ' B' ' 32' ' ' LEU . 8.0 pt20 -49.86 -33.54 17.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.185 -0.947 . . . . 0.0 110.418 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.57 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 33.8 m-70 -80.2 -56.98 3.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 110.058 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.584 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -49.0 -27.35 3.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.237 -0.914 . . . . 0.0 109.992 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -78.19 -39.37 40.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.413 -0.804 . . . . 0.0 109.499 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -95.51 28.84 2.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.488 -0.757 . . . . 0.0 109.553 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp 55.1 27.54 9.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.496 -0.752 . . . . 0.0 110.556 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' B' ' 36' ' ' HIS . 0.0 OUTLIER -101.66 15.01 30.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.237 -0.914 . . . . 0.0 109.993 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 1.032 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 5.1 p90 -58.81 -13.65 6.74 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 0.0 111.303 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -49.46 -62.84 1.33 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.601 -1.312 . . . . 0.0 109.508 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 3.9 pt-20 -82.8 -19.83 36.94 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.049 -1.032 . . . . 0.0 109.642 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 1.032 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -79.07 -58.69 3.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.506 -0.746 . . . . 0.0 111.517 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.675 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -42.49 -28.41 0.21 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.471 -0.768 . . . . 0.0 111.18 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.69 -31.21 70.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.071 -1.018 . . . . 0.0 109.686 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.867 HG22 HD23 ' B' ' 52' ' ' LEU . 95.8 mt -53.63 -32.37 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 0.0 109.401 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -46.84 -34.18 5.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.674 -0.641 . . . . 0.0 109.702 179.043 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.0 -39.46 87.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.339 -0.851 . . . . 0.0 109.082 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.856 ' O ' HD12 ' B' ' 55' ' ' LEU . 20.6 mt-30 -80.19 -33.65 38.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.454 -0.779 . . . . 0.0 109.471 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.867 HD23 HG22 ' B' ' 48' ' ' ILE . 0.5 OUTLIER -67.3 -37.08 82.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.475 -0.766 . . . . 0.0 109.9 179.694 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -78.04 -49.02 14.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.38 -0.825 . . . . 0.0 110.074 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.93 -36.03 71.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.239 -0.913 . . . . 0.0 110.053 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.856 HD12 ' O ' ' B' ' 51' ' ' GLN . 4.5 mt -69.98 -27.16 64.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 0.0 110.131 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -53.98 43.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.29 -0.882 . . . . 0.0 110.158 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.24 -30.63 68.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -0.878 . . . . 0.0 110.044 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' B' ' 58' ' ' LEU . 26.4 mt -69.32 -20.0 63.88 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.278 -0.889 . . . . 0.0 110.261 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -52.15 -29.35 21.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.113 -0.992 . . . . 0.0 110.237 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 48.9 mm -75.69 -39.61 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.243 -0.91 . . . . 0.0 110.223 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.38 -25.45 64.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.279 -0.888 . . . . 0.0 110.132 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.54 -67.84 0.83 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.242 -0.911 . . . . 0.0 110.206 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.183 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.539 ' HG2' HD13 ' A' ' 22' ' ' LEU . 47.6 Cg_endo . . . . . 0 N--CA 1.483 0.907 0 N-CA-C 111.1 -0.385 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 61.49 -69.44 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.695 -0.628 . . . . 0.0 111.218 179.054 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -44.86 -48.11 11.12 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.287 -0.883 . . . . 0.0 110.709 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.704 ' N ' HD12 ' A' ' 22' ' ' LEU . 7.3 mp -80.59 -30.45 36.9 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.302 -0.874 . . . . 0.0 108.9 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -57.0 -46.57 82.18 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.097 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -39.06 63.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.927 . . . . 0.0 110.105 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -48.52 74.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 0.0 110.137 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.568 HG23 HD13 ' A' ' 52' ' ' LEU . 76.7 mt -63.15 -45.81 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.354 -0.841 . . . . 0.0 110.067 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -67.32 -21.71 65.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 0.0 110.162 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -47.47 44.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 0.0 110.26 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.44 ' CB ' HD21 ' A' ' 52' ' ' LEU . 44.1 mt -71.72 -41.0 69.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.23 -0.919 . . . . 0.0 110.192 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.19 -47.64 74.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.34 -0.85 . . . . 0.0 110.101 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.31 -24.43 55.59 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 32' ' ' LEU . 10.2 tp -71.2 -35.98 71.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.266 -1.138 . . . . 0.0 110.121 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.921 ' HE1' HD23 ' B' ' 40' ' ' LEU . 5.2 mtp -63.53 -51.38 65.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.175 -0.953 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.2 mtp -50.01 -51.03 45.07 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.346 -0.847 . . . . 0.0 110.693 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.0 -78.44 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.152 -0.967 . . . . 0.0 110.538 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.469 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 69.0 m-70 -50.29 -54.39 21.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.243 -0.911 . . . . 0.0 110.532 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.428 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -46.66 -33.59 4.37 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.349 -0.845 . . . . 0.0 110.274 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -80.12 -33.7 38.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.384 -0.822 . . . . 0.0 109.483 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -94.64 24.71 4.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.462 -0.774 . . . . 0.0 109.694 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.905 HD23 ' HE1' ' B' ' 33' ' ' MET . 2.3 mp 55.31 40.47 31.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.518 -0.738 . . . . 0.0 110.72 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . 6.7 mm-40 -120.07 17.31 12.46 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.238 -0.914 . . . . 0.0 109.8 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.01 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.4 p90 -59.95 -9.92 3.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.492 -0.755 . . . . 0.0 111.93 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -50.51 -65.86 0.49 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.476 -1.39 . . . . 0.0 109.156 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -81.84 -18.63 43.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.449 -0.782 . . . . 0.0 109.841 178.207 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 1.01 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -80.9 -46.0 15.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.149 -0.969 . . . . 0.0 112.093 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.694 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -54.11 -38.11 65.04 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.065 -1.022 . . . . 0.0 111.825 -178.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -51.45 -24.42 4.99 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.675 -1.266 . . . . 0.0 109.809 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.58 HG22 HD23 ' A' ' 52' ' ' LEU . 35.7 mm -55.58 -30.7 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.301 -0.874 . . . . 0.0 109.21 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -52.09 -28.69 18.51 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -0.826 . . . . 0.0 109.407 179.179 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -44.58 75.67 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.543 ' O ' HD13 ' A' ' 55' ' ' LEU . 31.6 mt-30 -67.86 -31.21 70.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.367 -0.833 . . . . 0.0 109.372 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.58 HD23 HG22 ' A' ' 48' ' ' ILE . 1.6 mm? -68.08 -43.23 79.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.369 -0.832 . . . . 0.0 109.842 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -78.27 -34.89 48.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.331 -0.856 . . . . 0.0 110.028 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HA ' ' OE2' ' A' ' 57' ' ' GLU . 29.5 tt0 -64.64 -41.13 96.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.316 -0.865 . . . . 0.0 110.032 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 51' ' ' GLN . 2.4 mp -64.27 -19.92 65.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.922 . . . . 0.0 110.092 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -56.61 -59.7 4.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.919 . . . . 0.0 110.461 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' OE2' ' HA ' ' A' ' 54' ' ' GLN . 1.2 pt-20 -60.26 -23.52 64.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.199 -0.938 . . . . 0.0 110.235 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -19.95 50.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 110.229 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -50.98 -46.43 61.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.17 -0.956 . . . . 0.0 110.397 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.9 -40.16 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.25 -0.906 . . . . 0.0 110.057 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.22 -21.56 66.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.839 . . . . 0.0 110.148 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.254 -0.904 . . . . 0.0 110.193 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.551 ' HG2' HD13 ' B' ' 22' ' ' LEU . 48.0 Cg_endo . . . . . 0 N--CA 1.483 0.859 0 N-CA-C 111.136 -0.371 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 61.44 -69.42 0.05 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 O-C-N 121.735 -0.603 . . . . 0.0 111.245 179.082 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -44.83 -48.17 11.03 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.365 -0.834 . . . . 0.0 110.702 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.706 HD12 ' N ' ' B' ' 22' ' ' LEU . 7.3 mp -80.53 -30.46 37.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.234 -0.916 . . . . 0.0 108.948 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -56.99 -46.47 82.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.62 -0.675 . . . . 0.0 110.157 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -39.08 63.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.132 -0.98 . . . . 0.0 110.104 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -48.61 73.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.266 -0.896 . . . . 0.0 110.177 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.582 HG23 HD13 ' B' ' 52' ' ' LEU . 77.2 mt -63.12 -45.72 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 110.179 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -67.33 -21.69 65.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.263 -0.898 . . . . 0.0 110.222 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.95 -47.57 44.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.915 . . . . 0.0 110.207 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.426 ' CB ' HD21 ' B' ' 52' ' ' LEU . 44.3 mt -71.69 -40.95 69.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.251 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.18 -47.58 75.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 110.175 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.37 -24.5 55.97 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 tp -71.12 -35.92 71.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -1.154 . . . . 0.0 110.181 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.905 ' HE1' HD23 ' A' ' 40' ' ' LEU . 5.0 mtp -63.59 -51.46 65.23 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 3.2 mtp -49.99 -50.94 45.41 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.274 -0.891 . . . . 0.0 110.696 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -78.49 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.199 -0.938 . . . . 0.0 110.504 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.47 ' HB2' ' CB ' ' B' ' 45' ' ' ALA . 69.1 m-70 -50.28 -54.3 22.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.248 -0.907 . . . . 0.0 110.613 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.428 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -46.71 -33.57 4.42 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.404 -0.81 . . . . 0.0 110.304 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -80.11 -33.64 38.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -0.894 . . . . 0.0 109.509 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -94.69 24.7 4.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.383 -0.823 . . . . 0.0 109.589 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.921 HD23 ' HE1' ' A' ' 33' ' ' MET . 2.3 mp 55.37 40.31 31.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.484 -0.76 . . . . 0.0 110.742 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' B' ' 36' ' ' HIS . 6.7 mm-40 -120.03 17.51 12.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.25 -0.906 . . . . 0.0 109.815 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 1.009 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 5.4 p90 -60.01 -9.97 3.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.467 -0.771 . . . . 0.0 111.912 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -50.57 -65.78 0.5 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.449 -1.407 . . . . 0.0 109.144 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER -81.95 -18.58 43.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.757 . . . . 0.0 109.833 178.236 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 1.009 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -80.97 -45.94 15.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.143 -0.973 . . . . 0.0 112.128 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.698 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -54.07 -38.09 64.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.167 -0.958 . . . . 0.0 111.852 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' B' ' 44' ' ' GLU . 0.0 OUTLIER -51.44 -24.48 5.03 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.654 -1.279 . . . . 0.0 109.766 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.58 HG22 HD23 ' B' ' 52' ' ' LEU . 35.8 mm -55.53 -30.7 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.324 -0.86 . . . . 0.0 109.141 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.1 OUTLIER -52.01 -28.87 18.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.345 -0.847 . . . . 0.0 109.42 179.147 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -44.52 75.96 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.548 ' O ' HD13 ' B' ' 55' ' ' LEU . 31.6 mt-30 -67.93 -31.27 70.91 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.389 -0.819 . . . . 0.0 109.312 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.582 HD13 HG23 ' B' ' 26' ' ' ILE . 1.6 mm? -67.95 -43.3 79.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.78 . . . . 0.0 109.897 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -78.19 -34.94 49.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.884 . . . . 0.0 110.113 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.418 ' HA ' ' OE2' ' B' ' 57' ' ' GLU . 29.5 tt0 -64.66 -41.1 96.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.215 -0.928 . . . . 0.0 110.069 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.548 HD13 ' O ' ' B' ' 51' ' ' GLN . 2.4 mp -64.2 -19.88 65.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.227 -0.92 . . . . 0.0 110.178 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -56.7 -59.54 4.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.254 -0.904 . . . . 0.0 110.495 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.418 ' OE2' ' HA ' ' B' ' 54' ' ' GLN . 1.2 pt-20 -60.43 -23.44 64.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.121 -0.987 . . . . 0.0 110.28 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -19.92 50.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.231 -0.918 . . . . 0.0 110.283 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -51.03 -46.26 61.55 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.193 -0.942 . . . . 0.0 110.449 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.97 -40.17 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 0.0 110.11 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.53 66.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.882 . . . . 0.0 110.186 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.75 -64.46 1.04 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 110.209 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.21 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HG2' HD13 ' A' ' 22' ' ' LEU . 47.5 Cg_endo . . . . . 0 C--O 1.214 -0.709 0 CA-C-O 120.939 0.308 . . . . 0.0 111.654 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.65 -67.43 0.12 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.245 -0.909 . . . . 0.0 111.444 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.49 -46.2 18.87 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.113 -0.992 . . . . 0.0 110.9 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.653 ' N ' HD12 ' A' ' 22' ' ' LEU . 9.9 mp -80.55 -43.18 21.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.228 -0.92 . . . . 0.0 109.368 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -51.68 -53.12 42.46 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.723 -0.61 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -71.05 -33.35 70.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.229 -0.919 . . . . 0.0 110.138 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -51.58 43.91 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.231 -0.918 . . . . 0.0 110.153 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.636 HG23 HD13 ' A' ' 52' ' ' LEU . 95.3 mt -59.71 -50.96 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.0 110.181 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -62.4 -33.36 74.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.339 -0.851 . . . . 0.0 110.254 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -80.03 -40.33 28.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.305 -0.872 . . . . 0.0 110.301 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 mt -71.08 -34.69 71.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 110.375 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.443 ' N ' HD21 ' A' ' 52' ' ' LEU . 1.7 tt0 -61.46 -41.58 97.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.212 -0.93 . . . . 0.0 110.315 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.06 -22.93 62.39 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.34 -22.02 66.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.277 -1.131 . . . . 0.0 110.333 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 1.025 ' CE ' HD21 ' B' ' 40' ' ' LEU . 3.3 mtp -65.46 -56.58 11.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.0 110.345 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -34.72 41.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.225 -0.922 . . . . 0.0 110.212 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -74.92 0.07 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.345 -0.847 . . . . 0.0 110.199 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.833 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 82.4 m-70 -51.71 -45.93 63.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 0.0 110.361 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.55 -39.0 64.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.047 -1.033 . . . . 0.0 109.131 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -66.75 -34.0 76.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.384 -0.823 . . . . 0.0 109.269 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -85.33 7.23 23.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.504 -0.748 . . . . 0.0 109.635 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.023 HD21 ' CE ' ' B' ' 33' ' ' MET . 0.3 OUTLIER 64.85 17.7 11.13 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.324 -0.86 . . . . 0.0 111.222 179.707 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' GLU . 15.6 mm-40 -65.14 -51.03 63.65 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.848 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 1.5 m-85 62.21 -57.14 0.13 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' GLU . 33.0 tt0 -46.76 -60.4 2.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.974 -1.079 . . . . 0.0 109.715 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 16.3 pt-20 -81.13 -19.08 44.29 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.525 -0.734 . . . . 0.0 110.294 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.833 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -81.0 -51.03 8.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.055 -1.028 . . . . 0.0 111.695 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.833 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -80.35 -19.46 46.37 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.269 -0.894 . . . . 0.0 111.134 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -70.1 -20.54 63.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.819 -1.176 . . . . 0.0 109.974 179.435 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.403 ' HB ' ' HG3' ' A' ' 33' ' ' MET . 84.3 mt -68.06 -27.58 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.265 -0.897 . . . . 0.0 110.628 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -53.39 -27.0 21.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.059 -1.026 . . . . 0.0 110.143 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.77 -36.54 36.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 0.0 109.988 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.725 ' O ' HD12 ' A' ' 55' ' ' LEU . 30.4 mt-30 -74.2 -32.67 63.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.871 . . . . 0.0 110.005 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.636 HD13 HG23 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -69.03 -51.07 42.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.277 -0.89 . . . . 0.0 110.033 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -68.22 -37.56 80.98 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.308 -0.87 . . . . 0.0 110.042 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -70.5 -41.98 71.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.277 -0.889 . . . . 0.0 110.109 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 51' ' ' GLN . 6.2 mt -56.73 -31.22 64.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.282 -0.886 . . . . 0.0 110.097 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -53.57 56.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -0.891 . . . . 0.0 110.161 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.82 -44.46 77.92 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.202 -0.936 . . . . 0.0 110.059 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 58' ' ' LEU . 55.3 mt -58.06 -23.95 56.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.365 -0.834 . . . . 0.0 110.274 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -53.21 -38.6 63.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.162 -0.961 . . . . 0.0 110.215 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.9 mm -78.13 -36.7 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.162 -0.961 . . . . 0.0 110.158 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.27 66.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.901 . . . . 0.0 110.25 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 110.227 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.465 ' HG2' HD13 ' B' ' 22' ' ' LEU . 47.5 Cg_endo . . . . . 0 C--O 1.215 -0.668 0 CA-C-O 120.946 0.311 . . . . 0.0 111.592 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.71 -67.34 0.12 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.211 -0.93 . . . . 0.0 111.412 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.63 -46.08 19.53 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.197 -0.939 . . . . 0.0 110.922 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.652 HD12 ' N ' ' B' ' 22' ' ' LEU . 10.0 mp -80.67 -43.19 20.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.906 . . . . 0.0 109.294 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -51.66 -53.1 42.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.682 -0.636 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -70.96 -33.47 70.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.234 -0.917 . . . . 0.0 110.133 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -51.53 44.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.293 -0.88 . . . . 0.0 110.141 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.654 HG23 HD13 ' B' ' 52' ' ' LEU . 95.3 mt -59.67 -51.08 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.887 . . . . 0.0 110.199 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -62.31 -33.34 74.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.311 -0.868 . . . . 0.0 110.228 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -80.05 -40.31 28.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.228 -0.92 . . . . 0.0 110.336 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 38.3 mt -71.12 -34.75 71.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.206 -0.934 . . . . 0.0 110.314 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.459 ' N ' HD21 ' B' ' 52' ' ' LEU . 1.7 tt0 -61.47 -41.53 97.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.23 -0.919 . . . . 0.0 110.323 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.05 -22.97 62.33 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.29 -22.1 66.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.142 -1.211 . . . . 0.0 110.355 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 1.023 ' CE ' HD21 ' A' ' 40' ' ' LEU . 3.3 mtp -65.36 -56.63 11.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.212 -0.93 . . . . 0.0 110.306 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -34.71 41.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -74.93 0.07 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.334 -0.854 . . . . 0.0 110.174 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.832 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 82.4 m-70 -51.73 -45.9 63.81 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.157 -0.965 . . . . 0.0 110.366 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.53 -39.04 64.36 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.1 -1.0 . . . . 0.0 109.146 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -66.74 -34.01 76.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.46 -0.775 . . . . 0.0 109.278 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -85.34 7.32 22.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.427 -0.796 . . . . 0.0 109.697 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 1.025 HD21 ' CE ' ' A' ' 33' ' ' MET . 0.3 OUTLIER 64.85 17.71 11.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.307 -0.87 . . . . 0.0 111.219 179.644 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 43' ' ' GLU . 15.6 mm-40 -65.09 -51.06 63.57 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.833 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 1.5 m-85 62.02 -57.02 0.13 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 178.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 41' ' ' GLU . 33.0 tt0 -46.76 -60.44 2.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.997 -1.064 . . . . 0.0 109.745 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.465 ' OE1' ' CE1' ' B' ' 36' ' ' HIS . 16.3 pt-20 -81.09 -19.03 44.54 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.606 -0.684 . . . . 0.0 110.354 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.832 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.99 -51.09 8.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.031 -1.043 . . . . 0.0 111.645 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.848 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -80.38 -19.45 46.31 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.197 -0.939 . . . . 0.0 111.093 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.4 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -70.1 -20.56 63.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.885 -1.135 . . . . 0.0 109.972 179.439 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.405 ' HB ' ' HG3' ' B' ' 33' ' ' MET . 83.9 mt -68.1 -27.56 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.254 -0.904 . . . . 0.0 110.652 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 1.0 OUTLIER -53.3 -27.05 21.01 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.051 -1.031 . . . . 0.0 110.229 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -36.49 37.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 0.0 109.949 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.732 ' O ' HD12 ' B' ' 55' ' ' LEU . 30.5 mt-30 -74.32 -32.62 62.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 109.985 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.654 HD13 HG23 ' B' ' 26' ' ' ILE . 0.3 OUTLIER -69.05 -51.03 43.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.361 -0.837 . . . . 0.0 110.072 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -68.19 -37.55 81.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 0.0 110.079 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -70.45 -42.11 71.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.0 110.127 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.732 HD12 ' O ' ' B' ' 51' ' ' GLN . 6.2 mt -56.57 -31.25 64.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 0.0 110.205 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' B' ' 59' ' ' PHE . 0.1 OUTLIER -56.48 -53.74 53.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.314 -0.866 . . . . 0.0 110.065 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -55.8 -44.44 77.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.913 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' B' ' 58' ' ' LEU . 54.8 mt -58.12 -23.83 56.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -0.91 . . . . 0.0 110.232 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' B' ' 56' ' ' ARG . 50.3 t80 -53.31 -38.58 63.29 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.249 -0.907 . . . . 0.0 110.203 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.404 HD12 HG23 ' B' ' 60' ' ' ILE . 41.8 mm -78.01 -36.8 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.224 -0.922 . . . . 0.0 110.17 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.26 66.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.225 -0.922 . . . . 0.0 110.217 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.16 -65.96 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.305 -0.872 . . . . 0.0 110.186 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.209 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' ALA . 49.8 Cg_endo . . . . . 0 C--O 1.213 -0.736 0 CA-C-O 120.822 0.259 . . . . 0.0 111.548 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER 66.39 -63.02 0.26 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.307 -0.87 . . . . 0.0 110.911 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.19 -46.97 24.25 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.157 -0.964 . . . . 0.0 110.356 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.875 HD11 HD11 ' A' ' 26' ' ' ILE . 4.3 tp -77.08 -60.28 2.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.351 -0.843 . . . . 0.0 109.37 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -47.0 -33.95 5.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.466 -0.772 . . . . 0.0 110.504 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -73.27 -36.12 66.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 109.977 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -46.8 61.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 110.111 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.875 HD11 HD11 ' A' ' 22' ' ' LEU . 58.8 mt -56.44 -55.39 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.301 -0.874 . . . . 0.0 110.136 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -55.74 -28.84 57.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.279 -0.888 . . . . 0.0 110.204 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.41 -40.97 41.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 110.189 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.578 ' HB2' HD21 ' A' ' 52' ' ' LEU . 86.8 mt -77.41 -42.22 37.04 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 110.212 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -37.56 84.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.221 -0.924 . . . . 0.0 110.133 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.76 -25.08 76.34 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HB3' HD13 ' A' ' 48' ' ' ILE . 7.7 tp -71.36 -40.63 70.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.254 -1.145 . . . . 0.0 110.103 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.643 ' HE1' HD23 ' B' ' 40' ' ' LEU . 11.8 mtp -53.96 -49.62 68.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.197 -0.94 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' B' ' 38' ' ' GLN . 4.1 mtp -51.92 -44.25 63.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.296 -0.877 . . . . 0.0 110.466 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.148 -0.97 . . . . 0.0 110.501 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.643 ' ND1' ' HB2' ' A' ' 45' ' ' ALA . 4.6 m170 -54.07 -50.62 66.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.909 . . . . 0.0 110.394 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -47.23 -33.56 5.56 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.439 -0.788 . . . . 0.0 110.205 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -79.1 -34.06 43.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 109.443 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.674 ' C ' HD12 ' A' ' 40' ' ' LEU . 55.0 m-20 -94.33 23.45 5.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.46 -0.775 . . . . 0.0 109.742 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.705 ' N ' HD12 ' A' ' 40' ' ' LEU . 5.0 mp 55.76 27.81 11.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.514 -0.741 . . . . 0.0 110.734 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . 28.7 mm-40 -106.34 18.11 22.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.305 -0.872 . . . . 0.0 109.887 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.03 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.0 p90 -60.52 -8.89 3.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.424 -0.798 . . . . 0.0 111.969 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -49.81 -67.13 0.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.428 -1.42 . . . . 0.0 109.316 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 3.2 pt-20 -81.9 -19.57 40.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.549 -0.719 . . . . 0.0 109.733 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 1.03 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -77.63 -48.98 15.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.424 -0.798 . . . . 0.0 111.522 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.69 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -51.62 -23.37 4.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.11 -0.994 . . . . 0.0 110.509 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -52.57 -34.03 48.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.951 -1.093 . . . . 0.0 109.83 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.687 HG22 HD23 ' A' ' 52' ' ' LEU . 70.5 mt -53.11 -27.46 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.358 -0.839 . . . . 0.0 109.204 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -50.89 -34.5 28.49 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.57 -0.706 . . . . 0.0 109.524 179.121 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.28 -33.83 72.05 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.813 . . . . 0.0 109.757 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.444 ' O ' HD12 ' A' ' 55' ' ' LEU . 28.9 mt-30 -79.01 -40.35 31.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.286 -0.884 . . . . 0.0 109.95 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.687 HD23 HG22 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -61.2 -42.36 98.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.273 -0.892 . . . . 0.0 110.21 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.13 -41.23 95.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.217 -0.927 . . . . 0.0 110.297 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -42.62 60.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.235 -0.916 . . . . 0.0 110.31 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.2 OUTLIER -67.11 -22.87 65.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.187 -0.945 . . . . 0.0 110.274 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -71.69 -54.42 10.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.28 -0.888 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 3.4 pt-20 -58.48 -22.48 55.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.27 -0.894 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -71.25 -19.89 62.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.249 -0.907 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.543 ' HA ' HD23 ' A' ' 22' ' ' LEU . 24.9 t80 -51.18 -42.15 60.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.241 -0.912 . . . . 0.0 110.464 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.9 -34.4 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.277 -0.89 . . . . 0.0 110.141 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.48 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -65.62 -22.11 66.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.256 -0.903 . . . . 0.0 110.128 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.195 -0.94 . . . . 0.0 110.179 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' B' ' 21' ' ' ALA . 49.7 Cg_endo . . . . . 0 C--O 1.213 -0.753 0 CA-C-O 120.779 0.241 . . . . 0.0 111.546 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' B' ' 19' ' ' PRO . 0.4 OUTLIER 66.29 -62.96 0.26 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.32 -0.863 . . . . 0.0 110.915 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.16 -47.03 23.91 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.121 -0.987 . . . . 0.0 110.407 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.867 HD11 HD11 ' B' ' 26' ' ' ILE . 4.3 tp -77.07 -60.36 2.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.859 . . . . 0.0 109.358 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -46.9 -33.9 4.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.569 -0.707 . . . . 0.0 110.561 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -73.23 -36.14 66.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.006 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -46.77 61.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.089 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.867 HD11 HD11 ' B' ' 22' ' ' LEU . 59.1 mt -56.38 -55.46 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -0.944 . . . . 0.0 110.104 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -55.73 -28.85 58.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.206 -0.934 . . . . 0.0 110.195 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.38 -40.92 42.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.0 110.218 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.567 ' HB2' HD21 ' B' ' 52' ' ' LEU . 87.1 mt -77.38 -42.4 36.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.19 -0.944 . . . . 0.0 110.175 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -37.47 84.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.261 -0.9 . . . . 0.0 110.145 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.9 -25.14 76.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.528 ' HB3' HD13 ' B' ' 48' ' ' ILE . 7.7 tp -71.21 -40.58 71.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.163 -1.198 . . . . 0.0 110.17 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.64 ' HE1' HD23 ' A' ' 40' ' ' LEU . 11.9 mtp -54.1 -49.65 68.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.905 . . . . 0.0 110.236 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 4.1 mtp -51.68 -44.35 63.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -77.99 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.199 -0.938 . . . . 0.0 110.452 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.65 ' ND1' ' HB2' ' B' ' 45' ' ' ALA . 4.5 m170 -54.11 -50.74 66.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.199 -0.938 . . . . 0.0 110.358 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -47.24 -33.28 5.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.375 -0.828 . . . . 0.0 110.18 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.419 ' O ' ' CE ' ' A' ' 34' ' ' MET . 1.8 mt-30 -79.3 -34.2 42.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.222 -0.924 . . . . 0.0 109.493 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.671 ' C ' HD12 ' B' ' 40' ' ' LEU . 54.8 m-20 -94.22 23.41 5.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.395 -0.815 . . . . 0.0 109.732 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.706 HD12 ' N ' ' B' ' 40' ' ' LEU . 5.0 mp 55.85 27.87 11.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.464 -0.773 . . . . 0.0 110.709 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.427 ' HB2' ' HA ' ' B' ' 36' ' ' HIS . 28.9 mm-40 -106.48 18.09 22.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.197 -0.939 . . . . 0.0 109.94 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 1.024 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 4.7 p90 -60.38 -9.11 3.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.461 -0.774 . . . . 0.0 111.896 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -49.7 -67.17 0.28 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.473 -1.392 . . . . 0.0 109.204 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 3.2 pt-20 -81.87 -19.55 40.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.491 -0.756 . . . . 0.0 109.717 178.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 1.024 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -77.76 -49.29 14.69 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.433 -0.792 . . . . 0.0 111.55 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.707 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -51.44 -23.43 3.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 110.41 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.41 -34.08 46.64 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.98 -1.075 . . . . 0.0 109.778 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.705 HG22 HD23 ' B' ' 52' ' ' LEU . 70.4 mt -53.06 -27.46 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.303 -0.873 . . . . 0.0 109.199 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.1 OUTLIER -50.94 -34.56 29.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.475 -0.765 . . . . 0.0 109.47 179.153 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.19 -33.8 72.17 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.791 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.439 ' O ' HD12 ' B' ' 55' ' ' LEU . 28.9 mt-30 -79.02 -40.38 31.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 0.0 109.93 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.705 HD23 HG22 ' B' ' 48' ' ' ILE . 0.8 OUTLIER -61.32 -42.19 98.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.307 -0.87 . . . . 0.0 110.218 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.24 -41.17 94.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.332 -0.855 . . . . 0.0 110.316 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -42.61 60.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.213 -0.93 . . . . 0.0 110.282 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.439 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.2 OUTLIER -67.14 -22.87 65.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.263 -0.898 . . . . 0.0 110.216 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -71.63 -54.47 10.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.187 -0.946 . . . . 0.0 110.207 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 3.4 pt-20 -58.53 -22.48 55.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.223 -0.923 . . . . 0.0 110.25 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' B' ' 61' ' ' ALA . 0.4 OUTLIER -71.23 -19.9 62.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.299 -0.875 . . . . 0.0 110.329 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . 0.536 ' HA ' HD23 ' B' ' 22' ' ' LEU . 24.7 t80 -51.09 -42.29 60.53 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.123 -0.986 . . . . 0.0 110.43 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.87 -34.38 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.872 . . . . 0.0 110.168 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.492 ' HB3' HD23 ' B' ' 58' ' ' LEU . . . -65.63 -22.09 66.63 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.313 -0.867 . . . . 0.0 110.133 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.26 -58.87 2.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.257 -0.902 . . . . 0.0 110.228 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.194 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.569 ' HG2' HD13 ' A' ' 22' ' ' LEU . 47.7 Cg_endo . . . . . 0 N--CA 1.48 0.707 0 N-CA-C 111.202 -0.345 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.42 -67.01 0.12 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.406 -0.809 . . . . 0.0 111.563 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.39 -45.01 12.37 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.145 -0.972 . . . . 0.0 111.208 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.695 ' N ' HD12 ' A' ' 22' ' ' LEU . 7.5 mp -80.43 -43.39 21.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.174 -0.954 . . . . 0.0 109.878 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -50.47 -42.5 54.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.594 -0.691 . . . . 0.0 110.656 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -80.05 -43.81 21.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.138 -0.976 . . . . 0.0 110.582 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -63.47 -34.78 78.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.231 -0.918 . . . . 0.0 110.494 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.0 mt -75.22 -51.48 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.964 . . . . 0.0 110.459 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -64.16 -23.57 67.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.167 -0.958 . . . . 0.0 110.423 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -80.1 -59.89 2.54 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.222 -0.924 . . . . 0.0 110.445 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.779 ' HB3' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -54.37 -29.92 50.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 110.479 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -56.52 10.42 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.922 . . . . 0.0 110.363 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.71 -22.18 59.22 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.16 -25.13 47.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.162 -1.199 . . . . 0.0 110.382 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.433 ' CE ' HD23 ' B' ' 40' ' ' LEU . 0.5 OUTLIER -63.01 -43.79 97.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.159 -0.963 . . . . 0.0 110.515 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -31.37 39.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.187 -0.946 . . . . 0.0 110.591 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -77.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.211 -0.931 . . . . 0.0 110.677 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.879 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 20.5 m170 -55.07 -50.56 68.83 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 0.0 110.523 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.26 -37.82 17.12 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.209 -0.932 . . . . 0.0 110.042 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -67.75 -33.32 74.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.0 109.391 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -92.12 19.32 6.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.405 -0.809 . . . . 0.0 109.636 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.557 HD23 ' CE ' ' B' ' 33' ' ' MET . 5.7 mp 55.65 23.59 6.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.59 -46.01 70.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.19 -0.944 . . . . 0.0 108.966 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.703 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 2.4 m-85 48.25 -176.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.692 -0.63 . . . . 0.0 111.162 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 29.8 tt0 66.05 -62.71 0.25 Allowed 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.722 0.772 . . . . 0.0 108.957 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' PHE . 18.1 pt-20 -82.37 -33.04 28.93 Favored 'General case' 0 C--N 1.29 -2.004 0 O-C-N 121.789 -0.569 . . . . 0.0 109.834 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.879 ' HB2' ' HB2' ' A' ' 36' ' ' HIS . . . -80.68 -44.9 18.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.35 -0.844 . . . . 0.0 111.26 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.706 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -74.86 -19.63 60.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.169 -0.957 . . . . 0.0 111.07 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 12.2 mm-40 -77.16 -19.92 56.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.987 -1.071 . . . . 0.0 110.238 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.724 HG23 HD23 ' A' ' 29' ' ' LEU . 70.3 mt -70.59 -28.89 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.161 -0.962 . . . . 0.0 110.426 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -53.32 -27.33 22.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.099 -1.001 . . . . 0.0 109.924 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.41 -39.6 46.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -0.842 . . . . 0.0 109.885 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.659 ' O ' HD12 ' A' ' 55' ' ' LEU . 19.4 mt-30 -73.73 -42.78 60.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.359 -0.838 . . . . 0.0 109.977 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.41 -37.8 88.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.357 -0.839 . . . . 0.0 110.104 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -73.95 -34.57 64.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.278 -0.888 . . . . 0.0 110.141 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -80.45 -31.2 37.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.224 -0.923 . . . . 0.0 110.19 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -58.07 -31.38 67.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.3 -0.875 . . . . 0.0 110.742 -179.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -58.45 -22.38 54.36 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.101 -1.0 . . . . 0.0 110.317 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -77.83 -38.26 46.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.261 -0.899 . . . . 0.0 109.972 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 61' ' ' ALA . 1.8 mt -57.02 -19.86 21.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.273 -0.892 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.402 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 46.5 t80 -50.04 -45.21 52.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.169 -0.957 . . . . 0.0 110.412 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mt -74.11 -34.6 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 0.0 110.206 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.421 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -71.58 -21.89 61.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 110.156 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.242 -0.911 . . . . 0.0 110.228 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.58 ' HG2' HD13 ' B' ' 22' ' ' LEU . 48.0 Cg_endo . . . . . 0 C--O 1.214 -0.71 0 CA-C-O 120.988 0.329 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.32 -66.97 0.11 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.424 -0.798 . . . . 0.0 111.593 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.36 -45.01 12.27 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.245 -0.909 . . . . 0.0 111.21 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.677 HD12 ' N ' ' B' ' 22' ' ' LEU . 7.5 mp -80.47 -43.3 21.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.209 -0.932 . . . . 0.0 109.874 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -50.54 -42.45 55.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.51 -0.744 . . . . 0.0 110.676 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -80.15 -43.71 21.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.946 . . . . 0.0 110.571 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -63.36 -34.93 78.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 110.538 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 93.9 mt -75.23 -51.48 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.189 -0.945 . . . . 0.0 110.345 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -64.17 -23.58 67.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.251 -0.905 . . . . 0.0 110.362 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.16 -59.84 2.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.22 -0.925 . . . . 0.0 110.438 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.762 ' HB3' HD23 ' B' ' 52' ' ' LEU . 0.5 OUTLIER -54.29 -30.02 49.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.92 . . . . 0.0 110.437 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -56.59 10.19 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.243 -0.91 . . . . 0.0 110.36 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.74 -22.09 59.17 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.25 -25.11 46.72 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.221 -1.164 . . . . 0.0 110.324 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.557 ' CE ' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.1 -43.73 97.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.263 -0.898 . . . . 0.0 110.527 -179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -31.45 39.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.3 -0.875 . . . . 0.0 110.682 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -77.52 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 110.602 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.858 ' HB2' ' HB2' ' B' ' 45' ' ' ALA . 20.5 m170 -55.09 -50.44 69.18 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.148 -0.97 . . . . 0.0 110.538 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.3 -37.79 17.28 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.151 -0.968 . . . . 0.0 110.051 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -67.79 -33.29 74.52 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.322 -0.861 . . . . 0.0 109.363 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -92.22 19.41 7.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.438 -0.789 . . . . 0.0 109.616 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.433 HD23 ' CE ' ' A' ' 33' ' ' MET . 5.7 mp 55.64 23.53 6.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.48 -45.99 70.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.172 -0.955 . . . . 0.0 108.938 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.706 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 2.4 m-85 48.17 -176.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.715 -0.616 . . . . 0.0 111.152 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 29.8 tt0 66.09 -62.78 0.25 Allowed 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 121.758 0.789 . . . . 0.0 109.028 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' B' ' 42' ' ' PHE . 18.0 pt-20 -82.27 -33.03 29.3 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-O 121.355 0.598 . . . . 0.0 109.92 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.858 ' HB2' ' HB2' ' B' ' 36' ' ' HIS . . . -80.75 -44.83 18.01 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.286 -0.883 . . . . 0.0 111.195 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.703 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -74.9 -19.65 60.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.22 -0.925 . . . . 0.0 111.114 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 12.2 mm-40 -77.23 -19.84 56.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.917 -1.114 . . . . 0.0 110.305 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.733 HG23 HD23 ' B' ' 29' ' ' LEU . 70.4 mt -70.62 -28.9 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -0.882 . . . . 0.0 110.421 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.4 OUTLIER -53.22 -27.31 21.35 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.13 -0.981 . . . . 0.0 109.977 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.58 -39.36 45.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.303 -0.873 . . . . 0.0 109.874 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.662 ' O ' HD12 ' B' ' 55' ' ' LEU . 19.3 mt-30 -73.79 -42.78 60.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.978 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' B' ' 29' ' ' LEU . 0.5 OUTLIER -64.42 -37.93 89.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.351 -0.843 . . . . 0.0 110.036 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 0.6 OUTLIER -73.95 -34.45 64.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.292 -0.88 . . . . 0.0 110.153 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -80.48 -31.25 37.35 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 110.222 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.662 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.4 OUTLIER -58.09 -31.33 67.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.866 . . . . 0.0 110.786 -179.553 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' B' ' 53' ' ' HIS . 0.0 OUTLIER -58.5 -22.29 54.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.143 -0.973 . . . . 0.0 110.321 -179.758 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -77.82 -38.28 46.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 109.989 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.406 HD23 ' HB3' ' B' ' 61' ' ' ALA . 1.8 mt -57.02 -19.86 21.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.346 -0.846 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . 0.403 ' HA ' ' CD2' ' B' ' 22' ' ' LEU . 46.7 t80 -49.96 -45.32 51.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.213 -0.93 . . . . 0.0 110.414 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mt -74.05 -34.73 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.263 -0.898 . . . . 0.0 110.165 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.406 ' HB3' HD23 ' B' ' 58' ' ' LEU . . . -71.44 -21.97 61.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.279 -0.888 . . . . 0.0 110.176 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.98 -61.83 1.33 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 0.0 110.215 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.169 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.514 ' HG2' HD13 ' A' ' 22' ' ' LEU . 48.7 Cg_endo . . . . . 0 N--CA 1.483 0.872 0 CA-C-O 120.774 0.239 . . . . 0.0 111.661 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 60.27 -72.36 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.363 -0.836 . . . . 0.0 112.339 178.809 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.04 -49.64 11.3 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.089 -1.007 . . . . 0.0 111.311 -178.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.67 ' N ' HD12 ' A' ' 22' ' ' LEU . 8.9 mp -80.56 -37.3 31.65 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.156 -0.965 . . . . 0.0 109.546 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -51.03 -44.53 61.08 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.592 -0.693 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -75.99 -50.8 13.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.303 -0.873 . . . . 0.0 110.32 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -53.57 -36.22 61.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.915 . . . . 0.0 110.286 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.988 HG23 HD11 ' A' ' 52' ' ' LEU . 96.6 mt -78.96 -46.57 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.78 -21.96 65.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.27 -0.894 . . . . 0.0 110.243 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.418 ' OE1' ' CA ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -78.77 -52.52 8.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.285 -0.884 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.554 ' HB2' HD21 ' A' ' 52' ' ' LEU . 8.5 mt -75.36 -35.54 61.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.238 -0.914 . . . . 0.0 110.235 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -67.58 -37.4 82.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.28 -29.67 55.86 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 48' ' ' ILE . 0.9 OUTLIER -62.52 -33.83 75.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.25 -1.147 . . . . 0.0 110.233 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.653 ' CE ' HD23 ' B' ' 40' ' ' LEU . 1.4 mtp -56.21 -30.51 62.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.322 -0.861 . . . . 0.0 110.219 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.64 -32.22 62.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.278 -0.889 . . . . 0.0 110.304 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -76.36 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -0.886 . . . . 0.0 110.363 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.848 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 13.5 m170 -54.0 -49.01 69.82 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.162 -0.962 . . . . 0.0 110.375 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 33' ' ' MET . . . -48.87 -37.3 19.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.179 -0.951 . . . . 0.0 110.061 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.27 -36.07 82.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.311 -0.868 . . . . 0.0 109.572 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -92.3 20.34 6.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.415 -0.803 . . . . 0.0 109.697 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.53 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.3 mp 55.22 24.65 6.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 110.786 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.479 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -66.86 -48.35 69.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.121 -0.987 . . . . 0.0 109.122 178.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.741 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 5.3 m-85 48.93 -176.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.632 -0.668 . . . . 0.0 111.084 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.504 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 31.3 tt0 65.85 -62.37 0.25 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.772 0.796 . . . . 0.0 109.322 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' PHE . 15.6 pt-20 -82.28 -32.26 29.67 Favored 'General case' 0 C--N 1.291 -1.968 0 O-C-N 121.754 -0.591 . . . . 0.0 110.081 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.848 ' HB2' ' HB2' ' A' ' 36' ' ' HIS . . . -80.74 -44.39 18.72 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.268 -0.895 . . . . 0.0 111.21 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.751 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -75.02 -33.99 61.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.113 -0.992 . . . . 0.0 110.935 -179.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.425 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 34.9 mt-30 -54.43 -25.38 24.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.851 -1.156 . . . . 0.0 109.966 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.445 HD11 HD23 ' A' ' 32' ' ' LEU . 62.9 mt -62.81 -26.42 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 110.223 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -53.08 -26.29 15.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.142 -0.974 . . . . 0.0 109.903 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -77.84 -40.49 40.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.366 -0.834 . . . . 0.0 109.807 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.716 ' O ' HD12 ' A' ' 55' ' ' LEU . 29.3 mt-30 -64.72 -37.18 86.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.303 -0.873 . . . . 0.0 109.859 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.988 HD11 HG23 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -69.82 -42.1 74.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.873 . . . . 0.0 110.037 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -54.17 -41.07 68.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.008 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.32 -30.52 38.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 0.0 110.126 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.2 OUTLIER -69.21 -39.23 78.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 110.494 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 3.3 ppt_? -58.84 -22.34 58.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.202 -0.936 . . . . 0.0 110.266 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 33.6 mt-10 -66.05 -39.04 89.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.28 -0.887 . . . . 0.0 109.971 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.558 ' HB3' HD21 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -53.63 -22.72 9.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.344 -0.848 . . . . 0.0 110.193 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.54 -36.45 55.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.932 . . . . 0.0 110.218 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.91 -42.31 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 0.0 110.157 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.32 -21.96 65.64 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.262 -0.899 . . . . 0.0 110.147 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 110.194 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.536 ' HG2' HD13 ' B' ' 22' ' ' LEU . 49.4 Cg_endo . . . . . 0 N--CA 1.483 0.873 0 CA-C-O 120.757 0.232 . . . . 0.0 111.686 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 60.26 -72.38 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.42 -0.8 . . . . 0.0 112.295 178.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.06 -49.52 11.49 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.144 -0.972 . . . . 0.0 111.331 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.672 HD12 ' N ' ' B' ' 22' ' ' LEU . 8.9 mp -80.66 -37.34 31.06 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.278 -0.889 . . . . 0.0 109.473 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -51.04 -44.46 61.07 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.469 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -75.99 -50.83 13.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.913 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.435 ' O ' HD12 ' B' ' 29' ' ' LEU . 0.6 OUTLIER -53.52 -36.18 61.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 0.0 110.342 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 1.046 HG23 HD11 ' B' ' 52' ' ' LEU . 96.6 mt -79.11 -46.64 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.196 -0.94 . . . . 0.0 110.176 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -22.07 64.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.268 -0.895 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.416 ' CA ' ' OE1' ' B' ' 28' ' ' GLU . 0.0 OUTLIER -78.76 -52.48 8.31 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.185 -0.947 . . . . 0.0 110.232 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.526 ' HB2' HD21 ' B' ' 52' ' ' LEU . 8.5 mt -75.4 -35.48 61.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.182 -0.949 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -67.65 -37.55 82.58 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.324 -0.86 . . . . 0.0 110.203 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.24 -29.69 55.95 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.435 HD23 HD11 ' B' ' 48' ' ' ILE . 0.9 OUTLIER -62.4 -33.87 75.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -1.13 . . . . 0.0 110.204 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.433 ' CG ' ' HB ' ' B' ' 48' ' ' ILE . 1.4 mtp -56.19 -30.4 62.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 110.314 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.81 -32.21 61.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.236 -0.915 . . . . 0.0 110.27 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -76.4 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.225 -0.922 . . . . 0.0 110.365 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.85 ' HB2' ' HB2' ' B' ' 45' ' ' ALA . 13.6 m170 -53.97 -49.01 69.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.929 . . . . 0.0 110.366 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' B' ' 33' ' ' MET . . . -48.94 -37.04 18.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.104 -0.997 . . . . 0.0 110.077 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -36.09 82.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 0.0 109.515 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -92.26 20.2 6.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.335 -0.853 . . . . 0.0 109.745 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.653 HD23 ' CE ' ' A' ' 33' ' ' MET . 6.3 mp 55.27 24.62 6.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.407 -0.808 . . . . 0.0 110.786 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' B' ' 36' ' ' HIS . 0.0 OUTLIER -66.78 -48.53 68.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.209 -0.932 . . . . 0.0 109.073 178.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.751 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 5.1 m-85 49.0 -176.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.603 -0.686 . . . . 0.0 111.185 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 31.3 tt0 65.83 -62.26 0.25 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.678 0.751 . . . . 0.0 109.221 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.474 ' OE1' ' CE1' ' B' ' 36' ' ' HIS . 15.6 pt-20 -82.26 -32.23 29.73 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 121.755 -0.59 . . . . 0.0 110.012 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.85 ' HB2' ' HB2' ' B' ' 36' ' ' HIS . . . -80.82 -44.65 18.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.193 -0.942 . . . . 0.0 111.287 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.741 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -74.9 -33.95 62.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.086 -1.009 . . . . 0.0 110.783 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 34.4 mt-30 -54.47 -25.43 25.2 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.843 -1.161 . . . . 0.0 109.953 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.435 HD11 HD23 ' B' ' 32' ' ' LEU . 63.1 mt -62.68 -26.38 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -0.886 . . . . 0.0 110.22 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.2 OUTLIER -53.09 -26.25 15.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.136 -0.978 . . . . 0.0 109.913 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -77.79 -40.67 39.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.396 -0.815 . . . . 0.0 109.819 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.729 ' O ' HD12 ' B' ' 55' ' ' LEU . 29.3 mt-30 -64.59 -37.24 86.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.263 -0.898 . . . . 0.0 109.9 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 1.046 HD11 HG23 ' B' ' 26' ' ' ILE . 0.5 OUTLIER -69.8 -42.12 74.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 0.0 109.998 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.427 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 0.2 OUTLIER -54.19 -40.99 68.08 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.246 -0.909 . . . . 0.0 109.947 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.38 -30.63 37.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.235 -0.916 . . . . 0.0 110.073 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.729 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.2 OUTLIER -69.07 -39.15 79.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.282 -0.886 . . . . 0.0 110.607 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' B' ' 53' ' ' HIS . 3.3 ppt_? -58.91 -22.26 59.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.168 -0.958 . . . . 0.0 110.277 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' B' ' 56' ' ' ARG . 33.6 mt-10 -66.12 -39.09 89.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.268 -0.895 . . . . 0.0 109.931 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.557 ' HB3' HD21 ' B' ' 22' ' ' LEU . 0.4 OUTLIER -53.55 -22.74 8.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.341 -0.849 . . . . 0.0 110.162 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -52.58 -36.42 56.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 0.0 110.244 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.87 -42.36 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.41 -21.87 65.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.361 -0.837 . . . . 0.0 110.142 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.63 -60.06 1.6 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.223 -0.923 . . . . 0.0 110.195 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.232 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' ALA . 46.0 Cg_endo . . . . . 0 C--O 1.214 -0.708 0 CA-C-O 120.917 0.299 . . . . 0.0 111.713 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -68.05 0.1 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.268 -0.895 . . . . 0.0 111.577 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.31 -47.61 18.36 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.177 -0.952 . . . . 0.0 110.891 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.664 ' N ' HD12 ' A' ' 22' ' ' LEU . 8.9 mp -80.54 -41.64 23.8 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.348 -0.845 . . . . 0.0 109.42 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -51.48 -51.99 50.44 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.655 -0.653 . . . . 0.0 110.374 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.3 -53.27 38.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.314 -0.866 . . . . 0.0 110.343 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -39.8 62.98 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.21 -0.931 . . . . 0.0 110.306 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.47 HG23 HD11 ' A' ' 52' ' ' LEU . 95.7 mt -75.15 -54.44 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.161 -0.962 . . . . 0.0 110.214 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -62.95 -29.44 70.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.268 -0.895 . . . . 0.0 110.291 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -77.84 -48.33 16.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.228 -0.92 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.75 HD22 HD12 ' A' ' 48' ' ' ILE . 24.3 mt -63.94 -42.16 97.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.17 -48.29 73.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.273 -0.892 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.17 -25.87 74.34 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.4 -27.96 64.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.266 -1.138 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.8 mtp -58.87 -61.38 2.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -0.927 . . . . 0.0 110.329 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.1 tpp -53.33 -39.89 64.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.221 -0.925 . . . . 0.0 110.158 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -73.88 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.852 . . . . 0.0 110.057 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.812 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 5.1 m-70 -52.62 -46.18 66.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.325 -0.859 . . . . 0.0 110.225 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.61 -43.73 72.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.039 -1.038 . . . . 0.0 109.153 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -59.62 -32.11 70.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.322 -0.861 . . . . 0.0 109.127 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -89.85 15.26 10.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.419 -0.801 . . . . 0.0 109.513 178.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.6 mp 56.7 20.13 4.84 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.47 -0.769 . . . . 0.0 111.246 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' GLU . 1.2 mm-40 -65.33 -51.96 57.08 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.881 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 3.1 m-85 61.71 -57.45 0.11 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 178.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' GLU . 25.5 tt0 -47.88 -59.41 3.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.807 -1.183 . . . . 0.0 109.477 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' A' ' 36' ' ' HIS . 13.0 pt-20 -81.4 -19.44 42.59 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.667 -0.646 . . . . 0.0 110.304 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.812 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -82.04 -51.14 8.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.111 -0.993 . . . . 0.0 112.071 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.868 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -80.23 -20.04 45.53 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.103 -0.998 . . . . 0.0 111.546 -178.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 48' ' ' ILE . 7.2 pt20 -67.67 -26.95 66.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.768 -1.207 . . . . 0.0 109.346 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.75 HD12 HD22 ' A' ' 29' ' ' LEU . 40.7 mm -56.84 -28.92 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.188 -0.945 . . . . 0.0 109.206 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -30.86 47.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.537 -0.727 . . . . 0.0 109.495 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -76.16 -35.73 59.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.882 . . . . 0.0 109.845 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.75 ' O ' HD12 ' A' ' 55' ' ' LEU . 22.4 mt-30 -76.24 -42.57 45.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.0 110.025 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -61.72 -46.65 88.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 110.215 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.3 -40.85 74.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -71.03 -49.89 39.97 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.194 -0.941 . . . . 0.0 110.241 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.75 HD12 ' O ' ' A' ' 51' ' ' GLN . 5.2 mt -55.14 -21.42 13.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.314 -0.867 . . . . 0.0 110.244 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -52.36 56.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 110.267 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.53 -33.75 73.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.92 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 55' ' ' LEU . 38.4 mt -68.97 -23.04 64.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.247 -0.908 . . . . 0.0 110.209 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -58.3 -48.13 81.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.25 -0.906 . . . . 0.0 110.163 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -72.83 -45.47 56.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.947 . . . . 0.0 110.217 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.49 -27.42 25.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.286 -0.884 . . . . 0.0 110.218 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' B' ' 21' ' ' ALA . 46.5 Cg_endo . . . . . 0 C--O 1.214 -0.701 0 CA-C-O 120.865 0.277 . . . . 0.0 111.671 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.88 -68.02 0.09 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.319 -0.863 . . . . 0.0 111.646 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.3 -47.66 18.31 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.122 -0.986 . . . . 0.0 110.913 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.667 HD12 ' N ' ' B' ' 22' ' ' LEU . 8.9 mp -80.49 -41.62 24.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.253 -0.904 . . . . 0.0 109.399 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -51.4 -52.11 48.85 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.665 -0.647 . . . . 0.0 110.448 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.18 -53.31 38.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.332 -0.855 . . . . 0.0 110.385 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -39.76 63.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.24 -0.913 . . . . 0.0 110.328 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.468 HG23 HD11 ' B' ' 52' ' ' LEU . 95.5 mt -75.08 -54.44 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.159 -0.963 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -63.01 -29.33 70.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.226 -0.922 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -77.97 -48.33 16.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.221 -0.924 . . . . 0.0 110.239 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.74 HD22 HD12 ' B' ' 48' ' ' ILE . 24.5 mt -63.85 -42.18 97.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.234 -0.916 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.29 -48.26 74.34 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.202 -0.936 . . . . 0.0 110.261 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.11 -25.82 74.31 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -70.58 -28.04 64.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.189 -1.183 . . . . 0.0 110.205 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.427 ' CE ' HD23 ' A' ' 40' ' ' LEU . 1.8 mtp -58.83 -61.33 2.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 0.0 110.366 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 34.4 tpp -53.3 -39.89 64.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.167 -0.958 . . . . 0.0 110.193 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -53.06 -73.9 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.312 -0.868 . . . . 0.0 110.081 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.81 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 5.1 m-70 -52.58 -46.19 66.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.204 -0.935 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.81 72.81 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.122 -0.986 . . . . 0.0 109.203 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' B' ' 35' ' ' GLN . 2.0 mt-30 -59.4 -32.17 69.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.363 -0.835 . . . . 0.0 109.1 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -89.79 15.2 10.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.49 -0.756 . . . . 0.0 109.513 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.543 HD12 ' N ' ' B' ' 40' ' ' LEU . 6.5 mp 56.58 20.27 4.82 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.501 -0.749 . . . . 0.0 111.272 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 43' ' ' GLU . 1.2 mm-40 -65.42 -51.81 57.67 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.868 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 3.0 m-85 61.69 -57.47 0.11 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 178.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 41' ' ' GLU . 25.4 tt0 -47.88 -59.56 3.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.753 -1.217 . . . . 0.0 109.507 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.474 ' HG3' ' CD2' ' B' ' 36' ' ' HIS . 13.0 pt-20 -81.38 -19.27 43.0 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.657 -0.652 . . . . 0.0 110.333 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.81 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -82.2 -50.96 8.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.071 -1.018 . . . . 0.0 111.938 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.881 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -80.34 -20.01 45.17 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.209 -0.932 . . . . 0.0 111.558 -178.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' B' ' 48' ' ' ILE . 7.2 pt20 -67.67 -26.86 66.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.863 -1.148 . . . . 0.0 109.344 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.74 HD12 HD22 ' B' ' 29' ' ' LEU . 40.8 mm -56.95 -28.91 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.227 -0.921 . . . . 0.0 109.173 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -30.82 47.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.557 -0.715 . . . . 0.0 109.568 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -76.26 -35.61 58.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 109.831 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.759 ' O ' HD12 ' B' ' 55' ' ' LEU . 22.3 mt-30 -76.23 -42.64 45.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.898 . . . . 0.0 110.057 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.496 HD23 ' HB3' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -61.73 -46.62 88.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 110.163 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -40.9 75.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.322 -0.861 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -70.9 -50.0 39.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.759 HD12 ' O ' ' B' ' 51' ' ' GLN . 5.2 mt -55.11 -21.37 12.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.229 -0.92 . . . . 0.0 110.321 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -52.26 57.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 110.334 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.51 -34.05 73.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.249 -0.907 . . . . 0.0 110.169 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' B' ' 55' ' ' LEU . 38.7 mt -68.83 -23.04 64.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.301 -0.875 . . . . 0.0 110.228 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.24 -48.06 81.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 110.296 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -72.87 -45.36 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 0.0 110.217 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.63 -27.46 27.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.257 -0.902 . . . . 0.0 110.217 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.06 -61.29 1.61 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.922 . . . . 0.0 110.198 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.172 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.444 ' HG2' HD13 ' A' ' 22' ' ' LEU . 46.4 Cg_endo . . . . . 0 C--O 1.214 -0.675 0 CA-C-O 120.885 0.286 . . . . 0.0 111.662 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? 63.86 -68.0 0.09 Allowed 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.323 -0.861 . . . . 0.0 111.576 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.16 -46.62 17.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.208 -0.932 . . . . 0.0 110.998 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.661 ' N ' HD12 ' A' ' 22' ' ' LEU . 9.1 mp -80.47 -42.85 21.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.267 -0.896 . . . . 0.0 109.426 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -51.97 -44.82 64.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.682 -0.636 . . . . 0.0 110.295 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -46.97 61.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.194 -0.941 . . . . 0.0 110.188 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -60.69 -49.25 78.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 81.7 mt -54.4 -56.77 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 0.0 110.148 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.88 -19.93 65.82 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.229 -0.92 . . . . 0.0 110.325 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.61 -47.57 16.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -0.934 . . . . 0.0 110.224 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 mt -52.84 -37.26 59.94 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 110.235 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -45.12 83.67 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.295 -0.878 . . . . 0.0 110.18 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.96 -32.42 82.03 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -78.04 -23.18 48.26 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.251 -1.147 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.582 ' HE3' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -61.87 -58.86 6.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.283 -0.885 . . . . 0.0 110.395 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.4 ttm -63.06 -31.93 73.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.227 -0.92 . . . . 0.0 110.308 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -76.3 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.93 . . . . 0.0 110.298 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.785 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 23.3 m-70 -52.48 -50.86 61.88 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.19 -0.944 . . . . 0.0 110.41 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.76 -43.91 38.2 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.169 -0.957 . . . . 0.0 110.064 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -58.9 -33.42 70.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 0.0 109.266 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -91.6 17.13 9.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.379 -0.826 . . . . 0.0 109.623 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.402 HD23 ' CE ' ' B' ' 33' ' ' MET . 5.6 mp 55.9 25.41 8.58 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.41 -0.806 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -69.57 -45.86 67.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.113 -0.992 . . . . 0.0 109.021 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.641 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 7.4 m-85 48.93 -177.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.665 -0.647 . . . . 0.0 111.274 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 30.1 tt0 66.18 -63.25 0.24 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.774 0.797 . . . . 0.0 109.033 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.47 ' OE1' ' CD2' ' A' ' 36' ' ' HIS . 11.6 pt-20 -82.62 -31.45 28.85 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-O 121.369 0.604 . . . . 0.0 109.708 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.785 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -80.96 -46.26 15.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.424 -0.798 . . . . 0.0 111.135 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.642 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -74.38 -19.55 60.39 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.272 -0.892 . . . . 0.0 110.977 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 14.9 mm-40 -72.91 -19.81 61.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.959 -1.088 . . . . 0.0 110.212 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.475 HD13 ' OE1' ' A' ' 51' ' ' GLN . 50.5 mm -70.36 -29.49 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.118 -0.989 . . . . 0.0 110.69 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.582 ' HA ' ' HE3' ' A' ' 33' ' ' MET . 0.7 OUTLIER -52.88 -27.48 18.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.028 -1.045 . . . . 0.0 110.107 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.03 -36.41 41.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.371 -0.831 . . . . 0.0 109.785 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.475 ' OE1' HD13 ' A' ' 48' ' ' ILE . 29.6 mt-30 -68.41 -33.99 75.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.885 . . . . 0.0 110.021 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 52' ' ' LEU . 2.7 mt -54.03 -52.02 62.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.874 . . . . 0.0 110.011 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -70.49 -38.35 74.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.355 -0.84 . . . . 0.0 110.121 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.94 -43.66 98.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.107 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 51' ' ' GLN . 2.0 mp -71.13 -23.97 62.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.247 -0.908 . . . . 0.0 110.147 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -59.47 -53.53 57.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.255 -0.903 . . . . 0.0 110.145 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.6 pt-20 -62.67 -23.37 67.08 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 0.0 110.147 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.473 HD23 HD21 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -70.95 -22.15 62.25 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.208 -0.933 . . . . 0.0 110.145 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -53.31 -47.0 69.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 0.0 110.183 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.5 mt -66.45 -48.79 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.911 . . . . 0.0 110.152 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.34 -24.46 29.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 110.091 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.274 -0.891 . . . . 0.0 110.202 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.45 ' HG2' HD13 ' B' ' 22' ' ' LEU . 45.7 Cg_endo . . . . . 0 C--O 1.214 -0.7 0 CA-C-O 120.98 0.325 . . . . 0.0 111.628 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? 63.89 -68.17 0.09 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.325 -0.859 . . . . 0.0 111.625 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.99 -46.76 16.6 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.141 -0.974 . . . . 0.0 111.002 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.658 HD12 ' N ' ' B' ' 22' ' ' LEU . 9.2 mp -80.5 -42.75 21.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -0.911 . . . . 0.0 109.415 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -52.01 -44.84 64.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.654 -0.654 . . . . 0.0 110.345 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -47.12 61.32 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.923 . . . . 0.0 110.246 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -60.53 -49.33 77.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.219 -0.926 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 81.9 mt -54.4 -56.77 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.135 -0.978 . . . . 0.0 110.152 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.87 -19.94 65.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.207 -0.933 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.59 -47.5 17.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.275 -0.891 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mt -52.9 -37.22 60.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.227 -0.92 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -45.15 83.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.309 -0.87 . . . . 0.0 110.193 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.5 82.27 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -77.98 -23.1 48.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -1.125 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.57 ' HE3' ' HA ' ' B' ' 49' ' ' ARG . 0.0 OUTLIER -61.91 -58.88 6.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.321 -0.862 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.5 ttm -63.09 -31.87 73.12 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.245 -0.909 . . . . 0.0 110.307 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -76.33 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.264 -0.897 . . . . 0.0 110.315 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.797 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 23.4 m-70 -52.39 -50.98 61.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 110.388 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.75 -43.78 37.93 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.197 -0.939 . . . . 0.0 110.11 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -58.97 -33.44 70.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.256 -0.902 . . . . 0.0 109.216 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -91.61 17.22 9.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.438 -0.789 . . . . 0.0 109.596 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mp 55.82 25.46 8.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.513 -0.742 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -69.51 -45.97 67.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.188 -0.945 . . . . 0.0 109.003 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.642 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 7.3 m-85 49.01 -177.57 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.676 -0.64 . . . . 0.0 111.282 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 30.1 tt0 66.15 -63.23 0.24 Allowed 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 121.815 0.817 . . . . 0.0 108.995 -178.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.473 ' OE1' ' CD2' ' B' ' 36' ' ' HIS . 11.6 pt-20 -82.69 -31.45 28.6 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.419 0.628 . . . . 0.0 109.677 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.797 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.89 -46.28 15.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.3 -0.875 . . . . 0.0 111.11 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.641 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -74.43 -19.53 60.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.136 -0.978 . . . . 0.0 110.981 -178.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 14.8 mm-40 -72.98 -19.71 61.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.956 -1.09 . . . . 0.0 110.202 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.493 HD13 ' OE1' ' B' ' 51' ' ' GLN . 50.6 mm -70.38 -29.52 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.155 -0.966 . . . . 0.0 110.601 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.57 ' HA ' ' HE3' ' B' ' 33' ' ' MET . 0.7 OUTLIER -52.81 -27.55 18.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.039 -1.038 . . . . 0.0 110.149 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.0 -36.43 41.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.307 -0.871 . . . . 0.0 109.808 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.493 ' OE1' HD13 ' B' ' 48' ' ' ILE . 29.9 mt-30 -68.4 -34.01 75.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.323 -0.861 . . . . 0.0 109.984 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' ' 52' ' ' LEU . 2.7 mt -54.05 -51.94 62.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.294 -0.879 . . . . 0.0 109.976 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -70.53 -38.5 74.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.26 -0.9 . . . . 0.0 109.976 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.81 -43.81 97.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.251 -0.905 . . . . 0.0 110.095 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.419 ' CD1' ' O ' ' B' ' 51' ' ' GLN . 2.0 mp -71.07 -24.09 62.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.309 -0.869 . . . . 0.0 110.102 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -59.37 -53.6 56.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.316 -0.865 . . . . 0.0 110.158 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.5 pt-20 -62.67 -23.32 67.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.347 -0.846 . . . . 0.0 110.161 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.47 HD23 HD21 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -70.94 -22.17 62.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.317 -0.865 . . . . 0.0 110.187 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -53.21 -47.06 69.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.249 -0.907 . . . . 0.0 110.116 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 10.4 mt -66.49 -48.89 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.263 -0.898 . . . . 0.0 110.143 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.12 -24.6 26.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.913 . . . . 0.0 110.157 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.34 -71.02 0.67 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.227 -0.921 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.239 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.528 ' HB3' HD22 ' A' ' 22' ' ' LEU . 40.4 Cg_endo . . . . . 0 N--CA 1.482 0.843 0 CA-C-O 120.952 0.313 . . . . 0.0 111.646 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 68.94 -66.54 0.24 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.386 -0.821 . . . . 0.0 108.983 -178.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CD ' ' A' ' 25' ' ' LYS . . . -57.18 -28.21 62.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.117 -0.989 . . . . 0.0 108.82 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.66 ' N ' HD12 ' A' ' 22' ' ' LEU . 8.2 mp -77.79 -48.87 15.53 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -50.01 -55.82 13.16 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.497 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -45.31 93.82 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.359 -0.838 . . . . 0.0 110.416 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 21' ' ' ALA . 3.4 mttp -62.28 -52.97 61.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.119 -0.988 . . . . 0.0 110.365 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.1 mt -53.0 -50.7 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 110.238 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.46 -19.87 63.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.278 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.16 -39.18 55.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 110.242 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' O ' HG21 ' A' ' 48' ' ' ILE . 18.3 mt -78.82 -40.91 31.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -0.909 . . . . 0.0 110.151 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.802 ' HB2' HD11 ' A' ' 52' ' ' LEU . 20.4 tt0 -53.3 -42.44 66.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.176 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.18 -21.06 65.9 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' HA ' HD12 ' A' ' 32' ' ' LEU . 29.1 tp -56.43 -55.99 26.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -1.206 . . . . 0.0 110.406 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.658 ' HA ' ' HB1' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -79.52 -19.83 48.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.068 -1.02 . . . . 0.0 110.205 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.93 52.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.125 -0.984 . . . . 0.0 109.963 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 36' ' ' HIS . 6.2 pt20 -54.35 -24.95 21.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.17 -0.956 . . . . 0.0 109.65 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -80.19 -55.42 4.93 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.433 -0.792 . . . . 0.0 109.83 179.391 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.064 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -49.91 -35.86 25.35 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.207 -0.933 . . . . 0.0 109.546 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.41 ' HG2' ' HG2' ' B' ' 38' ' ' GLN . 27.5 mt-30 -71.26 -36.88 71.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.404 -0.81 . . . . 0.0 109.211 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -95.46 25.66 4.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.463 -0.773 . . . . 0.0 109.68 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp 56.1 44.97 24.39 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.6 -0.687 . . . . 0.0 110.762 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.444 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 4.3 mm-40 -128.11 18.02 6.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 0.0 109.954 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.01 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 7.3 p90 -60.42 -9.6 3.8 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.454 -0.779 . . . . 0.0 111.724 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -49.52 -68.08 0.21 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.553 -1.342 . . . . 0.0 109.305 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 4.0 pt-20 -81.34 -19.35 42.99 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.576 -0.702 . . . . 0.0 109.624 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 1.01 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -77.57 -54.34 6.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.325 -0.859 . . . . 0.0 111.33 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.679 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -44.53 -29.99 0.81 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.352 -0.842 . . . . 0.0 111.117 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -55.74 -32.94 63.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.034 -1.042 . . . . 0.0 109.704 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.02 HG22 HD23 ' A' ' 52' ' ' LEU . 35.6 mm -51.26 -33.21 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.318 -0.864 . . . . 0.0 109.725 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -29.68 4.51 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.507 -0.745 . . . . 0.0 109.525 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.17 -40.2 78.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.428 -0.795 . . . . 0.0 109.235 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.588 ' O ' HD12 ' A' ' 55' ' ' LEU . 28.3 mt-30 -80.22 -30.83 38.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.437 -0.789 . . . . 0.0 109.685 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.02 HD23 HG22 ' A' ' 48' ' ' ILE . 1.2 mm? -65.41 -40.5 93.48 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.456 -0.777 . . . . 0.0 110.152 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -74.53 -39.55 62.29 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.925 . . . . 0.0 110.158 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -64.66 -51.97 59.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.225 -0.922 . . . . 0.0 110.259 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -62.46 -32.23 73.08 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.843 . . . . 0.0 110.153 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.07 -47.3 86.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.233 -0.917 . . . . 0.0 110.186 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.22 -32.8 49.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.274 -0.891 . . . . 0.0 110.197 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.72 -32.73 60.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.156 -0.965 . . . . 0.0 110.176 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.93 -44.8 74.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.237 -0.914 . . . . 0.0 110.151 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.38 -41.26 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.305 -0.872 . . . . 0.0 110.117 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.71 -21.44 64.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.237 -0.914 . . . . 0.0 110.246 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.228 -0.92 . . . . 0.0 110.141 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.542 ' HB3' HD22 ' B' ' 22' ' ' LEU . 40.1 Cg_endo . . . . . 0 N--CA 1.482 0.812 0 CA-C-O 120.899 0.291 . . . . 0.0 111.663 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 68.88 -66.47 0.25 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.319 -0.863 . . . . 0.0 109.015 -178.676 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.417 ' O ' ' CD ' ' B' ' 25' ' ' LYS . . . -57.28 -28.08 62.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.165 -0.959 . . . . 0.0 108.806 178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.665 HD12 ' N ' ' B' ' 22' ' ' LEU . 8.3 mp -77.77 -48.99 15.28 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -49.9 -55.82 12.91 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.552 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.31 93.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.871 . . . . 0.0 110.445 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' B' ' 21' ' ' ALA . 3.4 mttp -62.35 -53.03 61.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.264 -0.898 . . . . 0.0 110.366 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.2 mt -52.88 -50.76 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.133 -0.979 . . . . 0.0 110.209 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.37 -19.96 63.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.349 -0.845 . . . . 0.0 110.268 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.13 -39.06 55.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.218 -0.926 . . . . 0.0 110.34 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.518 ' O ' HG21 ' B' ' 48' ' ' ILE . 18.2 mt -78.9 -40.91 30.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.197 -0.939 . . . . 0.0 110.103 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.824 ' HB2' HD11 ' B' ' 52' ' ' LEU . 20.5 tt0 -53.38 -42.32 66.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.855 . . . . 0.0 110.201 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.17 -21.19 65.64 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 29.2 tp -56.41 -56.09 25.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.204 -1.174 . . . . 0.0 110.369 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.657 ' HA ' ' HB1' ' B' ' 45' ' ' ALA . 0.3 OUTLIER -79.37 -19.92 48.99 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.122 -0.986 . . . . 0.0 110.253 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -53.99 51.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.165 -0.959 . . . . 0.0 109.987 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' B' ' 36' ' ' HIS . 6.2 pt20 -54.26 -25.06 21.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -0.999 . . . . 0.0 109.567 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' B' ' 45' ' ' ALA . 0.1 OUTLIER -80.24 -55.37 4.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.474 -0.766 . . . . 0.0 109.777 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 1.064 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -49.83 -35.96 24.9 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.566 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.41 ' HG2' ' HG2' ' A' ' 38' ' ' GLN . 27.5 mt-30 -71.32 -36.7 71.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.424 -0.797 . . . . 0.0 109.252 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -95.47 25.54 4.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.495 -0.753 . . . . 0.0 109.667 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mp 56.06 44.99 24.46 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.572 -0.705 . . . . 0.0 110.749 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.447 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 4.3 mm-40 -128.07 18.13 6.61 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.317 -0.865 . . . . 0.0 109.954 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 1.0 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 7.3 p90 -60.39 -9.58 3.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.437 -0.789 . . . . 0.0 111.779 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -49.59 -68.1 0.2 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.56 -1.338 . . . . 0.0 109.298 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 4.0 pt-20 -81.28 -19.36 43.15 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.523 -0.736 . . . . 0.0 109.634 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 1.0 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -77.61 -54.3 6.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.386 -0.821 . . . . 0.0 111.209 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.677 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -44.65 -29.94 0.84 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.39 -0.819 . . . . 0.0 111.063 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -55.77 -32.9 63.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.035 -1.04 . . . . 0.0 109.738 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.964 HG22 HD23 ' B' ' 52' ' ' LEU . 35.4 mm -51.3 -33.18 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.228 -0.92 . . . . 0.0 109.707 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.63 -29.61 4.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.484 -0.76 . . . . 0.0 109.483 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.11 -40.25 78.46 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.379 -0.826 . . . . 0.0 109.213 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.582 ' O ' HD12 ' B' ' 55' ' ' LEU . 28.4 mt-30 -80.36 -30.71 37.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.451 -0.78 . . . . 0.0 109.68 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.964 HD23 HG22 ' B' ' 48' ' ' ILE . 1.2 mm? -65.37 -40.54 93.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.422 -0.799 . . . . 0.0 110.181 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -74.56 -39.45 62.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 110.162 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.95 -51.83 59.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.889 . . . . 0.0 110.15 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.582 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.3 OUTLIER -62.49 -32.22 73.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.173 -0.954 . . . . 0.0 110.146 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.15 -47.31 86.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.3 -0.875 . . . . 0.0 110.12 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.06 -32.97 49.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.234 -0.916 . . . . 0.0 110.245 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.49 -32.88 60.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.888 . . . . 0.0 110.185 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.9 -44.82 74.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.908 . . . . 0.0 110.194 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.3 -41.3 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.202 -0.936 . . . . 0.0 110.114 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.7 -21.56 64.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.0 110.26 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.87 -58.74 1.83 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.929 . . . . 0.0 110.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.228 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.461 ' HG2' ' HB3' ' A' ' 22' ' ' LEU . 45.8 Cg_endo . . . . . 0 N--CA 1.487 1.126 0 CA-C-O 121.174 0.406 . . . . 0.0 111.326 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 24' ' ' GLN . 0.1 OUTLIER 64.42 -69.58 0.09 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.455 -0.778 . . . . 0.0 110.889 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.18 -52.73 14.9 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.1 -1.0 . . . . 0.0 110.29 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.69 ' C ' HD23 ' A' ' 22' ' ' LEU . 5.3 tt -67.56 -68.6 0.37 Allowed 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.52 -0.737 . . . . 0.0 109.071 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -44.13 -29.61 0.64 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.712 -0.617 . . . . 0.0 111.049 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 14.1 tm0? -80.2 -31.7 38.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.1 -1.0 . . . . 0.0 110.075 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -72.97 -49.67 27.77 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.338 -0.851 . . . . 0.0 110.21 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.597 ' CD1' HD21 ' A' ' 22' ' ' LEU . 73.6 mt -60.08 -45.65 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -58.88 -23.02 60.49 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.304 -0.872 . . . . 0.0 110.38 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.11 -34.13 38.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.173 -0.955 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.3 mt -78.57 -38.85 39.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 0.0 110.204 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.74 -45.14 78.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 0.0 110.195 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.28 -28.28 72.82 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.546 ' HB3' HD13 ' A' ' 48' ' ' ILE . 4.4 tp -58.33 -41.99 85.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.201 -1.176 . . . . 0.0 110.166 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.817 ' HE1' HD23 ' B' ' 40' ' ' LEU . 7.7 mtp -56.49 -42.87 79.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.233 -0.917 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.422 ' CE ' ' O ' ' B' ' 38' ' ' GLN . 0.3 OUTLIER -51.16 -37.37 45.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.274 -0.891 . . . . 0.0 110.648 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -78.15 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.923 . . . . 0.0 110.612 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.65 ' ND1' ' HB2' ' A' ' 45' ' ' ALA . 5.0 m170 -54.71 -52.5 62.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.316 -0.865 . . . . 0.0 110.91 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.49 -30.67 2.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.232 -0.918 . . . . 0.0 110.254 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.466 ' O ' ' HE1' ' B' ' 34' ' ' MET . 18.5 mt-30 -80.03 -34.49 38.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.345 -0.847 . . . . 0.0 109.426 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -95.52 25.09 4.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.37 -0.831 . . . . 0.0 109.61 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.805 HD23 ' HE1' ' B' ' 33' ' ' MET . 5.0 mp 54.34 29.0 10.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.571 -0.706 . . . . 0.0 110.583 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . 15.0 mt-10 -107.18 18.48 21.64 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.142 -0.974 . . . . 0.0 109.952 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.026 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.9 p90 -61.25 -8.23 3.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.464 -0.772 . . . . 0.0 112.024 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -49.28 -67.86 0.23 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.497 -1.377 . . . . 0.0 109.357 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 4.6 pt-20 -81.72 -19.33 41.69 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.523 -0.736 . . . . 0.0 109.661 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 1.026 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -77.52 -51.09 11.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.435 -0.79 . . . . 0.0 111.602 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.711 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -50.56 -24.21 3.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.975 -1.078 . . . . 0.0 110.399 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -53.02 -31.78 43.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.978 -1.076 . . . . 0.0 109.544 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.546 HD13 ' HB3' ' A' ' 32' ' ' LEU . 67.2 mt -53.95 -27.76 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.318 -0.864 . . . . 0.0 108.926 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -51.52 -34.79 37.76 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.583 -0.698 . . . . 0.0 109.21 178.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.61 -35.69 80.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.385 -0.822 . . . . 0.0 109.322 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.848 ' O ' HD12 ' A' ' 55' ' ' LEU . 27.6 mt-30 -76.3 -38.13 56.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 109.593 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.414 HD13 HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -67.49 -43.48 80.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.397 -0.814 . . . . 0.0 109.933 179.647 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -71.87 -40.22 69.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.56 -44.59 74.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.27 -0.894 . . . . 0.0 110.089 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 51' ' ' GLN . 2.4 mt -59.94 -23.64 63.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.249 -0.907 . . . . 0.0 110.1 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -53.25 -47.94 68.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.134 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -62.89 -44.64 95.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 110.022 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.52 -22.15 42.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.312 -0.867 . . . . 0.0 110.218 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.419 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . 8.5 t80 -53.19 -45.32 68.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.0 110.176 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 84.1 mt -76.53 -35.68 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.249 -0.907 . . . . 0.0 110.14 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.16 65.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.929 . . . . 0.0 110.069 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.349 -0.844 . . . . 0.0 110.161 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.447 ' HG2' ' HB3' ' B' ' 22' ' ' LEU . 45.0 Cg_endo . . . . . 0 N--CA 1.486 1.076 0 CA-C-O 121.196 0.415 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' B' ' 24' ' ' GLN . 0.1 OUTLIER 64.4 -69.63 0.09 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.418 -0.801 . . . . 0.0 110.939 179.715 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.18 -52.7 14.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.122 -0.986 . . . . 0.0 110.29 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.682 ' C ' HD23 ' B' ' 22' ' ' LEU . 5.3 tt -67.53 -68.65 0.37 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.499 -0.751 . . . . 0.0 109.09 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -43.97 -29.76 0.62 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.712 -0.618 . . . . 0.0 111.057 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' B' ' 20' ' ' LYS . 14.2 tm0? -80.17 -31.74 38.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -0.999 . . . . 0.0 110.107 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -73.02 -49.53 28.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 110.187 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.59 ' CD1' HD21 ' B' ' 22' ' ' LEU . 73.8 mt -60.06 -45.7 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.911 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -58.89 -23.01 60.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.254 -0.904 . . . . 0.0 110.366 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.06 -34.16 38.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.189 -0.944 . . . . 0.0 110.296 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 17.2 mt -78.6 -38.87 38.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 0.0 110.139 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.78 -45.16 78.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 0.0 110.207 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.14 -28.35 72.92 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.531 ' HB3' HD13 ' B' ' 48' ' ' ILE . 4.4 tp -58.36 -41.98 85.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.308 -1.113 . . . . 0.0 110.184 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.805 ' HE1' HD23 ' A' ' 40' ' ' LEU . 7.7 mtp -56.38 -42.94 78.68 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.158 -0.963 . . . . 0.0 110.293 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . 0.466 ' HE1' ' O ' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -51.12 -37.44 45.99 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.272 -0.893 . . . . 0.0 110.638 -179.684 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -78.06 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.164 -0.96 . . . . 0.0 110.64 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.663 ' ND1' ' HB2' ' B' ' 45' ' ' ALA . 5.0 m170 -54.75 -52.5 62.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.326 -0.859 . . . . 0.0 110.936 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.52 -30.71 2.36 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.301 -0.875 . . . . 0.0 110.341 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.422 ' O ' ' CE ' ' A' ' 34' ' ' MET . 18.6 mt-30 -79.78 -34.85 39.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.374 -0.829 . . . . 0.0 109.451 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -95.29 25.04 4.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.359 -0.838 . . . . 0.0 109.528 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.817 HD23 ' HE1' ' A' ' 33' ' ' MET . 5.0 mp 54.43 28.95 10.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.483 -0.761 . . . . 0.0 110.631 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.4 ' HB2' ' HA ' ' B' ' 36' ' ' HIS . 15.1 mt-10 -107.17 18.44 21.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.232 -0.918 . . . . 0.0 109.9 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 1.013 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 6.1 p90 -61.21 -8.22 3.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.367 -0.833 . . . . 0.0 111.982 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -49.29 -67.95 0.22 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.444 -1.41 . . . . 0.0 109.322 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -81.66 -19.33 41.91 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.445 -0.784 . . . . 0.0 109.69 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 1.013 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -77.56 -51.1 11.23 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.373 -0.83 . . . . 0.0 111.52 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.711 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -50.55 -24.22 3.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.099 -1.0 . . . . 0.0 110.434 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -52.95 -31.88 42.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.068 -1.02 . . . . 0.0 109.592 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' B' ' 32' ' ' LEU . 66.8 mt -53.85 -27.71 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.369 -0.832 . . . . 0.0 109.055 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -51.65 -34.69 39.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.503 -0.748 . . . . 0.0 109.156 178.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.67 -35.63 80.6 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.378 -0.826 . . . . 0.0 109.343 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.848 ' O ' HD12 ' B' ' 55' ' ' LEU . 27.6 mt-30 -76.2 -38.28 56.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.442 -0.786 . . . . 0.0 109.583 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.415 HD13 HG23 ' B' ' 26' ' ' ILE . 0.2 OUTLIER -67.49 -43.45 80.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 0.0 110.007 179.66 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -71.73 -40.33 69.49 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.384 -0.822 . . . . 0.0 110.102 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.51 -44.74 74.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.948 . . . . 0.0 109.975 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.848 HD12 ' O ' ' B' ' 51' ' ' GLN . 2.4 mt -59.84 -23.74 63.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.248 -0.907 . . . . 0.0 110.12 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -53.17 -47.85 68.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.284 -0.885 . . . . 0.0 110.141 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -63.12 -44.46 95.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.228 -0.92 . . . . 0.0 109.944 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -22.17 43.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.356 -0.84 . . . . 0.0 110.149 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . 0.421 ' HA ' ' CD1' ' B' ' 22' ' ' LEU . 8.5 t80 -53.24 -45.25 68.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.344 -0.848 . . . . 0.0 110.198 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 84.1 mt -76.61 -35.62 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.183 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.63 -24.35 65.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.224 -0.923 . . . . 0.0 110.131 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.47 -73.66 0.47 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.283 -0.886 . . . . 0.0 110.223 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.164 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HG2' HD13 ' A' ' 22' ' ' LEU . 46.8 Cg_endo . . . . . 0 C--O 1.214 -0.71 0 CA-C-O 120.934 0.306 . . . . 0.0 111.667 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? 64.39 -67.69 0.11 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.284 -0.885 . . . . 0.0 111.512 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.25 -47.09 18.13 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.113 -0.992 . . . . 0.0 110.914 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.666 ' N ' HD12 ' A' ' 22' ' ' LEU . 9.3 mp -80.5 -41.32 24.5 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.891 . . . . 0.0 109.316 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -51.72 -45.47 63.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.715 -0.615 . . . . 0.0 110.318 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -73.94 -47.2 39.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.221 -0.925 . . . . 0.0 110.227 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -58.25 -44.28 88.24 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.246 -0.909 . . . . 0.0 110.243 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.442 HG23 ' CD1' ' A' ' 52' ' ' LEU . 76.3 mt -63.77 -54.34 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.174 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -25.35 64.07 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.294 -0.879 . . . . 0.0 110.221 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -79.98 -50.06 10.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.24 -0.913 . . . . 0.0 110.214 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.812 ' HB3' HD23 ' A' ' 52' ' ' LEU . 4.8 mp -63.36 -34.82 78.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 0.0 110.217 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.11 -40.37 85.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -0.885 . . . . 0.0 110.201 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.45 -30.32 53.95 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 tp -64.81 -28.97 69.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.223 -1.163 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.408 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.14 -60.28 3.83 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.239 -0.913 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.5 mtp -58.23 -31.34 67.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.308 -0.87 . . . . 0.0 110.423 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.93 -76.06 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.316 -0.865 . . . . 0.0 110.424 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.82 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 17.1 m170 -56.42 -48.64 76.57 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.163 -0.961 . . . . 0.0 110.324 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.24 -39.77 31.51 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.177 -0.952 . . . . 0.0 109.9 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -64.03 -33.63 76.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 0.0 109.34 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -91.57 17.55 8.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.403 -0.811 . . . . 0.0 109.663 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mp 55.91 24.26 7.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.462 -0.774 . . . . 0.0 110.963 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -44.5 73.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.125 -0.984 . . . . 0.0 108.89 178.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.648 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 4.5 m-85 48.86 -177.58 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.721 -0.612 . . . . 0.0 111.328 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 36.3 tt0 65.87 -63.41 0.22 Allowed 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.793 0.806 . . . . 0.0 109.043 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 14.7 pt-20 -82.58 -30.63 29.47 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 121.374 0.607 . . . . 0.0 109.727 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.82 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -81.01 -46.65 14.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 111.146 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.663 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -74.88 -19.42 60.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.166 -0.959 . . . . 0.0 111.001 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 28.3 mt-30 -72.18 -38.32 69.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.962 -1.086 . . . . 0.0 110.012 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 48' ' ' ILE . 35.6 mm -50.1 -28.49 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.155 -0.965 . . . . 0.0 109.833 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -54.43 -24.7 21.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.42 -0.8 . . . . 0.0 109.26 179.202 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.27 -33.34 49.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.836 . . . . 0.0 109.832 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.465 ' O ' HD12 ' A' ' 55' ' ' LEU . 26.8 mt-30 -78.18 -41.04 35.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.386 -0.821 . . . . 0.0 109.912 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.812 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.8 -40.9 98.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.343 -0.848 . . . . 0.0 110.105 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -72.18 -42.4 65.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.851 . . . . 0.0 110.138 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -66.19 -37.47 85.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 110.152 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.1 OUTLIER -64.83 -21.74 66.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.324 -0.86 . . . . 0.0 110.226 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -60.47 -64.12 1.06 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 110.151 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 9.9 pt-20 -54.77 -23.76 19.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.257 -0.902 . . . . 0.0 110.155 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -67.67 -20.12 65.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.356 -0.84 . . . . 0.0 110.227 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 17.3 t80 -52.62 -39.97 62.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.232 -0.918 . . . . 0.0 110.231 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mt -75.09 -44.51 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -0.89 . . . . 0.0 110.171 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.53 -24.35 65.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.3 -0.875 . . . . 0.0 110.199 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.306 -0.871 . . . . 0.0 110.139 -179.933 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' B' ' 21' ' ' ALA . 47.1 Cg_endo . . . . . 0 C--O 1.213 -0.727 0 CA-C-O 120.998 0.333 . . . . 0.0 111.711 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? 64.4 -67.75 0.11 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.198 -0.939 . . . . 0.0 111.498 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.3 -47.02 18.39 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.113 -0.992 . . . . 0.0 110.956 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.656 HD12 ' N ' ' B' ' 22' ' ' LEU . 9.3 mp -80.48 -41.24 24.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.295 -0.878 . . . . 0.0 109.35 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -51.73 -45.54 63.66 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.686 -0.634 . . . . 0.0 110.281 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -73.88 -47.26 39.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 110.193 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -58.19 -44.35 88.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.227 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.445 HG23 ' CD1' ' B' ' 52' ' ' LEU . 76.6 mt -63.81 -54.24 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 0.0 110.167 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.39 -25.33 64.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.248 -0.907 . . . . 0.0 110.188 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -80.01 -49.99 11.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.223 -0.923 . . . . 0.0 110.24 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.81 ' HB3' HD23 ' B' ' 52' ' ' LEU . 4.7 mp -63.41 -34.71 78.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.868 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.2 -40.4 85.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.243 -0.911 . . . . 0.0 110.193 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.42 -30.29 54.13 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 tp -64.81 -29.1 70.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -1.154 . . . . 0.0 110.255 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.414 ' HG3' ' HB ' ' B' ' 48' ' ' ILE . 0.0 OUTLIER -62.09 -60.36 3.72 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.285 -0.884 . . . . 0.0 110.281 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 6.5 mtp -58.2 -31.26 67.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.297 -0.877 . . . . 0.0 110.418 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -75.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.24 -0.913 . . . . 0.0 110.433 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.816 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 17.2 m170 -56.33 -48.75 76.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.143 -0.973 . . . . 0.0 110.378 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.22 -39.88 31.56 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.149 -0.969 . . . . 0.0 109.913 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -63.86 -33.57 75.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 109.402 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -91.68 17.65 8.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.421 -0.799 . . . . 0.0 109.735 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mp 55.96 24.16 7.38 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.448 -0.782 . . . . 0.0 110.925 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.63 -44.48 74.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.116 -0.99 . . . . 0.0 108.88 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.663 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 4.3 m-85 48.86 -177.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.771 -0.58 . . . . 0.0 111.263 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.499 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 36.4 tt0 65.97 -63.47 0.23 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 121.766 0.793 . . . . 0.0 109.044 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 42' ' ' PHE . 14.7 pt-20 -82.64 -30.53 29.3 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-O 121.361 0.6 . . . . 0.0 109.727 178.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.816 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.99 -46.53 14.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.336 -0.852 . . . . 0.0 111.113 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.648 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -75.03 -19.54 59.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.95 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 28.3 mt-30 -72.05 -38.39 69.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.902 -1.124 . . . . 0.0 110.052 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.414 ' HB ' ' HG3' ' B' ' 33' ' ' MET . 35.3 mm -50.13 -28.44 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.135 -0.978 . . . . 0.0 109.849 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -54.49 -24.61 21.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.424 -0.798 . . . . 0.0 109.298 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.33 -33.31 49.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.78 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.478 ' O ' HD12 ' B' ' 55' ' ' LEU . 26.7 mt-30 -78.17 -41.0 36.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.344 -0.847 . . . . 0.0 109.985 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.81 HD23 ' HB3' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -62.91 -40.87 98.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.361 -0.837 . . . . 0.0 110.022 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -72.24 -42.36 65.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.306 -0.872 . . . . 0.0 110.177 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' B' ' 57' ' ' GLU . 9.2 mt-30 -66.15 -37.55 85.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.293 -0.879 . . . . 0.0 110.153 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.478 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.1 OUTLIER -64.82 -21.8 66.86 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.223 -0.923 . . . . 0.0 110.169 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -60.31 -64.2 1.03 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 0.0 110.202 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 54' ' ' GLN . 9.8 pt-20 -54.74 -23.74 19.15 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.0 110.146 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 0.2 OUTLIER -67.73 -20.1 65.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -0.887 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' B' ' 59' ' ' PHE . 17.2 t80 -52.55 -39.97 62.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.175 -0.953 . . . . 0.0 110.314 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mt -75.1 -44.49 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.256 -0.903 . . . . 0.0 110.138 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.65 -24.35 65.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.208 -0.932 . . . . 0.0 110.176 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.96 -62.83 1.23 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.249 -0.907 . . . . 0.0 110.266 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.228 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HG2' HD13 ' A' ' 22' ' ' LEU . 46.5 Cg_endo . . . . . 0 C--O 1.214 -0.692 0 CA-C-O 120.955 0.314 . . . . 0.0 111.633 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.39 -67.35 0.11 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.285 -0.884 . . . . 0.0 111.515 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.36 -45.73 17.88 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.114 -0.991 . . . . 0.0 110.927 -179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 22' ' ' LEU . 9.7 mp -80.67 -41.62 23.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -0.926 . . . . 0.0 109.382 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -50.99 -49.06 61.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.652 -0.655 . . . . 0.0 110.471 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 31.9 tp60 -74.28 -30.46 62.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -70.61 -45.38 65.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.22 -0.925 . . . . 0.0 110.242 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.464 HG23 HD13 ' A' ' 52' ' ' LEU . 77.9 mt -69.88 -45.22 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.327 -0.858 . . . . 0.0 110.262 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -67.03 -23.13 65.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.233 -0.917 . . . . 0.0 110.293 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 3.1 mm-40 -80.07 -38.02 32.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 110.308 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HB3' HD23 ' A' ' 52' ' ' LEU . 4.9 mp -77.07 -36.66 55.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 0.0 110.23 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HG2' ' CD2' ' B' ' 40' ' ' LEU . 1.2 tm-20 -54.14 -46.66 72.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.16 -0.963 . . . . 0.0 110.2 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.1 -29.25 72.28 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.83 -40.04 91.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -1.09 . . . . 0.0 110.176 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.51 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 21.0 mtp -51.66 -36.92 48.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.284 -0.885 . . . . 0.0 110.477 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.9 ttm -80.26 -30.89 38.48 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.153 -0.967 . . . . 0.0 110.648 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.77 -81.07 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.2 -0.938 . . . . 0.0 110.874 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -33.38 66.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.07 -1.019 . . . . 0.0 110.304 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 33' ' ' MET . . . -50.84 -39.82 54.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.116 -0.99 . . . . 0.0 110.112 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -58.89 -40.59 84.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.358 -0.839 . . . . 0.0 110.113 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -90.64 17.46 7.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.266 -0.896 . . . . 0.0 110.222 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' CD2' ' HG2' ' B' ' 30' ' ' GLU . 1.6 mp 55.0 21.59 3.85 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.28 -0.888 . . . . 0.0 110.532 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -108.76 21.36 17.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.304 -0.873 . . . . 0.0 109.706 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.859 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -78.29 23.08 0.3 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.233 -0.917 . . . . 0.0 113.415 -178.674 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' HB2' ' CD ' ' B' ' 49' ' ' ARG . 50.5 tt0 -52.93 -57.07 11.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.625 -1.297 . . . . 0.0 107.868 178.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 8.4 pt-20 -81.55 -24.7 36.4 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.859 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -69.23 -50.95 42.52 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.225 -0.922 . . . . 0.0 110.735 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.486 ' HA ' ' CZ ' ' B' ' 42' ' ' PHE . . . -55.99 -27.23 51.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.113 -0.992 . . . . 0.0 110.354 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -56.8 -30.49 63.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.06 -1.025 . . . . 0.0 109.44 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.35 -27.37 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.261 -0.9 . . . . 0.0 109.451 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.433 ' CD ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -53.49 -27.06 23.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.492 -0.755 . . . . 0.0 109.295 179.249 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -76.3 -33.98 59.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 0.0 109.819 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -78.95 -30.84 44.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.311 -0.868 . . . . 0.0 109.894 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD13 HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -63.86 -41.2 97.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.424 -0.797 . . . . 0.0 110.212 179.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 11.9 t-80 -80.19 -26.16 39.35 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.339 -0.85 . . . . 0.0 110.335 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -80.84 -34.78 33.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.034 -1.041 . . . . 0.0 110.479 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -26.52 67.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.258 -0.901 . . . . 0.0 111.157 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -60.98 -24.51 66.17 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.984 -1.073 . . . . 0.0 110.36 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.85 -38.63 61.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.202 -0.936 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -19.81 20.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.325 -0.859 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -48.25 -42.34 30.17 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.256 -0.903 . . . . 0.0 110.551 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.7 mt -75.11 -33.74 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.0 110.249 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.21 -19.06 58.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.226 -0.921 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 110.25 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.468 ' HG2' HD13 ' B' ' 22' ' ' LEU . 46.7 Cg_endo . . . . . 0 C--O 1.214 -0.7 0 CA-C-O 120.936 0.307 . . . . 0.0 111.608 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.55 -67.43 0.11 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.262 -0.899 . . . . 0.0 111.479 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.28 -45.76 17.48 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.156 -0.965 . . . . 0.0 110.992 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.655 HD12 ' N ' ' B' ' 22' ' ' LEU . 9.6 mp -80.7 -41.5 23.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 0.0 109.396 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -51.08 -49.03 61.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.732 -0.605 . . . . 0.0 110.423 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.42 ' O ' ' CG ' ' B' ' 28' ' ' GLU . 31.9 tp60 -74.36 -30.44 62.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.277 -0.89 . . . . 0.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -70.63 -45.34 65.37 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.174 -0.953 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.456 HG23 HD13 ' B' ' 52' ' ' LEU . 77.5 mt -69.76 -45.28 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 0.0 110.327 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -66.96 -23.15 65.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.169 -0.957 . . . . 0.0 110.335 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' B' ' 24' ' ' GLN . 3.2 mm-40 -80.09 -37.91 32.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.202 -0.936 . . . . 0.0 110.308 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.403 ' HB3' HD23 ' B' ' 52' ' ' LEU . 4.8 mp -77.1 -36.81 55.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.11 -0.994 . . . . 0.0 110.13 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.42 ' HG2' ' CD2' ' A' ' 40' ' ' LEU . 1.2 tm-20 -54.02 -46.78 71.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.258 -0.901 . . . . 0.0 110.174 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.95 -29.33 72.48 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.403 ' HB3' HD13 ' B' ' 48' ' ' ILE . 0.9 OUTLIER -60.86 -39.96 91.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.37 -1.076 . . . . 0.0 110.138 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.513 ' O ' ' HB2' ' B' ' 37' ' ' ALA . 20.9 mtp -51.67 -36.97 48.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.33 -0.856 . . . . 0.0 110.418 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.9 ttm -80.24 -30.8 38.56 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.194 -0.941 . . . . 0.0 110.707 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -81.16 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.289 -0.882 . . . . 0.0 110.807 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -33.53 65.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.996 -1.065 . . . . 0.0 110.321 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' B' ' 33' ' ' MET . . . -50.72 -39.88 52.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.205 -0.935 . . . . 0.0 110.097 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -58.95 -40.48 84.85 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.39 -0.818 . . . . 0.0 110.065 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -90.75 17.44 7.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.291 -0.881 . . . . 0.0 110.196 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.433 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 1.6 mp 55.12 21.61 4.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.172 -0.955 . . . . 0.0 110.459 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -108.74 21.36 17.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.252 -0.905 . . . . 0.0 109.652 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.826 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 0.0 OUTLIER -78.35 23.21 0.3 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.254 -0.903 . . . . 0.0 113.369 -178.67 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.433 ' HB2' ' CD ' ' A' ' 49' ' ' ARG . 51.1 tt0 -52.89 -57.14 11.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.58 -1.325 . . . . 0.0 107.87 177.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 8.4 pt-20 -81.57 -24.68 36.36 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.826 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -69.27 -50.85 43.15 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.178 -0.951 . . . . 0.0 110.801 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . . . -56.08 -27.15 52.43 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.134 -0.979 . . . . 0.0 110.349 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -56.84 -30.45 63.79 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.026 -1.046 . . . . 0.0 109.437 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.403 HD13 ' HB3' ' B' ' 32' ' ' LEU . 96.6 mt -53.43 -27.22 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.324 -0.86 . . . . 0.0 109.491 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.424 ' CD ' ' HB2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -53.63 -26.91 24.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.515 -0.741 . . . . 0.0 109.334 179.261 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -76.38 -33.98 58.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.357 -0.839 . . . . 0.0 109.845 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -78.91 -30.9 45.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.291 -0.881 . . . . 0.0 109.912 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.456 HD13 HG23 ' B' ' 26' ' ' ILE . 0.2 OUTLIER -63.84 -41.27 97.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.339 -0.851 . . . . 0.0 110.117 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 12.0 t-80 -80.09 -26.24 39.66 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 110.424 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -80.69 -34.88 34.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 110.51 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -26.46 67.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.23 -0.919 . . . . 0.0 111.102 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 53' ' ' HIS . 0.1 OUTLIER -61.05 -24.5 66.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.067 -1.021 . . . . 0.0 110.367 -179.634 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.76 -38.65 62.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 110.086 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -19.79 20.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.262 -0.899 . . . . 0.0 110.379 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -48.27 -42.32 30.34 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.225 -0.922 . . . . 0.0 110.624 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 53.2 mt -75.19 -33.73 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.168 -0.957 . . . . 0.0 110.165 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.2 -19.01 58.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.244 -0.91 . . . . 0.0 110.317 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.38 -55.95 2.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.221 -0.925 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.172 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.467 ' HG2' ' HB3' ' A' ' 22' ' ' LEU . 50.5 Cg_endo . . . . . 0 N--CA 1.487 1.129 0 CA-C-O 121.022 0.342 . . . . 0.0 111.686 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.65 -66.68 0.15 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.184 -0.947 . . . . 0.0 111.114 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -51.13 -62.86 1.36 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.988 -1.07 . . . . 0.0 110.364 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.907 HD11 HD11 ' A' ' 26' ' ' ILE . 2.7 tp -62.3 -56.97 13.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.365 -0.834 . . . . 0.0 109.51 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.556 ' HA ' HD12 ' A' ' 26' ' ' ILE . 4.9 tt0 -48.23 -42.53 30.53 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.312 -0.867 . . . . 0.0 110.451 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.06 -36.58 84.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.244 -0.91 . . . . 0.0 109.854 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -48.67 59.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.316 -0.865 . . . . 0.0 109.992 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.907 HD11 HD11 ' A' ' 22' ' ' LEU . 41.8 mt -52.86 -56.53 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.908 . . . . 0.0 110.079 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -55.16 -22.42 17.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 110.118 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -37.42 34.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.101 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.431 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . 26.7 mt -77.16 -41.53 41.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 110.043 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.518 ' OE2' HD21 ' B' ' 40' ' ' LEU . 1.2 tm-20 -62.77 -44.88 95.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.284 -0.885 . . . . 0.0 109.913 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.82 -34.7 90.65 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tp -65.64 -34.1 77.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.224 -1.162 . . . . 0.0 109.934 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.673 ' HE1' HD23 ' B' ' 40' ' ' LEU . 1.6 mtp -59.67 -61.16 2.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.306 -0.871 . . . . 0.0 110.165 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 mtt -47.49 -42.03 22.08 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.389 -0.819 . . . . 0.0 110.779 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.76 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.167 -0.958 . . . . 0.0 110.224 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.475 ' CB ' ' CB ' ' A' ' 45' ' ' ALA . 72.1 m80 -51.36 -51.96 49.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.341 -0.849 . . . . 0.0 110.609 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.005 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -48.35 -32.5 7.57 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.278 -0.889 . . . . 0.0 110.122 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -75.16 -36.24 61.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.666 ' C ' HD12 ' A' ' 40' ' ' LEU . 4.3 m120 -94.78 23.96 5.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.457 -0.777 . . . . 0.0 109.727 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.666 HD12 ' C ' ' A' ' 39' ' ' ASN . 5.0 mp 55.73 30.56 15.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.425 -0.797 . . . . 0.0 110.654 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -109.25 17.65 21.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.177 -0.952 . . . . 0.0 110.04 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.008 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.0 p90 -61.82 -7.58 3.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.396 -0.815 . . . . 0.0 112.044 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -50.33 -67.77 0.23 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.501 -1.374 . . . . 0.0 109.204 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 2.2 pt-20 -81.54 -19.57 41.81 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.578 -0.701 . . . . 0.0 109.725 178.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 1.008 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -76.84 -50.22 13.92 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.404 -0.81 . . . . 0.0 111.224 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.647 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -50.24 -25.79 4.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.103 -0.998 . . . . 0.0 110.401 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -50.96 -25.66 4.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.005 -1.06 . . . . 0.0 109.756 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.709 HG22 HD23 ' A' ' 52' ' ' LEU . 43.0 mt -65.0 -29.08 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.441 -0.787 . . . . 0.0 109.749 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -48.66 -28.01 3.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.307 -0.871 . . . . 0.0 110.267 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.14 -45.17 23.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.397 -0.814 . . . . 0.0 109.712 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.872 ' O ' HD12 ' A' ' 55' ' ' LEU . 15.9 mt-30 -68.22 -37.11 80.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.3 -0.875 . . . . 0.0 109.851 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.709 HD23 HG22 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -62.4 -41.95 99.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.342 -0.849 . . . . 0.0 110.114 179.798 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.402 ' O ' ' HB3' ' A' ' 56' ' ' ARG . 66.7 m170 -69.91 -48.27 59.25 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.316 -0.865 . . . . 0.0 110.193 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.66 -44.73 96.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.201 -0.937 . . . . 0.0 110.217 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.872 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -62.84 -28.48 70.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -0.888 . . . . 0.0 110.195 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 53' ' ' HIS . 18.8 ttt-85 -56.58 -60.45 3.52 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.283 -0.886 . . . . 0.0 110.16 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.7 pt-20 -59.57 -22.87 62.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.897 . . . . 0.0 110.106 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 2.8 mt -72.4 -19.95 61.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 0.0 110.307 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.33 -45.62 65.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.0 mt -73.39 -36.23 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.2 -0.938 . . . . 0.0 110.177 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.41 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -72.97 -20.29 61.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 110.197 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.444 ' HG2' ' HB3' ' B' ' 22' ' ' LEU . 50.1 Cg_endo . . . . . 0 N--CA 1.487 1.104 0 CA-C-O 121.026 0.344 . . . . 0.0 111.649 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' B' ' 24' ' ' GLN . 0.0 OUTLIER 65.67 -66.8 0.15 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.17 -0.956 . . . . 0.0 111.019 179.716 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -51.1 -62.8 1.39 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.067 -1.021 . . . . 0.0 110.334 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.916 HD11 HD11 ' B' ' 26' ' ' ILE . 2.6 tp -62.35 -57.01 12.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.862 . . . . 0.0 109.516 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 0.551 ' HA ' HD12 ' B' ' 26' ' ' ILE . 4.9 tt0 -48.16 -42.51 29.77 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.346 -0.846 . . . . 0.0 110.537 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 20' ' ' LYS . 1.4 tm0? -64.03 -36.75 85.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.207 -0.933 . . . . 0.0 109.8 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -48.72 59.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.34 -0.85 . . . . 0.0 109.938 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.916 HD11 HD11 ' B' ' 22' ' ' LEU . 41.6 mt -52.8 -56.48 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 110.089 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -55.26 -22.32 17.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 110.118 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.88 -37.37 34.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.215 -0.928 . . . . 0.0 110.162 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.424 ' HB3' ' CD2' ' B' ' 52' ' ' LEU . 26.8 mt -77.24 -41.58 40.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.027 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.447 ' OE2' HD21 ' A' ' 40' ' ' LEU . 1.2 tm-20 -62.7 -44.81 95.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -0.885 . . . . 0.0 109.968 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.96 -34.67 90.55 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tp -65.62 -34.04 77.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.313 -1.11 . . . . 0.0 109.949 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.565 ' HE1' HD23 ' A' ' 40' ' ' LEU . 1.6 mtp -59.74 -61.17 2.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.348 -0.845 . . . . 0.0 110.123 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mtt -47.44 -42.02 21.59 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.372 -0.83 . . . . 0.0 110.878 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.72 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.281 -0.887 . . . . 0.0 110.178 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.471 ' CB ' ' CB ' ' B' ' 45' ' ' ALA . 71.8 m80 -51.3 -52.07 48.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.386 -0.821 . . . . 0.0 110.565 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 1.005 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -48.28 -32.49 7.37 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.226 -0.921 . . . . 0.0 110.097 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -75.25 -36.19 61.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -0.856 . . . . 0.0 109.492 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . 0.671 ' C ' HD12 ' B' ' 40' ' ' LEU . 4.2 m120 -94.73 23.84 5.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.501 -0.749 . . . . 0.0 109.73 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.673 HD23 ' HE1' ' A' ' 33' ' ' MET . 5.0 mp 55.74 30.66 16.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.521 -0.737 . . . . 0.0 110.673 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -109.35 17.53 21.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.159 -0.963 . . . . 0.0 110.009 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 1.005 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 5.0 p90 -61.66 -7.81 3.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.443 -0.786 . . . . 0.0 112.026 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -50.21 -67.73 0.23 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.448 -1.407 . . . . 0.0 109.188 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 2.2 pt-20 -81.64 -19.46 41.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.444 -0.785 . . . . 0.0 109.684 178.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 1.005 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -76.91 -50.46 13.24 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.33 -0.856 . . . . 0.0 111.269 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.668 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -49.91 -26.05 3.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.114 -0.991 . . . . 0.0 110.359 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -50.75 -25.7 4.7 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.079 -1.013 . . . . 0.0 109.782 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.707 HG22 HD23 ' B' ' 52' ' ' LEU . 43.0 mt -65.13 -28.97 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.471 -0.768 . . . . 0.0 109.667 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.8 OUTLIER -48.6 -28.13 3.25 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.286 -0.884 . . . . 0.0 110.257 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.21 -45.2 23.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.373 -0.83 . . . . 0.0 109.625 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.871 ' O ' HD12 ' B' ' 55' ' ' LEU . 16.0 mt-30 -68.18 -37.04 80.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 109.852 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.707 HD23 HG22 ' B' ' 48' ' ' ILE . 0.5 OUTLIER -62.47 -41.92 99.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.302 -0.874 . . . . 0.0 110.108 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -69.87 -48.29 59.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 0.0 110.196 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.7 -44.77 96.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.198 -0.939 . . . . 0.0 110.128 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.871 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.5 OUTLIER -62.78 -28.55 70.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.255 -0.903 . . . . 0.0 110.176 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -56.56 -60.42 3.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -0.911 . . . . 0.0 110.113 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.7 pt-20 -59.55 -22.98 62.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.237 -0.914 . . . . 0.0 110.068 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 2.9 mt -72.31 -19.96 61.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.26 -0.9 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.34 -45.63 65.74 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 54.8 mt -73.44 -36.27 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 110.154 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.8 -20.37 61.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.226 -0.921 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.48 -62.24 1.53 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.159 -0.963 . . . . 0.0 110.226 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.209 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' A' ' 22' ' ' LEU . 45.5 Cg_endo . . . . . 0 C--O 1.214 -0.678 0 CA-C-O 120.927 0.303 . . . . 0.0 111.649 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.14 -67.45 0.11 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.321 -0.862 . . . . 0.0 111.608 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.02 -46.34 16.5 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.175 -0.953 . . . . 0.0 110.972 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.669 ' N ' HD12 ' A' ' 22' ' ' LEU . 8.7 mp -80.62 -44.87 18.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.881 . . . . 0.0 109.486 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -52.08 -38.08 56.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.684 -0.635 . . . . 0.0 110.367 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -77.67 -41.65 37.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.203 -0.935 . . . . 0.0 110.39 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -72.5 -40.23 67.04 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.249 -0.907 . . . . 0.0 110.282 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.467 HD11 ' HB3' ' A' ' 22' ' ' LEU . 85.7 mt -66.56 -42.91 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.887 . . . . 0.0 110.31 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -76.88 -20.04 56.73 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 110.39 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 16.2 mm-40 -79.07 -53.49 6.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.185 -0.947 . . . . 0.0 110.328 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.543 HD22 HD12 ' A' ' 48' ' ' ILE . 25.2 mt -64.02 -27.64 69.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.222 -0.924 . . . . 0.0 110.282 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.44 -35.36 80.66 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.241 -0.912 . . . . 0.0 110.287 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.79 -23.3 69.98 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.64 -28.75 67.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.138 -1.213 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.539 ' CE ' HD23 ' B' ' 40' ' ' LEU . 5.0 mtp -61.44 -64.59 0.9 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.197 -0.94 . . . . 0.0 110.275 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.7 tpp -60.53 -31.4 70.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.271 -0.893 . . . . 0.0 110.297 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -54.74 -76.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.229 -0.92 . . . . 0.0 110.274 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.821 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 19.9 m170 -59.53 -44.19 93.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 110.249 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.17 -39.11 27.92 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.103 -0.998 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' GLN . 0.1 OUTLIER -59.75 -35.51 74.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.336 -0.853 . . . . 0.0 109.402 179.492 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.39 17.9 7.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.387 -0.82 . . . . 0.0 109.703 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.711 HD23 ' CE ' ' B' ' 33' ' ' MET . 7.2 mp 55.03 23.93 5.58 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.402 -0.811 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 36' ' ' HIS . 7.1 mm-40 -66.83 -44.22 81.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.984 . . . . 0.0 108.986 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.593 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 6.3 m-85 48.2 -175.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.634 -0.667 . . . . 0.0 111.198 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.504 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 31.4 tt0 65.94 -63.27 0.23 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.717 0.77 . . . . 0.0 109.027 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.47 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 15.8 pt-20 -82.67 -33.28 27.77 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.301 0.572 . . . . 0.0 109.921 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.821 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -81.12 -43.25 19.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.31 -0.868 . . . . 0.0 111.476 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.616 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -78.0 -26.17 48.41 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.09 -1.006 . . . . 0.0 111.367 -178.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 7.4 mm100 -65.1 -32.81 74.7 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.907 -1.121 . . . . 0.0 109.855 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.543 HD12 HD22 ' A' ' 29' ' ' LEU . 38.6 mm -51.97 -28.38 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.218 -0.926 . . . . 0.0 109.772 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -54.7 -27.58 41.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.375 -0.828 . . . . 0.0 109.365 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -77.87 -34.09 51.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 0.0 109.931 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.482 ' O ' HD12 ' A' ' 55' ' ' LEU . 27.0 mt-30 -80.06 -40.03 28.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 110.068 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -63.78 -44.05 94.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.249 -0.907 . . . . 0.0 110.145 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -66.69 -40.03 88.33 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 110.145 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.66 -42.08 82.75 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.12 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -68.31 -22.08 64.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.212 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -56.43 -51.21 69.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.29 -0.881 . . . . 0.0 110.214 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' O ' HD12 ' A' ' 60' ' ' ILE . 2.0 tp10 -61.18 -35.3 76.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.24 -0.913 . . . . 0.0 110.244 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -56.39 -24.06 42.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.206 -0.934 . . . . 0.0 110.219 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 21.6 t80 -54.05 -31.68 52.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 0.0 110.151 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 57' ' ' GLU . 4.2 mt -79.95 -28.97 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.514 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -68.65 -21.64 64.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.202 -0.936 . . . . 0.0 110.22 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 110.246 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.457 ' HG2' ' HB2' ' B' ' 22' ' ' LEU . 45.5 Cg_endo . . . . . 0 C--O 1.214 -0.711 0 CA-C-O 121.05 0.354 . . . . 0.0 111.677 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 -67.56 0.1 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.251 -0.906 . . . . 0.0 111.632 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.97 -46.45 16.32 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.168 -0.957 . . . . 0.0 110.914 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.669 HD12 ' N ' ' B' ' 22' ' ' LEU . 8.7 mp -80.44 -44.99 18.36 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.23 -0.919 . . . . 0.0 109.526 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -52.05 -38.05 55.73 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.648 -0.658 . . . . 0.0 110.381 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' B' ' 28' ' ' GLU . 0.0 OUTLIER -77.75 -41.68 36.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.183 -0.948 . . . . 0.0 110.297 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -72.47 -40.26 67.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.164 -0.96 . . . . 0.0 110.305 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.465 HD11 ' HB3' ' B' ' 22' ' ' LEU . 86.0 mt -66.53 -42.96 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.208 -0.933 . . . . 0.0 110.314 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -76.79 -20.05 56.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 110.427 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' B' ' 24' ' ' GLN . 16.0 mm-40 -79.23 -53.38 7.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.912 . . . . 0.0 110.31 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.543 HD22 HD12 ' B' ' 48' ' ' ILE . 25.1 mt -64.03 -27.61 69.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.353 -0.842 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.36 -35.35 80.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.154 -0.966 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.9 -23.17 70.01 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.75 -28.81 67.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.198 -1.178 . . . . 0.0 110.3 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.711 ' CE ' HD23 ' A' ' 40' ' ' LEU . 5.0 mtp -61.3 -64.72 0.86 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.258 -0.901 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 41.6 tpp -60.41 -31.39 70.34 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 110.313 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -76.9 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.181 -0.949 . . . . 0.0 110.304 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.821 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 20.1 m170 -59.59 -44.11 93.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.148 -0.97 . . . . 0.0 110.31 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.23 -39.12 28.79 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.177 -0.952 . . . . 0.0 110.014 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -35.44 74.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.952 . . . . 0.0 109.395 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.41 17.99 7.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.482 -0.761 . . . . 0.0 109.713 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.674 HD12 ' N ' ' B' ' 40' ' ' LEU . 7.2 mp 54.94 23.92 5.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.388 -0.82 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -66.75 -44.18 82.17 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.235 -0.916 . . . . 0.0 109.084 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.616 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 6.4 m-85 48.21 -175.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.745 -0.597 . . . . 0.0 111.241 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 31.5 tt0 65.88 -63.23 0.23 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.769 0.795 . . . . 0.0 109.083 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' B' ' 42' ' ' PHE . 15.8 pt-20 -82.86 -33.16 27.13 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 121.755 -0.591 . . . . 0.0 109.916 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.821 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -81.11 -43.12 19.9 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.282 -0.887 . . . . 0.0 111.458 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.593 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -78.06 -26.4 48.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.121 -0.987 . . . . 0.0 111.364 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 7.4 mm100 -64.99 -32.73 74.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.871 -1.143 . . . . 0.0 109.894 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.543 HD12 HD22 ' B' ' 29' ' ' LEU . 38.5 mm -52.11 -28.35 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.224 -0.923 . . . . 0.0 109.712 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -54.63 -27.66 41.23 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.495 -0.753 . . . . 0.0 109.358 179.262 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -77.83 -34.06 52.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.287 -0.883 . . . . 0.0 109.944 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.5 ' O ' HD12 ' B' ' 55' ' ' LEU . 27.0 mt-30 -80.05 -40.05 28.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 110.051 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' B' ' 52' ' ' LEU . 0.1 OUTLIER -63.84 -44.1 94.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.236 -0.915 . . . . 0.0 110.092 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -66.72 -39.95 88.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.278 -0.889 . . . . 0.0 110.112 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.76 -41.96 82.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 110.15 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.5 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.5 OUTLIER -68.41 -22.07 64.64 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.933 . . . . 0.0 110.109 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -56.47 -51.13 69.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.301 -0.874 . . . . 0.0 110.212 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.47 ' O ' HD12 ' B' ' 60' ' ' ILE . 2.0 tp10 -61.23 -35.32 76.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.925 . . . . 0.0 110.198 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' B' ' 61' ' ' ALA . 0.5 OUTLIER -56.39 -24.04 42.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.15 -0.968 . . . . 0.0 110.205 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -54.04 -31.69 52.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.252 -0.905 . . . . 0.0 110.172 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.47 HD12 ' O ' ' B' ' 57' ' ' GLU . 4.2 mt -80.06 -28.93 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.3 -0.875 . . . . 0.0 110.168 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.507 ' HB3' HD23 ' B' ' 58' ' ' LEU . . . -68.62 -21.6 64.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 0.0 110.282 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.404 ' HB3' ' HG3' ' B' ' 19' ' ' PRO . . . -103.67 -64.2 1.12 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.209 -0.932 . . . . 0.0 110.194 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.16 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' ALA . 50.3 Cg_endo . . . . . 0 C--O 1.215 -0.635 0 CA-C-O 120.888 0.287 . . . . 0.0 111.543 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.11 -66.33 0.17 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.082 -1.011 . . . . 0.0 110.85 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.73 -51.38 22.27 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.2 -0.937 . . . . 0.0 110.373 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.901 HD11 HD11 ' A' ' 26' ' ' ILE . 3.6 tp -68.8 -58.03 4.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.377 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -46.39 -53.32 11.21 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.485 -0.76 . . . . 0.0 110.602 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -34.29 70.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.295 -0.878 . . . . 0.0 110.222 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -69.72 -52.1 28.51 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.239 -0.913 . . . . 0.0 110.136 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.901 HD11 HD11 ' A' ' 22' ' ' LEU . 43.5 mt -53.46 -55.91 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.265 -0.897 . . . . 0.0 110.238 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.87 -24.13 61.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.09 -50.01 15.88 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.296 -0.878 . . . . 0.0 110.251 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HB2' HD21 ' A' ' 52' ' ' LEU . 56.4 mt -69.68 -38.96 77.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.236 -0.915 . . . . 0.0 110.209 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.49 -50.36 73.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.246 -0.909 . . . . 0.0 110.234 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.8 -34.35 88.39 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.45 -26.57 60.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.282 -1.128 . . . . 0.0 110.21 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.738 ' CE ' HD21 ' B' ' 40' ' ' LEU . 6.6 tmm? -79.83 -27.2 40.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.26 -0.9 . . . . 0.0 110.308 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 mmt -78.3 -48.8 14.9 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.085 -1.009 . . . . 0.0 110.462 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.427 ' HG3' ' ND1' ' A' ' 36' ' ' HIS . 4.3 pt20 -51.66 -33.2 32.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.196 -0.94 . . . . 0.0 110.468 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.799 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 4.9 m-70 -76.65 -63.66 1.29 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.263 -0.898 . . . . 0.0 110.14 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -47.82 -36.41 11.8 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.265 -0.897 . . . . 0.0 109.982 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -70.71 -34.14 71.61 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.415 -0.803 . . . . 0.0 109.461 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -92.77 20.33 6.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.452 -0.78 . . . . 0.0 109.67 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.622 HD21 ' CE ' ' B' ' 33' ' ' MET . 0.2 OUTLIER 58.32 24.38 11.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.414 -0.804 . . . . 0.0 110.895 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 2.1 mm-40 -70.0 -49.25 53.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.168 -0.958 . . . . 0.0 108.999 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.711 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 4.3 m-85 48.97 -177.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.562 -0.712 . . . . 0.0 111.109 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 28.0 tt0 66.04 -62.66 0.25 Allowed 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.724 0.773 . . . . 0.0 109.156 -178.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.47 ' OE2' ' CD2' ' A' ' 36' ' ' HIS . 24.9 pt-20 -82.43 -29.54 30.66 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.729 -0.607 . . . . 0.0 109.744 178.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 36' ' ' HIS . . . -80.51 -47.52 14.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -0.851 . . . . 0.0 111.15 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.719 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -68.93 -19.85 64.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.156 -0.965 . . . . 0.0 110.784 -178.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 43' ' ' GLU . 1.4 mp0 -79.1 -50.94 10.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.981 -1.074 . . . . 0.0 109.68 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.6 mt -51.19 -30.97 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.167 -0.958 . . . . 0.0 109.31 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HG3' HD23 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -55.81 -23.87 32.73 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.41 ' HB2' ' NH2' ' A' ' 49' ' ' ARG . 9.2 t0 -79.51 -35.39 40.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.312 -0.868 . . . . 0.0 109.815 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.587 ' O ' HD12 ' A' ' 55' ' ' LEU . 17.9 mt-30 -69.25 -41.02 77.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.324 -0.86 . . . . 0.0 109.959 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.821 ' CD1' HG23 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -54.8 -37.69 66.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.271 -0.893 . . . . 0.0 109.995 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.08 -55.06 20.97 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.241 -0.912 . . . . 0.0 110.026 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 2.7 mt-30 -57.71 -40.97 80.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 0.0 110.029 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -55.14 -28.84 55.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 0.0 110.081 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -58.36 -63.2 1.36 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.874 . . . . 0.0 110.027 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.5 pt-20 -57.33 -23.64 50.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.912 . . . . 0.0 110.084 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -63.45 -19.76 65.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 110.329 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 17.7 t80 -48.62 -36.41 15.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.239 -0.913 . . . . 0.0 110.553 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 58.4 mt -72.89 -36.86 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.97 . . . . 0.0 110.104 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.91 -20.37 61.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -0.906 . . . . 0.0 110.14 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.218 -0.926 . . . . 0.0 110.226 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.418 ' HG2' ' HB3' ' B' ' 22' ' ' LEU . 50.2 Cg_endo . . . . . 0 C--O 1.214 -0.684 0 CA-C-O 120.784 0.244 . . . . 0.0 111.518 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.14 -66.33 0.17 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.156 -0.965 . . . . 0.0 110.847 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.67 -51.49 21.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.245 -0.909 . . . . 0.0 110.359 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.894 HD11 HD11 ' B' ' 26' ' ' ILE . 3.6 tp -68.78 -57.99 4.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.413 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -46.42 -53.23 11.47 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.581 -0.7 . . . . 0.0 110.7 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -34.26 70.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.359 -0.838 . . . . 0.0 110.207 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -69.82 -51.99 28.91 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.269 -0.894 . . . . 0.0 110.148 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.894 HD11 HD11 ' B' ' 22' ' ' LEU . 43.4 mt -53.53 -55.9 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.213 -0.93 . . . . 0.0 110.239 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.83 -24.15 61.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.218 -0.926 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.17 -49.92 15.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.229 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.423 ' HB2' HD21 ' B' ' 52' ' ' LEU . 56.3 mt -69.73 -38.9 77.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.301 -0.874 . . . . 0.0 110.222 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.47 -50.44 73.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.225 -0.922 . . . . 0.0 110.216 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.22 88.02 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.56 -26.5 60.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.278 -1.13 . . . . 0.0 110.184 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.622 ' CE ' HD21 ' A' ' 40' ' ' LEU . 6.8 tmm? -79.69 -27.28 40.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 1.5 mmt -78.2 -48.96 14.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.183 -0.948 . . . . 0.0 110.418 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.43 ' HG3' ' ND1' ' B' ' 36' ' ' HIS . 4.3 pt20 -51.58 -33.26 31.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.17 -0.956 . . . . 0.0 110.445 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.792 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 4.9 m-70 -76.57 -63.71 1.28 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.215 -0.928 . . . . 0.0 110.151 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -47.78 -36.5 11.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.278 -0.889 . . . . 0.0 109.992 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -70.67 -34.12 71.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.442 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -92.86 20.42 6.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.459 -0.776 . . . . 0.0 109.641 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.738 HD21 ' CE ' ' A' ' 33' ' ' MET . 0.2 OUTLIER 58.28 24.39 11.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.392 -0.818 . . . . 0.0 110.93 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.453 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 2.1 mm-40 -70.04 -49.35 52.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.104 -0.998 . . . . 0.0 109.007 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.719 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 4.4 m-85 49.04 -177.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.607 -0.683 . . . . 0.0 111.089 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 28.0 tt0 66.08 -62.7 0.25 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.738 0.78 . . . . 0.0 109.151 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' B' ' 42' ' ' PHE . 24.9 pt-20 -82.4 -29.56 30.74 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.312 0.577 . . . . 0.0 109.743 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.792 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.47 -47.8 13.76 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.4 -0.813 . . . . 0.0 111.223 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.711 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -68.77 -19.88 64.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.071 -1.018 . . . . 0.0 110.784 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' B' ' 43' ' ' GLU . 1.4 mp0 -78.87 -51.1 10.17 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.983 -1.073 . . . . 0.0 109.707 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.6 mt -51.04 -30.97 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.211 -0.931 . . . . 0.0 109.321 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.419 ' NH2' ' HB2' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -55.81 -23.86 32.7 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.419 ' HB2' ' NH2' ' B' ' 49' ' ' ARG . 9.2 t0 -79.43 -35.6 40.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.306 -0.871 . . . . 0.0 109.812 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.589 ' O ' HD12 ' B' ' 55' ' ' LEU . 17.9 mt-30 -69.28 -40.96 77.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.281 -0.887 . . . . 0.0 109.922 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.823 ' CD1' HG23 ' B' ' 26' ' ' ILE . 1.0 OUTLIER -54.79 -37.65 66.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.294 -0.879 . . . . 0.0 109.978 179.795 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.23 -54.92 22.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.33 -0.856 . . . . 0.0 110.023 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' B' ' 57' ' ' GLU . 2.7 mt-30 -57.73 -41.09 81.12 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.268 -0.895 . . . . 0.0 110.002 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.589 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.3 OUTLIER -55.02 -28.82 55.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.335 -0.853 . . . . 0.0 110.061 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -58.44 -63.08 1.4 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.27 -0.894 . . . . 0.0 110.046 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.5 pt-20 -57.5 -23.62 51.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.221 -0.924 . . . . 0.0 109.95 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 0.4 OUTLIER -63.45 -19.77 65.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.357 -0.84 . . . . 0.0 110.305 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' B' ' 59' ' ' PHE . 17.5 t80 -48.52 -36.45 15.31 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.197 -0.939 . . . . 0.0 110.568 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 58.8 mt -72.99 -36.81 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.303 -0.873 . . . . 0.0 110.031 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.82 -20.41 61.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.0 110.192 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.9 -61.21 1.53 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.178 -0.951 . . . . 0.0 110.202 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.185 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.641 ' HG3' HD23 ' A' ' 22' ' ' LEU . 43.8 Cg_endo . . . . . 0 N--CA 1.486 1.042 0 CA-C-O 121.07 0.362 . . . . 0.0 111.338 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? 63.59 -70.48 0.07 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.471 -0.768 . . . . 0.0 110.863 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -53.38 -60.38 3.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.866 -1.146 . . . . 0.0 109.771 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.976 HD11 HD11 ' A' ' 26' ' ' ILE . 4.0 tp -55.33 -61.16 2.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.416 -0.803 . . . . 0.0 109.215 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -49.05 -42.96 40.25 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.373 -0.83 . . . . 0.0 110.307 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -67.03 -32.89 74.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.918 . . . . 0.0 109.981 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -72.6 -48.51 39.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.323 -0.86 . . . . 0.0 110.068 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.976 HD11 HD11 ' A' ' 22' ' ' LEU . 80.0 mt -54.16 -54.45 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.207 -0.933 . . . . 0.0 109.952 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -23.8 65.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 110.033 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -79.95 -49.91 11.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.242 -0.911 . . . . 0.0 110.221 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HB3' HD23 ' A' ' 52' ' ' LEU . 4.4 mp -61.01 -44.68 97.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.148 -0.97 . . . . 0.0 110.123 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.8 -46.49 74.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.253 -0.904 . . . . 0.0 110.088 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.32 -30.57 73.55 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.37 -25.77 65.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.289 -1.124 . . . . 0.0 110.111 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.672 ' CE ' HD23 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -63.52 -60.5 3.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.872 . . . . 0.0 110.085 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.7 tpp -60.91 -30.99 70.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.327 -0.858 . . . . 0.0 110.173 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -76.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.331 -0.856 . . . . 0.0 110.391 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.852 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 10.6 m170 -54.87 -46.23 74.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.197 -0.94 . . . . 0.0 110.11 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.95 -41.25 61.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.194 -0.941 . . . . 0.0 109.881 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -36.17 71.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 109.38 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -91.55 18.55 7.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 0.0 109.682 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.654 HD23 ' CE ' ' B' ' 33' ' ' MET . 6.8 mp 55.27 24.27 6.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.44 -0.788 . . . . 0.0 110.772 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.72 -44.59 77.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.924 . . . . 0.0 109.118 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.696 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 9.6 m-85 49.52 -178.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.572 -0.705 . . . . 0.0 111.077 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 29.3 tt0 66.25 -62.58 0.26 Allowed 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 121.693 0.759 . . . . 0.0 109.047 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 14.7 pt-20 -82.55 -31.01 29.31 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-O 121.325 0.584 . . . . 0.0 109.751 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.852 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -80.7 -44.98 17.87 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.292 -0.88 . . . . 0.0 111.166 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.706 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -77.22 -19.63 56.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.176 -0.953 . . . . 0.0 111.113 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 8.3 mm100 -70.56 -36.62 73.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.956 -1.09 . . . . 0.0 110.001 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.0 mt -51.3 -28.67 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.268 -0.895 . . . . 0.0 109.899 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -53.64 -24.35 13.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.423 -0.798 . . . . 0.0 109.33 179.277 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.41 ' CB ' ' NH2' ' A' ' 49' ' ' ARG . 13.3 t0 -78.89 -32.53 45.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.329 -0.857 . . . . 0.0 109.802 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -80.13 -46.7 15.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.301 -0.875 . . . . 0.0 109.977 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -59.38 -37.17 77.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.29 -0.881 . . . . 0.0 110.063 179.824 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.1 -51.67 67.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.887 . . . . 0.0 110.09 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -37.19 64.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -0.848 . . . . 0.0 110.102 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.86 -34.64 78.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 0.0 110.131 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -53.59 -56.8 14.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.322 -0.861 . . . . 0.0 110.062 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.48 -39.04 82.43 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.265 -0.897 . . . . 0.0 109.886 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -53.24 -22.82 7.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 0.0 110.176 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.771 ' HA ' HD21 ' A' ' 22' ' ' LEU . 29.1 t80 -52.21 -54.19 34.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.246 -0.908 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.2 -38.61 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.196 -0.94 . . . . 0.0 110.173 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 58' ' ' LEU . . . -55.76 -22.82 26.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.23 -0.919 . . . . 0.0 110.186 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.229 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.633 ' HG3' HD23 ' B' ' 22' ' ' LEU . 44.0 Cg_endo . . . . . 0 N--CA 1.486 1.052 0 CA-C-O 121.023 0.343 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? 63.6 -70.52 0.07 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.47 -0.769 . . . . 0.0 110.797 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -53.26 -60.47 3.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.923 -1.111 . . . . 0.0 109.794 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.986 HD11 HD11 ' B' ' 26' ' ' ILE . 4.0 tp -55.36 -61.16 2.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.342 -0.849 . . . . 0.0 109.163 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -49.04 -42.88 39.87 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.459 -0.775 . . . . 0.0 110.321 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -67.04 -32.98 74.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.268 -0.895 . . . . 0.0 109.844 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -72.67 -48.38 39.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.327 -0.858 . . . . 0.0 110.085 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.986 HD11 HD11 ' B' ' 22' ' ' LEU . 80.1 mt -54.34 -54.33 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 0.0 109.908 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -23.7 65.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.281 -0.887 . . . . 0.0 110.007 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.04 -49.88 11.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.317 -0.864 . . . . 0.0 110.159 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.433 ' HB3' HD23 ' B' ' 52' ' ' LEU . 4.4 mp -61.02 -44.65 97.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.92 . . . . 0.0 110.116 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.87 -46.46 74.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.293 -0.879 . . . . 0.0 110.081 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.32 -30.51 73.52 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.51 -25.69 65.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -1.12 . . . . 0.0 110.108 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.654 ' CE ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -63.44 -60.6 3.15 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.289 -0.882 . . . . 0.0 110.088 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 37.5 tpp -60.84 -31.03 70.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 0.0 110.143 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -76.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.268 -0.895 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.837 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 10.6 m170 -54.8 -46.35 74.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.09 -1.006 . . . . 0.0 110.06 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.86 -41.28 61.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.148 -0.97 . . . . 0.0 109.841 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -36.17 71.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.324 -0.86 . . . . 0.0 109.372 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -91.6 18.58 7.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.672 HD23 ' CE ' ' A' ' 33' ' ' MET . 6.8 mp 55.26 24.39 6.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.459 -0.776 . . . . 0.0 110.682 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' B' ' 36' ' ' HIS . 2.2 mm-40 -67.73 -44.72 76.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.307 -0.871 . . . . 0.0 109.039 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.706 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 9.6 m-85 49.47 -178.03 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.588 -0.695 . . . . 0.0 111.026 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.502 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 29.3 tt0 66.13 -62.48 0.26 Allowed 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.7 0.762 . . . . 0.0 109.091 -178.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' B' ' 42' ' ' PHE . 14.7 pt-20 -82.55 -30.98 29.32 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.368 0.604 . . . . 0.0 109.78 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.837 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.71 -45.04 17.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 0.0 111.184 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.696 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -77.23 -19.58 56.44 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.186 -0.946 . . . . 0.0 111.076 -178.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 8.3 mm100 -70.55 -36.7 73.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.86 -1.15 . . . . 0.0 110.042 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.4 ' HB ' ' HG3' ' B' ' 33' ' ' MET . 60.9 mt -51.24 -28.69 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.211 -0.931 . . . . 0.0 109.881 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.41 ' NH2' ' CB ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -53.76 -24.22 14.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.427 -0.796 . . . . 0.0 109.293 179.319 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.41 ' CB ' ' NH2' ' B' ' 49' ' ' ARG . 13.3 t0 -78.84 -32.55 46.18 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.338 -0.851 . . . . 0.0 109.943 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -80.16 -46.71 15.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.302 -0.874 . . . . 0.0 109.964 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.545 ' O ' HD13 ' B' ' 52' ' ' LEU . 0.3 OUTLIER -59.33 -37.18 77.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.236 -0.915 . . . . 0.0 110.063 179.792 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -56.08 -51.62 67.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.31 -0.869 . . . . 0.0 110.066 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.13 -37.11 64.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.881 . . . . 0.0 110.075 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.86 -34.73 79.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.902 . . . . 0.0 110.1 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 ttt85 -53.56 -56.68 15.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.925 . . . . 0.0 110.129 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.62 -38.85 82.44 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.248 -0.908 . . . . 0.0 109.941 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.455 ' HA ' ' HB3' ' B' ' 61' ' ' ALA . 0.1 OUTLIER -53.31 -22.82 7.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -0.882 . . . . 0.0 110.204 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . 0.751 ' HA ' HD21 ' B' ' 22' ' ' LEU . 28.6 t80 -52.2 -54.28 32.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.07 -38.67 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.325 -0.859 . . . . 0.0 110.213 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' B' ' 58' ' ' LEU . . . -55.73 -22.77 25.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.273 -0.892 . . . . 0.0 110.227 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.78 -72.55 0.66 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.305 -0.872 . . . . 0.0 110.194 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.2 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 22' ' ' LEU . 56.1 Cg_endo . . . . . 0 N--CA 1.481 0.766 0 N-CA-C 111.662 -0.169 . . . . 0.0 111.662 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 67.25 -65.62 0.22 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.954 -1.091 . . . . 0.0 110.118 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -49.39 -49.29 45.29 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.12 -0.987 . . . . 0.0 109.669 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -66.33 -56.21 12.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.429 -0.794 . . . . 0.0 108.872 178.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -47.76 -51.94 20.47 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.3 0.571 . . . . 0.0 110.486 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -35.32 80.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.908 . . . . 0.0 110.213 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -66.39 -43.72 85.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.285 -0.885 . . . . 0.0 110.239 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.576 HD11 HD12 ' A' ' 22' ' ' LEU . 97.5 mt -69.02 -53.8 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.213 -0.929 . . . . 0.0 110.168 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -58.57 -23.04 57.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 110.16 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -65.82 0.64 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 0.0 110.156 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.74 -37.35 86.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 110.15 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -46.65 89.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.183 -0.948 . . . . 0.0 109.92 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.32 -31.69 62.95 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 33.7 tp -75.8 -31.65 59.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -1.124 . . . . 0.0 109.964 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.488 ' HE2' ' HB2' ' A' ' 49' ' ' ARG . 5.2 tmm? -80.18 -26.95 39.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.412 -0.805 . . . . 0.0 110.214 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.19 -44.77 19.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.261 -0.899 . . . . 0.0 110.767 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 36' ' ' HIS . 5.0 pt20 -54.33 -36.31 63.64 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.22 -0.925 . . . . 0.0 110.643 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.444 ' N ' ' HG3' ' A' ' 35' ' ' GLN . 40.1 m80 -80.19 -49.16 12.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.99 . . . . 0.0 110.237 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.902 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -50.59 -34.98 27.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.218 -0.926 . . . . 0.0 110.116 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -71.55 -38.66 70.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 109.926 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -92.31 20.07 6.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.248 -0.908 . . . . 0.0 110.105 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 53.78 24.17 4.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 110.448 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -108.02 14.77 24.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.303 -0.873 . . . . 0.0 110.089 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.069 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -76.75 27.49 0.13 Allowed 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.082 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -56.23 -69.64 0.14 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.281 -1.512 . . . . 0.0 107.369 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 2.7 pt-20 -82.3 -20.06 38.18 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.639 -0.663 . . . . 0.0 109.43 177.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 1.069 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -72.45 -48.38 41.45 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.202 -0.937 . . . . 0.0 110.982 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.478 ' HB2' ' CD2' ' A' ' 42' ' ' PHE . . . -53.01 -34.02 54.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.107 -0.995 . . . . 0.0 110.462 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -28.85 37.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.203 -0.935 . . . . 0.0 110.054 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.459 HG22 HD23 ' A' ' 52' ' ' LEU . 34.3 mm -52.36 -30.09 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.146 -0.971 . . . . 0.0 109.323 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.488 ' HB2' ' HE2' ' A' ' 33' ' ' MET . 0.0 OUTLIER -53.97 -26.45 25.88 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.701 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.404 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 3.6 t0 -68.63 -36.14 78.22 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.511 -0.743 . . . . 0.0 109.392 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.934 ' O ' HD12 ' A' ' 55' ' ' LEU . 20.3 mt-30 -78.91 -35.81 42.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.352 -0.842 . . . . 0.0 109.828 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' CD1' HG23 ' A' ' 26' ' ' ILE . 1.1 mm? -57.66 -26.0 61.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.406 -0.809 . . . . 0.0 110.144 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.45 -45.54 30.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 0.0 110.268 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.41 -39.89 95.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.274 -0.891 . . . . 0.0 110.241 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.934 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -56.2 -29.08 60.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.185 -0.947 . . . . 0.0 110.167 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -54.45 -45.49 73.11 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 0.0 110.115 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.42 -61.7 2.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.268 -0.895 . . . . 0.0 110.188 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mt -45.58 -25.67 0.49 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 0.0 111.344 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 28.8 t80 -48.96 -47.85 43.58 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.991 -1.068 . . . . 0.0 110.642 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.9 mt -63.54 -41.78 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.3 -0.875 . . . . 0.0 110.15 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.64 -20.58 34.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.311 -0.868 . . . . 0.0 110.169 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.183 -0.948 . . . . 0.0 110.203 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' B' ' 22' ' ' LEU . 56.5 Cg_endo . . . . . 0 N--CA 1.481 0.792 0 N-CA-C 111.741 -0.138 . . . . 0.0 111.741 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 67.3 -65.65 0.22 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.951 -1.093 . . . . 0.0 110.129 -179.673 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -49.35 -49.36 44.66 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.112 -0.993 . . . . 0.0 109.664 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.573 HD12 HD11 ' B' ' 26' ' ' ILE . 0.1 OUTLIER -66.37 -56.11 12.63 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.677 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -47.83 -51.85 21.21 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.264 0.554 . . . . 0.0 110.505 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -35.29 80.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.31 -0.869 . . . . 0.0 110.213 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -66.4 -43.76 84.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.265 -0.897 . . . . 0.0 110.222 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.573 HD11 HD12 ' B' ' 22' ' ' LEU . 97.5 mt -68.95 -53.95 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.923 . . . . 0.0 110.114 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -58.54 -23.05 57.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.275 -0.891 . . . . 0.0 110.151 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -65.83 0.63 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.861 . . . . 0.0 110.207 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.416 ' CB ' HD21 ' B' ' 52' ' ' LEU . 1.5 mp -65.75 -37.37 86.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.933 . . . . 0.0 110.103 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.72 -46.61 89.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.91 . . . . 0.0 109.932 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.35 -31.64 62.99 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.418 ' HA ' ' NE2' ' B' ' 35' ' ' GLN . 33.8 tp -75.85 -31.54 59.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -1.131 . . . . 0.0 110.026 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.477 ' HE2' ' HB2' ' B' ' 49' ' ' ARG . 5.2 tmm? -80.25 -26.89 38.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.356 -0.84 . . . . 0.0 110.221 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -44.8 19.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.374 -0.829 . . . . 0.0 110.69 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' B' ' 36' ' ' HIS . 5.0 pt20 -54.44 -36.28 63.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.157 -0.964 . . . . 0.0 110.564 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' B' ' 35' ' ' GLN . 40.6 m80 -80.13 -49.15 12.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.1 -1.0 . . . . 0.0 110.349 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.902 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -50.56 -35.08 28.1 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.245 -0.909 . . . . 0.0 110.047 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -71.45 -38.69 71.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.306 -0.871 . . . . 0.0 110.027 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -92.33 20.07 6.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 0.0 110.097 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 53.8 24.23 4.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.215 -0.928 . . . . 0.0 110.346 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -108.11 14.7 24.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.345 -0.847 . . . . 0.0 110.091 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 1.048 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 0.0 OUTLIER -76.56 27.29 0.13 Allowed 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -179.146 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -56.1 -69.64 0.14 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.299 -1.501 . . . . 0.0 107.441 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 2.7 pt-20 -82.29 -20.02 38.33 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.664 -0.647 . . . . 0.0 109.482 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 1.048 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -72.55 -48.42 40.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.209 -0.932 . . . . 0.0 110.947 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.479 ' HB2' ' CD2' ' B' ' 42' ' ' PHE . . . -52.89 -34.07 53.15 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.082 -1.011 . . . . 0.0 110.477 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -28.75 37.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.214 -0.929 . . . . 0.0 110.087 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.456 HG22 HD23 ' B' ' 52' ' ' LEU . 34.5 mm -52.42 -29.98 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.132 -0.98 . . . . 0.0 109.348 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.477 ' HB2' ' HE2' ' B' ' 33' ' ' MET . 0.0 OUTLIER -54.01 -26.49 26.55 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -68.66 -36.19 78.23 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.44 -0.788 . . . . 0.0 109.326 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.943 ' O ' HD12 ' B' ' 55' ' ' LEU . 20.2 mt-30 -78.94 -35.79 42.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.325 -0.859 . . . . 0.0 109.795 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.485 ' CD1' HG23 ' B' ' 26' ' ' ILE . 1.1 mm? -57.64 -26.03 61.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.372 -0.83 . . . . 0.0 110.193 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.36 -45.63 31.09 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.295 -0.878 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.24 -40.03 96.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.943 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.4 OUTLIER -56.16 -29.15 60.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.903 . . . . 0.0 110.19 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' B' ' 59' ' ' PHE . 0.5 OUTLIER -54.32 -45.6 72.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.236 -0.915 . . . . 0.0 110.137 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.44 -61.63 2.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.283 -0.886 . . . . 0.0 110.174 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mt -45.63 -25.59 0.49 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.568 -0.707 . . . . 0.0 111.32 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' B' ' 56' ' ' ARG . 28.9 t80 -48.99 -47.98 43.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.962 -1.087 . . . . 0.0 110.584 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 16.9 mt -63.38 -41.86 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.171 -0.956 . . . . 0.0 110.16 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.69 -20.49 34.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.203 -0.936 . . . . 0.0 110.181 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.36 -64.53 1.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.188 -0.945 . . . . 0.0 110.19 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.213 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 21' ' ' ALA . 49.1 Cg_endo . . . . . 0 N--CA 1.49 1.313 0 N-CA-C 111.57 -0.204 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' CD ' ' C ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 56.42 -74.31 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.567 -0.708 . . . . 0.0 111.252 178.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -48.16 -47.16 35.15 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.977 -1.077 . . . . 0.0 109.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.475 ' HB2' ' HG2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -66.3 -50.69 62.8 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.369 -0.832 . . . . 0.0 109.173 178.771 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -51.46 -56.78 11.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.721 -0.612 . . . . 0.0 110.361 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -43.92 97.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.323 -0.861 . . . . 0.0 110.311 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -52.91 -50.54 63.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.227 -0.921 . . . . 0.0 110.361 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.743 HG23 ' CD1' ' A' ' 52' ' ' LEU . 90.7 mt -66.64 -58.26 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 0.0 110.294 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -55.14 -21.29 12.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 110.358 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.64 -44.81 26.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 0.0 110.302 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.581 ' HB2' HD21 ' A' ' 52' ' ' LEU . 13.9 mt -75.14 -40.82 59.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.226 -0.921 . . . . 0.0 110.348 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -41.23 79.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.216 -0.928 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.83 -27.31 73.98 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 tp -80.0 -27.66 39.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.204 -1.174 . . . . 0.0 110.237 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.935 ' HE2' HD21 ' B' ' 40' ' ' LEU . 4.7 tmm? -73.51 -56.95 4.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.955 . . . . 0.0 110.292 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.48 -37.11 64.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -0.881 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -73.9 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.23 -0.919 . . . . 0.0 110.318 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.863 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 28.6 m170 -47.11 -54.16 11.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.315 -0.866 . . . . 0.0 110.878 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.79 48.75 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.08 -1.013 . . . . 0.0 109.719 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -68.27 -31.8 71.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.397 -0.814 . . . . 0.0 109.237 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -90.46 15.17 11.2 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.524 -0.735 . . . . 0.0 109.836 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.848 HD21 ' CE ' ' B' ' 33' ' ' MET . 0.2 OUTLIER 59.78 27.96 17.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.324 -0.86 . . . . 0.0 111.092 179.788 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 3.6 mm-40 -77.63 -45.87 23.79 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.022 . . . . 0.0 109.104 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.699 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 3.5 m-85 49.47 -178.41 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.585 -0.697 . . . . 0.0 111.094 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 45.8 tt0 66.12 -62.68 0.25 Allowed 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 121.767 0.794 . . . . 0.0 109.113 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' OE2' ' CD2' ' A' ' 36' ' ' HIS . 16.8 pt-20 -82.15 -30.4 31.06 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-O 121.377 0.608 . . . . 0.0 109.553 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.863 ' HB2' ' HB2' ' A' ' 36' ' ' HIS . . . -80.58 -48.39 12.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.327 -0.858 . . . . 0.0 110.893 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -69.13 -19.83 64.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -0.952 . . . . 0.0 110.429 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.72 -50.18 12.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.098 -1.001 . . . . 0.0 109.67 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.4 mt -51.61 -32.4 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.206 -0.934 . . . . 0.0 109.566 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.407 ' NH2' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -54.22 -24.8 19.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.506 -0.746 . . . . 0.0 109.214 178.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.407 ' CB ' ' NH2' ' A' ' 49' ' ' ARG . 12.2 t0 -80.07 -29.7 39.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.34 -0.85 . . . . 0.0 109.852 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.11 -40.45 68.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.326 -0.859 . . . . 0.0 110.069 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.743 ' CD1' HG23 ' A' ' 26' ' ' ILE . 1.2 mm? -53.18 -30.62 38.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.201 -0.937 . . . . 0.0 110.093 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -37.81 33.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -0.906 . . . . 0.0 109.996 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.73 -39.31 84.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.299 -0.875 . . . . 0.0 110.111 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -21.18 59.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.33 -0.856 . . . . 0.0 110.225 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ttt85 -52.83 -51.89 59.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.221 -0.925 . . . . 0.0 110.213 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.34 -44.26 79.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 0.0 110.031 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -22.74 8.29 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.31 -0.869 . . . . 0.0 110.164 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -52.64 -38.96 61.25 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.243 -0.91 . . . . 0.0 110.251 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.4 mt -71.85 -36.16 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.214 -0.929 . . . . 0.0 110.188 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.39 -21.92 66.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.217 -0.927 . . . . 0.0 110.159 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.249 -0.907 . . . . 0.0 110.234 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' B' ' 21' ' ' ALA . 50.8 Cg_endo . . . . . 0 N--CA 1.489 1.224 0 N-CA-C 111.614 -0.187 . . . . 0.0 111.614 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.417 ' CD ' ' C ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 56.33 -74.3 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.406 0 O-C-N 121.564 -0.71 . . . . 0.0 111.322 178.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -48.24 -47.11 36.11 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.962 -1.086 . . . . 0.0 109.892 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.473 ' HB2' ' HG2' ' B' ' 19' ' ' PRO . 0.1 OUTLIER -66.28 -50.73 62.68 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.44 -0.787 . . . . 0.0 109.168 178.786 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -51.46 -56.77 11.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.694 -0.629 . . . . 0.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -43.91 97.99 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 0.0 110.335 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -52.83 -50.63 63.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 0.0 110.37 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.749 HG23 ' CD1' ' B' ' 52' ' ' LEU . 90.7 mt -66.57 -58.28 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.252 -0.905 . . . . 0.0 110.338 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -55.16 -21.33 13.05 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.221 -0.924 . . . . 0.0 110.302 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.56 -44.89 27.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.941 . . . . 0.0 110.317 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.581 ' HB2' HD21 ' B' ' 52' ' ' LEU . 13.8 mt -75.05 -41.01 59.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.212 -0.93 . . . . 0.0 110.262 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -41.18 79.43 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.302 -0.874 . . . . 0.0 110.234 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.87 -27.25 74.04 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 tp -80.09 -27.62 39.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.271 -1.135 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . 0.848 ' CE ' HD21 ' A' ' 40' ' ' LEU . 4.7 tmm? -73.46 -56.9 4.43 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.934 . . . . 0.0 110.297 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.59 -37.12 65.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.164 -0.96 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.62 -73.87 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.313 -0.867 . . . . 0.0 110.325 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.843 ' HB2' ' HB2' ' B' ' 45' ' ' ALA . 28.9 m170 -47.06 -54.21 10.88 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.41 -0.806 . . . . 0.0 110.889 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.81 -43.79 48.83 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.102 -0.999 . . . . 0.0 109.66 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -68.23 -31.81 71.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.361 -0.837 . . . . 0.0 109.291 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -90.56 15.31 11.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.447 -0.783 . . . . 0.0 109.806 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.935 HD21 ' HE2' ' A' ' 33' ' ' MET . 0.2 OUTLIER 59.79 27.9 17.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.315 -0.866 . . . . 0.0 111.1 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.451 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 3.6 mm-40 -77.55 -45.99 23.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.072 -1.018 . . . . 0.0 109.136 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.7 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 3.5 m-85 49.58 -178.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.597 -0.689 . . . . 0.0 111.085 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 45.9 tt0 66.04 -62.55 0.25 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.78 0.8 . . . . 0.0 109.128 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.467 ' OE2' ' CD2' ' B' ' 36' ' ' HIS . 16.8 pt-20 -82.16 -30.4 31.03 Favored 'General case' 0 C--N 1.29 -1.978 0 CA-C-O 121.366 0.603 . . . . 0.0 109.559 178.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.843 ' HB2' ' HB2' ' B' ' 36' ' ' HIS . . . -80.57 -48.47 12.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.911 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.699 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -69.14 -19.82 64.03 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.909 . . . . 0.0 110.412 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.64 -50.24 12.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.135 -0.978 . . . . 0.0 109.713 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 69.5 mt -51.54 -32.47 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.256 -0.902 . . . . 0.0 109.459 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.409 ' NH2' ' HB2' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -54.28 -24.67 19.81 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.49 -0.756 . . . . 0.0 109.141 179.065 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.409 ' HB2' ' NH2' ' B' ' 49' ' ' ARG . 12.3 t0 -80.24 -29.58 38.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 0.0 109.808 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.21 -40.4 67.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.308 -0.87 . . . . 0.0 110.034 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.749 ' CD1' HG23 ' B' ' 26' ' ' ILE . 1.2 mm? -53.24 -30.56 38.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 0.0 110.085 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -37.73 33.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.338 -0.851 . . . . 0.0 110.097 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -67.79 -39.24 84.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.883 . . . . 0.0 110.12 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -21.23 59.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.909 . . . . 0.0 110.192 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ttt85 -52.82 -51.94 58.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.206 -0.934 . . . . 0.0 110.258 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.29 -44.18 79.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 110.111 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -22.88 7.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.367 -0.833 . . . . 0.0 110.205 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -52.63 -38.96 61.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.279 -0.888 . . . . 0.0 110.228 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 29.3 mt -71.81 -36.21 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.254 -0.904 . . . . 0.0 110.138 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.37 -21.83 66.51 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.317 -0.865 . . . . 0.0 110.177 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.13 -66.45 0.91 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.182 -0.948 . . . . 0.0 110.179 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.229 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.487 ' HG2' HD13 ' A' ' 22' ' ' LEU . 49.4 Cg_endo . . . . . 0 C--O 1.215 -0.671 0 CA-C-O 120.775 0.239 . . . . 0.0 111.654 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 19' ' ' PRO . 11.2 tmtt? 63.83 -68.83 0.09 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.194 -0.941 . . . . 0.0 111.504 179.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.97 -48.3 21.62 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.094 -1.004 . . . . 0.0 110.984 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.644 ' N ' HD12 ' A' ' 22' ' ' LEU . 10.2 mp -80.75 -37.76 29.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.294 -0.879 . . . . 0.0 109.38 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -50.35 -53.29 30.06 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.783 -0.573 . . . . 0.0 110.524 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -66.8 -41.65 87.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.161 -0.962 . . . . 0.0 110.393 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -62.17 -38.3 88.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 110.436 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.511 HG23 ' CD1' ' A' ' 52' ' ' LEU . 95.3 mt -80.06 -43.76 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.22 -0.925 . . . . 0.0 110.47 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -65.63 -31.52 72.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.241 -0.912 . . . . 0.0 110.535 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -80.11 -37.89 32.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.156 -0.965 . . . . 0.0 110.445 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.567 ' HB3' HD23 ' A' ' 52' ' ' LEU . 35.5 mt -73.13 -34.09 65.91 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.167 -0.958 . . . . 0.0 110.441 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.04 -50.22 74.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.0 110.452 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.37 -29.08 73.0 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 32' ' ' LEU . 7.9 tp -63.49 -30.4 71.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.153 -1.204 . . . . 0.0 110.392 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mtp -62.6 -58.23 8.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 0.0 110.418 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 ttm -57.92 -43.29 86.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.277 -0.89 . . . . 0.0 110.473 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -75.7 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.236 -0.915 . . . . 0.0 110.559 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.762 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 15.6 m-70 -50.83 -54.65 21.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.207 -0.933 . . . . 0.0 110.569 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.41 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -48.02 -41.17 24.91 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.178 -0.951 . . . . 0.0 110.177 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -61.94 -33.53 74.44 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.276 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -91.77 18.52 7.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.43 -0.794 . . . . 0.0 109.606 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.445 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.0 mp 55.83 23.52 6.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.416 -0.803 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 36' ' ' HIS . 2.9 mm-40 -67.29 -47.52 70.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.164 -0.96 . . . . 0.0 108.95 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.697 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 3.9 m-85 48.29 -176.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.682 -0.636 . . . . 0.0 111.247 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 26.4 tt0 65.6 -63.62 0.21 Allowed 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 121.75 0.786 . . . . 0.0 109.151 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' PHE . 14.2 pt-20 -82.63 -29.8 29.86 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-O 121.406 0.622 . . . . 0.0 109.839 178.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.762 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -80.76 -47.11 14.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.334 -0.854 . . . . 0.0 111.288 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.693 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -73.3 -37.76 66.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.15 -0.969 . . . . 0.0 110.779 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 8.2 mm-40 -52.96 -23.11 6.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.9 -1.125 . . . . 0.0 110.245 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.61 -27.98 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.361 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -54.29 -25.79 25.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.02 -1.05 . . . . 0.0 109.93 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.02 -38.85 31.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.359 -0.838 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -75.85 -45.88 33.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.908 . . . . 0.0 110.204 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.567 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -58.5 -36.96 74.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.237 -0.914 . . . . 0.0 110.138 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 2.5 t-80 -71.44 -39.11 71.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.912 . . . . 0.0 110.099 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -71.48 -38.57 71.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.905 . . . . 0.0 109.991 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -60.2 -27.82 67.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -0.869 . . . . 0.0 110.032 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -62.34 -70.63 0.19 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 0.0 109.503 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.608 ' O ' HD12 ' A' ' 60' ' ' ILE . 14.6 mt-10 -51.02 -38.35 50.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.484 -0.76 . . . . 0.0 110.0 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.19 -21.46 13.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.313 -0.867 . . . . 0.0 110.079 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -49.89 -44.68 50.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.248 -0.908 . . . . 0.0 110.287 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.6 mp -67.17 -38.12 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.0 110.107 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -22.13 65.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.266 -0.896 . . . . 0.0 110.059 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.351 -0.843 . . . . 0.0 110.127 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.493 ' HG2' HD13 ' B' ' 22' ' ' LEU . 48.8 Cg_endo . . . . . 0 CA--C 1.538 0.722 0 CA-C-O 120.752 0.23 . . . . 0.0 111.631 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' B' ' 19' ' ' PRO . 11.2 tmtt? 63.88 -68.8 0.09 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.224 -0.922 . . . . 0.0 111.424 179.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.97 -48.32 21.64 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.071 -1.018 . . . . 0.0 110.95 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.634 HD12 ' N ' ' B' ' 22' ' ' LEU . 10.2 mp -80.82 -37.79 29.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 0.0 109.314 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -50.34 -53.14 31.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.765 -0.584 . . . . 0.0 110.615 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -66.87 -41.73 86.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.144 -0.972 . . . . 0.0 110.345 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -62.12 -38.26 88.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.137 -0.977 . . . . 0.0 110.438 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.502 HG23 ' CD1' ' B' ' 52' ' ' LEU . 95.3 mt -80.1 -43.86 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.924 . . . . 0.0 110.463 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -65.61 -31.45 72.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.243 -0.911 . . . . 0.0 110.551 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -80.01 -38.02 32.92 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.147 -0.971 . . . . 0.0 110.438 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.57 ' HB3' HD23 ' B' ' 52' ' ' LEU . 35.4 mt -73.08 -34.19 66.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.194 -0.941 . . . . 0.0 110.408 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.02 -50.17 74.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 110.457 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.38 -29.11 73.0 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.56 -30.33 71.46 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.172 -1.193 . . . . 0.0 110.369 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mtp -62.62 -58.17 8.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.152 -0.968 . . . . 0.0 110.466 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.8 ttm -58.02 -43.11 86.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.274 -0.892 . . . . 0.0 110.555 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.18 -75.81 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.196 -0.94 . . . . 0.0 110.556 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' HIS . . . . . 0.763 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 15.7 m-70 -50.83 -54.63 22.09 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.259 -0.901 . . . . 0.0 110.562 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.41 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -48.04 -41.11 24.9 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.214 -0.929 . . . . 0.0 110.199 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -62.06 -33.33 74.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.202 -0.936 . . . . 0.0 109.313 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -91.85 18.43 7.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.774 . . . . 0.0 109.615 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.435 HD12 ' N ' ' B' ' 40' ' ' LEU . 6.0 mp 55.94 23.53 6.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.475 -0.766 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.37 -47.51 70.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 108.928 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.693 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 3.9 m-85 48.35 -176.32 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.667 -0.645 . . . . 0.0 111.224 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.488 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 26.4 tt0 65.65 -63.57 0.21 Allowed 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.735 0.779 . . . . 0.0 109.127 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' B' ' 42' ' ' PHE . 14.1 pt-20 -82.69 -29.81 29.64 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-O 121.371 0.605 . . . . 0.0 109.836 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.763 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.81 -47.0 14.47 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.399 -0.813 . . . . 0.0 111.243 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.697 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -73.29 -37.81 66.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.205 -0.935 . . . . 0.0 110.864 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 8.2 mm-40 -52.95 -23.12 6.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.99 -1.069 . . . . 0.0 110.208 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 90.6 mt -64.62 -27.94 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.32 -0.862 . . . . 0.0 110.363 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.2 OUTLIER -54.38 -25.63 25.52 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.06 -1.025 . . . . 0.0 109.951 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.09 -38.79 30.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.355 -0.841 . . . . 0.0 110.111 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -75.98 -45.9 32.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.908 . . . . 0.0 110.096 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -58.55 -36.84 74.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.235 -0.916 . . . . 0.0 110.166 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' B' ' 49' ' ' ARG . 2.5 t-80 -71.42 -39.25 71.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -0.91 . . . . 0.0 110.05 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -71.38 -38.65 71.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 110.052 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.411 ' HB3' HG12 ' B' ' 26' ' ' ILE . 43.0 mt -60.18 -27.95 67.54 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.293 -0.879 . . . . 0.0 109.962 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -62.27 -70.55 0.19 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 0.0 109.562 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.609 ' O ' HD12 ' B' ' 60' ' ' ILE . 14.5 mt-10 -51.05 -38.3 50.7 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.481 -0.762 . . . . 0.0 110.025 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.25 -21.39 14.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.332 -0.855 . . . . 0.0 110.113 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -49.91 -44.68 50.32 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.199 -0.938 . . . . 0.0 110.268 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.609 HD12 ' O ' ' B' ' 57' ' ' GLU . 2.6 mp -67.21 -38.16 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.181 -0.95 . . . . 0.0 110.015 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.1 -22.22 65.63 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.2 -0.938 . . . . 0.0 110.077 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.68 -67.93 0.84 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.354 -0.841 . . . . 0.0 110.269 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . 0.408 ' HB2' ' HB3' ' B' ' 19' ' ' PRO . 35.2 t . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.215 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.255 0.55 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.817 ' O ' HG23 ' A' ' 13' ' ' VAL . 2.9 mt-10 53.03 52.05 9.97 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.281 -0.887 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 46.7 Cg_endo -73.02 -46.62 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.662 1.348 . . . . 0.0 110.389 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -59.7 -19.96 53.17 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.269 -0.894 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 3.8 t30 -108.27 14.74 24.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.191 -0.943 . . . . 0.0 110.443 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 9' ' ' GLU . 2.3 t -87.97 -48.3 0.45 Allowed Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.058 -1.026 . . . . 0.0 110.162 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 44.6 Cg_endo -82.31 -82.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.35 0 O-C-N 123.239 1.126 . . . . 0.0 110.156 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -176.33 -172.02 0.45 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.154 -0.966 . . . . 0.0 110.124 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -159.29 38.22 0.2 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.22 -0.925 . . . . 0.0 110.266 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -55.88 -39.85 72.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.24 -0.913 . . . . 0.0 110.156 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.2 m -156.75 164.4 21.75 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.27 -0.894 . . . . 0.0 110.115 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.579 ' HG3' HD23 ' A' ' 22' ' ' LEU . 43.7 Cg_endo -69.9 -7.23 20.59 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.697 1.367 . . . . 0.0 111.489 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? 63.79 -70.31 0.07 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.402 -0.812 . . . . 0.0 110.953 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -52.03 -60.34 3.31 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.906 -1.121 . . . . 0.0 109.846 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.004 HD11 HD11 ' A' ' 26' ' ' ILE . 4.2 tp -56.69 -61.38 2.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.38 -0.825 . . . . 0.0 109.218 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -49.57 -34.03 16.59 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.357 -0.839 . . . . 0.0 110.389 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -72.39 -36.56 68.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.271 -0.893 . . . . 0.0 110.044 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 -45.55 61.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.269 -0.894 . . . . 0.0 110.076 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 1.004 HD11 HD11 ' A' ' 22' ' ' LEU . 71.6 mt -54.63 -55.06 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.224 -0.923 . . . . 0.0 110.116 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.56 -22.3 63.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.278 -0.889 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -43.45 21.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.299 -0.875 . . . . 0.0 110.389 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.469 ' HB3' HD23 ' A' ' 52' ' ' LEU . 14.7 mt -71.19 -43.21 67.88 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.245 -0.909 . . . . 0.0 110.433 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.678 ' N ' HD21 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -61.22 -43.39 98.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.239 -0.913 . . . . 0.0 110.324 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.89 -22.05 70.0 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD23 HD11 ' A' ' 48' ' ' ILE . 9.0 tp -73.8 -39.88 63.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.182 -1.187 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.661 ' HE1' HD23 ' B' ' 40' ' ' LEU . 9.7 mtp -53.06 -51.66 61.05 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.178 -0.951 . . . . 0.0 110.379 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.468 ' HE1' ' HA ' ' B' ' 38' ' ' GLN . 1.0 OUTLIER -49.23 -45.22 44.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.266 -0.896 . . . . 0.0 110.654 -179.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.07 -74.83 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.18 -0.95 . . . . 0.0 110.425 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.535 ' ND1' ' HB2' ' A' ' 45' ' ' ALA . 2.3 m170 -54.89 -54.98 35.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.252 -0.905 . . . . 0.0 110.759 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.96 -30.62 2.67 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.295 -0.878 . . . . 0.0 110.126 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.541 ' HA ' ' HE1' ' B' ' 34' ' ' MET . 16.1 mt-30 -80.14 -34.55 37.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.37 -0.831 . . . . 0.0 109.256 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -95.34 24.65 4.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.441 -0.787 . . . . 0.0 109.624 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.859 HD23 ' HE1' ' B' ' 33' ' ' MET . 4.1 mp 55.11 30.47 14.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.453 -0.78 . . . . 0.0 110.767 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . 6.1 mm-40 -110.03 20.63 17.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.158 -0.963 . . . . 0.0 109.834 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.993 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.6 p90 -61.26 -8.82 4.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.567 -0.708 . . . . 0.0 112.029 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -48.93 -68.44 0.18 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.579 -1.326 . . . . 0.0 109.373 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -81.4 -19.21 43.09 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.551 -0.718 . . . . 0.0 109.65 178.28 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.993 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -77.05 -51.47 11.01 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.358 -0.839 . . . . 0.0 111.593 -179.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.732 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -51.39 -23.47 3.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.977 -1.077 . . . . 0.0 110.531 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -54.79 -32.4 60.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.035 -1.04 . . . . 0.0 109.593 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.496 HD11 HD23 ' A' ' 32' ' ' LEU . 36.4 mt -54.18 -28.4 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.339 -0.851 . . . . 0.0 109.335 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -48.72 -33.98 11.2 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.465 -0.772 . . . . 0.0 109.733 179.267 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -71.87 -37.46 70.19 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.35 -0.844 . . . . 0.0 109.788 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.654 ' O ' HD12 ' A' ' 55' ' ' LEU . 20.1 mt-30 -80.15 -34.93 37.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.847 . . . . 0.0 109.987 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.678 HD21 ' N ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -66.75 -36.88 83.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.275 -0.891 . . . . 0.0 110.185 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -77.1 -44.64 29.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.888 . . . . 0.0 110.2 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.15 -44.55 91.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.212 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 51' ' ' GLN . 15.8 mt -65.39 -24.19 67.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.178 -0.952 . . . . 0.0 110.166 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -61.31 -62.03 2.12 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.225 -0.922 . . . . 0.0 110.15 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -54.41 -37.91 65.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.0 110.146 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 55' ' ' LEU . 43.4 mt -64.7 -19.85 65.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.783 ' HA ' HD21 ' A' ' 22' ' ' LEU . 44.4 t80 -51.21 -45.0 61.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -76.92 -49.11 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.218 -0.926 . . . . 0.0 110.155 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.79 -24.46 15.4 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.226 -0.921 . . . . 0.0 110.163 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.67 -74.64 0.38 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 110.205 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.227 179.941 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.26 0.552 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.828 ' O ' HG23 ' B' ' 13' ' ' VAL . 2.9 mt-10 53.19 51.95 9.67 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.249 -0.907 . . . . 0.0 110.238 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' B' ' 9' ' ' GLU . 46.7 Cg_endo -73.01 -46.69 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 O-C-N 123.711 1.374 . . . . 0.0 110.384 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -59.63 -19.95 52.65 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.269 -0.894 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' B' ' 12' ' ' ASN . 3.7 t30 -108.34 14.83 24.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.23 -0.919 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.828 HG23 ' O ' ' B' ' 9' ' ' GLU . 2.3 t -88.04 -48.2 0.45 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.081 -1.012 . . . . 0.0 110.104 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.521 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 44.8 Cg_endo -82.35 -82.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 O-C-N 123.33 1.174 . . . . 0.0 110.224 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -176.18 -172.09 0.47 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.106 -0.996 . . . . 0.0 110.145 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -159.17 38.09 0.21 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.183 -0.948 . . . . 0.0 110.254 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -55.82 -39.88 72.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.252 -0.905 . . . . 0.0 110.221 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 58.1 m -156.75 164.38 21.81 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.25 -0.906 . . . . 0.0 110.128 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.579 ' HG3' HD23 ' B' ' 22' ' ' LEU . 43.8 Cg_endo -69.9 -7.15 20.37 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 O-C-N 123.685 1.36 . . . . 0.0 111.514 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? 63.73 -70.38 0.07 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.394 -0.816 . . . . 0.0 110.961 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -52.04 -60.26 3.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.908 -1.12 . . . . 0.0 109.934 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.988 HD11 HD11 ' B' ' 26' ' ' ILE . 4.1 tp -56.74 -61.37 2.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.395 -0.815 . . . . 0.0 109.222 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -49.59 -34.02 16.71 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.396 -0.815 . . . . 0.0 110.382 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -72.4 -36.53 68.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.272 -0.893 . . . . 0.0 110.048 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -45.4 61.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.238 -0.913 . . . . 0.0 110.136 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.988 HD11 HD11 ' B' ' 22' ' ' LEU . 71.5 mt -54.75 -54.95 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.376 -0.828 . . . . 0.0 110.117 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -60.64 -22.3 63.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.895 . . . . 0.0 110.275 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.33 -43.67 20.81 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.275 -0.891 . . . . 0.0 110.345 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.471 ' CB ' ' CD2' ' B' ' 52' ' ' LEU . 14.6 mt -71.01 -43.29 68.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.223 -0.923 . . . . 0.0 110.451 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.681 ' N ' HD21 ' B' ' 52' ' ' LEU . 0.5 OUTLIER -61.27 -43.23 99.21 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 0.0 110.263 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.83 -22.31 70.09 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.489 HD23 HD11 ' B' ' 48' ' ' ILE . 8.9 tp -73.66 -40.13 63.94 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.227 -1.161 . . . . 0.0 110.307 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.859 ' HE1' HD23 ' A' ' 40' ' ' LEU . 9.9 mtp -52.77 -51.66 59.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.215 -0.928 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.541 ' HE1' ' HA ' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -49.22 -45.43 44.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.327 -0.858 . . . . 0.0 110.632 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -75.01 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.269 -0.894 . . . . 0.0 110.468 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.533 ' ND1' ' HB2' ' B' ' 45' ' ' ALA . 2.3 m170 -54.77 -54.85 36.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.746 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.08 -30.86 2.99 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.261 -0.9 . . . . 0.0 110.139 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.468 ' HA ' ' HE1' ' A' ' 34' ' ' MET . 16.2 mt-30 -79.85 -34.61 39.18 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 109.204 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -95.26 24.72 4.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.478 -0.764 . . . . 0.0 109.651 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.661 HD23 ' HE1' ' A' ' 33' ' ' MET . 4.1 mp 55.04 30.31 13.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.514 -0.741 . . . . 0.0 110.803 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.421 ' HB2' ' HA ' ' B' ' 36' ' ' HIS . 6.0 mm-40 -109.89 20.73 17.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.179 -0.951 . . . . 0.0 109.824 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.974 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 5.8 p90 -61.38 -8.6 4.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.541 -0.724 . . . . 0.0 112.022 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -49.02 -68.43 0.18 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.537 -1.352 . . . . 0.0 109.443 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 0.3 OUTLIER -81.53 -19.23 42.57 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.581 -0.699 . . . . 0.0 109.608 178.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.974 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -76.89 -51.54 11.06 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.339 -0.851 . . . . 0.0 111.533 -179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.718 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -50.96 -23.9 3.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.089 -1.007 . . . . 0.0 110.579 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -54.71 -32.55 59.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.119 -0.988 . . . . 0.0 109.61 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.489 HD11 HD23 ' B' ' 32' ' ' LEU . 36.2 mt -54.09 -28.43 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.367 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -48.68 -34.01 11.09 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.507 -0.746 . . . . 0.0 109.777 179.272 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -71.85 -37.44 70.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.3 -0.875 . . . . 0.0 109.801 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.654 ' O ' HD12 ' B' ' 55' ' ' LEU . 20.2 mt-30 -80.16 -34.83 37.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.28 -0.888 . . . . 0.0 110.004 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.681 HD21 ' N ' ' B' ' 30' ' ' GLU . 0.2 OUTLIER -66.8 -36.9 83.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.181 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -77.11 -44.53 30.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.247 -0.908 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -64.21 -44.48 91.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.248 -0.908 . . . . 0.0 110.272 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.654 HD12 ' O ' ' B' ' 51' ' ' GLN . 15.7 mt -65.41 -24.21 67.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.192 -0.943 . . . . 0.0 110.206 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -61.25 -62.15 2.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.93 . . . . 0.0 110.196 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -54.33 -37.94 65.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.272 -0.893 . . . . 0.0 110.151 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' B' ' 55' ' ' LEU . 43.4 mt -64.64 -19.87 65.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.252 -0.905 . . . . 0.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . 0.777 ' HA ' HD21 ' B' ' 22' ' ' LEU . 44.3 t80 -51.27 -44.93 61.93 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.139 -0.976 . . . . 0.0 110.421 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.6 mt -76.93 -49.13 23.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.279 -0.888 . . . . 0.0 110.153 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.81 -24.48 15.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.895 . . . . 0.0 110.124 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.62 -74.64 0.38 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.312 -0.868 . . . . 0.0 110.166 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.2 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 8' ' ' LEU . 6.7 mp . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.236 0.541 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 53.05 70.87 1.62 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.296 -0.878 . . . . 0.0 110.241 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.5 Cg_endo -72.98 -46.56 0.38 Allowed 'Trans proline' 0 C--N 1.311 -1.403 0 O-C-N 123.676 1.356 . . . . 0.0 110.489 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.8 -82.52 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.477 -0.764 . . . . 0.0 110.246 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 10' ' ' PRO . 1.4 p-10 -152.34 18.93 0.65 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.148 -0.97 . . . . 0.0 110.512 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.556 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.8 t -85.54 -61.93 0.26 Allowed Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.128 -0.983 . . . . 0.0 110.224 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.556 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 48.6 Cg_endo -74.39 -45.93 0.31 Allowed 'Trans proline' 0 C--N 1.312 -1.343 0 O-C-N 123.248 1.131 . . . . 0.0 110.107 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.8 -163.64 0.1 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.426 -0.796 . . . . 0.0 110.136 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -133.15 41.67 3.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.201 -0.937 . . . . 0.0 110.224 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.2 ptm -60.11 -32.35 70.91 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -0.9 . . . . 0.0 110.13 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.438 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 3.0 m -157.39 166.32 16.85 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.196 -0.94 . . . . 0.0 110.113 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HG2' HD13 ' A' ' 22' ' ' LEU . 45.5 Cg_endo -85.29 17.43 1.76 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 O-C-N 123.721 1.379 . . . . 0.0 111.659 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.18 -67.55 0.11 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.303 -0.873 . . . . 0.0 111.573 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.89 -45.61 15.34 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.171 -0.955 . . . . 0.0 111.009 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 22' ' ' LEU . 9.3 mp -80.51 -47.47 14.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.193 -0.942 . . . . 0.0 109.499 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.438 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 10.7 tt0 -52.47 -54.93 25.82 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.697 -0.627 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -62.53 -46.77 86.86 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 0.0 110.198 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -58.21 -51.69 68.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 110.304 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.42 -58.23 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.25 -0.906 . . . . 0.0 110.182 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -60.7 -28.01 68.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.174 -0.954 . . . . 0.0 110.331 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -80.06 -40.61 27.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.231 -0.918 . . . . 0.0 110.418 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.643 ' O ' HG21 ' A' ' 48' ' ' ILE . 40.0 mt -72.93 -36.7 67.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.223 -0.923 . . . . 0.0 110.327 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' N ' HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -68.04 -46.58 70.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.187 -0.946 . . . . 0.0 110.126 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.43 -34.75 64.05 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.613 HD12 ' CD ' ' A' ' 35' ' ' GLN . 22.2 tp -67.93 -37.58 81.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.199 -1.177 . . . . 0.0 110.031 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.531 ' HA ' ' HB1' ' A' ' 45' ' ' ALA . 2.5 ttp -67.21 -23.5 65.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.833 . . . . 0.0 110.219 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.09 -58.09 3.32 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.35 -0.844 . . . . 0.0 110.536 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.613 ' CD ' HD12 ' A' ' 32' ' ' LEU . 8.0 pt20 -49.73 -33.64 16.71 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.109 -0.994 . . . . 0.0 110.391 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.562 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 33.8 m-70 -80.09 -57.1 3.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.266 -0.896 . . . . 0.0 110.1 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.584 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -48.85 -27.34 2.97 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.262 -0.898 . . . . 0.0 110.031 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -78.23 -39.39 40.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.385 -0.822 . . . . 0.0 109.419 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.54 28.96 2.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.41 -0.806 . . . . 0.0 109.567 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp 55.09 27.37 9.35 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.6 -0.688 . . . . 0.0 110.595 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -101.55 15.04 30.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.227 -0.92 . . . . 0.0 109.982 179.363 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.032 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.1 p90 -58.79 -13.73 6.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 111.258 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -49.32 -62.92 1.28 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.571 -1.331 . . . . 0.0 109.557 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 3.9 pt-20 -82.78 -19.84 37.0 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.994 -1.066 . . . . 0.0 109.601 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 1.032 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -79.03 -58.72 3.1 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 111.494 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.677 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -42.45 -28.46 0.21 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.483 -0.761 . . . . 0.0 111.147 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.74 -31.19 70.52 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.002 -1.061 . . . . 0.0 109.701 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.891 HG22 HD23 ' A' ' 52' ' ' LEU . 95.8 mt -53.69 -32.27 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.173 -0.954 . . . . 0.0 109.365 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -34.13 5.18 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.722 -0.611 . . . . 0.0 109.697 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.05 -39.41 86.9 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.348 -0.845 . . . . 0.0 109.146 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.843 ' O ' HD12 ' A' ' 55' ' ' LEU . 20.6 mt-30 -80.15 -33.61 38.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.426 -0.797 . . . . 0.0 109.537 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.891 HD23 HG22 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -67.33 -37.08 82.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.376 -0.828 . . . . 0.0 109.907 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -78.07 -48.86 15.13 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.325 -0.859 . . . . 0.0 110.129 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.08 -35.95 72.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.233 -0.917 . . . . 0.0 110.1 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.843 HD12 ' O ' ' A' ' 51' ' ' GLN . 4.5 mt -70.04 -27.12 64.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.293 -0.879 . . . . 0.0 110.087 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -53.92 44.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.212 -0.93 . . . . 0.0 110.092 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.34 -30.49 68.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.288 -0.883 . . . . 0.0 110.1 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 58' ' ' LEU . 26.2 mt -69.43 -20.01 63.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.219 -0.926 . . . . 0.0 110.257 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -52.18 -29.24 21.4 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.184 -0.948 . . . . 0.0 110.332 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.0 mm -75.75 -39.64 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.922 . . . . 0.0 110.162 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -25.45 64.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 110.21 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.56 -67.97 0.82 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.335 -0.853 . . . . 0.0 110.199 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.248 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.421 HD12 ' N ' ' B' ' 8' ' ' LEU . 6.7 mp . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.234 0.54 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 53.12 70.83 1.63 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.1 Cg_endo -72.99 -46.59 0.38 Allowed 'Trans proline' 0 C--N 1.31 -1.453 0 O-C-N 123.72 1.379 . . . . 0.0 110.458 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.76 -82.54 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.419 -0.801 . . . . 0.0 110.301 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 10' ' ' PRO . 1.4 p-10 -152.31 18.9 0.65 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.173 -0.954 . . . . 0.0 110.471 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.559 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.8 t -85.49 -62.01 0.25 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.089 -1.007 . . . . 0.0 110.182 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.559 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 48.3 Cg_endo -74.37 -46.01 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.397 0 O-C-N 123.2 1.105 . . . . 0.0 110.046 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 53.84 -163.69 0.1 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.441 -0.787 . . . . 0.0 110.196 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -133.12 41.64 3.11 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.261 -0.899 . . . . 0.0 110.212 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 9.2 ptm -60.02 -32.46 70.91 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.343 -0.848 . . . . 0.0 110.219 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 3.0 m -157.23 166.38 16.76 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.144 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.447 ' HG2' ' HB2' ' B' ' 22' ' ' LEU . 46.8 Cg_endo -85.35 17.5 1.75 Allowed 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.674 1.355 . . . . 0.0 111.697 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.21 -67.55 0.11 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.272 -0.892 . . . . 0.0 111.536 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.92 -45.62 15.52 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.233 -0.917 . . . . 0.0 110.999 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.662 HD12 ' N ' ' B' ' 22' ' ' LEU . 9.3 mp -80.55 -47.4 14.25 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.307 -0.87 . . . . 0.0 109.514 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.427 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 10.7 tt0 -52.54 -54.96 25.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.674 -0.641 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -62.54 -46.73 87.06 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -58.11 -51.72 68.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 110.308 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.48 -58.19 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.908 . . . . 0.0 110.22 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -60.74 -27.83 68.23 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.323 -0.861 . . . . 0.0 110.323 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -80.15 -40.79 26.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.28 -0.887 . . . . 0.0 110.313 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.653 ' O ' HG21 ' B' ' 48' ' ' ILE . 39.9 mt -72.83 -36.63 67.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.26 -0.9 . . . . 0.0 110.371 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.434 ' N ' HD21 ' B' ' 52' ' ' LEU . 0.1 OUTLIER -68.07 -46.67 70.4 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.292 -0.88 . . . . 0.0 110.087 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.32 -34.75 63.59 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.623 HD12 ' CD ' ' B' ' 35' ' ' GLN . 22.2 tp -67.92 -37.61 81.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.245 -1.15 . . . . 0.0 110.058 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.533 ' HA ' ' HB1' ' B' ' 45' ' ' ALA . 2.5 ttp -67.14 -23.57 65.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.385 -0.822 . . . . 0.0 110.212 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.09 -57.92 3.4 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.296 -0.878 . . . . 0.0 110.619 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.623 ' CD ' HD12 ' B' ' 32' ' ' LEU . 8.0 pt20 -49.86 -33.54 17.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.185 -0.947 . . . . 0.0 110.418 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.57 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 33.8 m-70 -80.2 -56.98 3.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.267 -0.896 . . . . 0.0 110.058 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.584 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -49.0 -27.35 3.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.237 -0.914 . . . . 0.0 109.992 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -78.19 -39.37 40.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.413 -0.804 . . . . 0.0 109.499 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -95.51 28.84 2.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.488 -0.757 . . . . 0.0 109.553 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp 55.1 27.54 9.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.496 -0.752 . . . . 0.0 110.556 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' B' ' 36' ' ' HIS . 0.0 OUTLIER -101.66 15.01 30.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.237 -0.914 . . . . 0.0 109.993 179.3 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 1.032 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 5.1 p90 -58.81 -13.65 6.74 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.297 -0.877 . . . . 0.0 111.303 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -49.46 -62.84 1.33 Allowed 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.601 -1.312 . . . . 0.0 109.508 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 3.9 pt-20 -82.8 -19.83 36.94 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.049 -1.032 . . . . 0.0 109.642 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 1.032 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -79.07 -58.69 3.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.506 -0.746 . . . . 0.0 111.517 -178.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.675 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -42.49 -28.41 0.21 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.471 -0.768 . . . . 0.0 111.18 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -60.69 -31.21 70.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.071 -1.018 . . . . 0.0 109.686 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.867 HG22 HD23 ' B' ' 52' ' ' LEU . 95.8 mt -53.63 -32.37 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 0.0 109.401 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -46.84 -34.18 5.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.674 -0.641 . . . . 0.0 109.702 179.043 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.0 -39.46 87.11 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.339 -0.851 . . . . 0.0 109.082 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.856 ' O ' HD12 ' B' ' 55' ' ' LEU . 20.6 mt-30 -80.19 -33.65 38.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.454 -0.779 . . . . 0.0 109.471 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.867 HD23 HG22 ' B' ' 48' ' ' ILE . 0.5 OUTLIER -67.3 -37.08 82.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.475 -0.766 . . . . 0.0 109.9 179.694 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -78.04 -49.02 14.82 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.38 -0.825 . . . . 0.0 110.074 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.93 -36.03 71.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.239 -0.913 . . . . 0.0 110.053 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.856 HD12 ' O ' ' B' ' 51' ' ' GLN . 4.5 mt -69.98 -27.16 64.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 0.0 110.131 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -53.98 43.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.29 -0.882 . . . . 0.0 110.158 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -69.24 -30.63 68.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -0.878 . . . . 0.0 110.044 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' B' ' 58' ' ' LEU . 26.4 mt -69.32 -20.0 63.88 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.278 -0.889 . . . . 0.0 110.261 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -52.15 -29.35 21.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.113 -0.992 . . . . 0.0 110.237 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 48.9 mm -75.69 -39.61 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.243 -0.91 . . . . 0.0 110.223 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.38 -25.45 64.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.279 -0.888 . . . . 0.0 110.132 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.54 -67.84 0.83 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.242 -0.911 . . . . 0.0 110.206 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.183 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.238 0.542 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 53.12 87.38 0.14 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.264 -0.897 . . . . 0.0 110.194 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.2 Cg_endo -73.14 -53.41 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.702 1.369 . . . . 0.0 110.436 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.6 -80.67 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.421 -0.799 . . . . 0.0 110.425 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' PRO . 5.1 p-10 -143.95 28.23 1.42 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.237 -0.915 . . . . 0.0 110.171 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.536 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.2 t -85.57 -48.38 0.58 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.264 -0.898 . . . . 0.0 110.163 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.536 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 43.2 Cg_endo -81.87 -74.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.365 1.192 . . . . 0.0 110.249 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.74 122.78 0.15 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.17 -0.957 . . . . 0.0 110.211 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -97.28 34.21 1.83 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.245 -0.91 . . . . 0.0 110.141 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.7 ptm -59.69 -32.29 70.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.217 -0.927 . . . . 0.0 110.206 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.436 ' HB2' ' N ' ' A' ' 23' ' ' GLN . 10.7 p -141.52 140.34 20.28 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 110.098 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.539 ' HG2' HD13 ' A' ' 22' ' ' LEU . 47.6 Cg_endo -74.85 61.92 5.63 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.642 1.338 . . . . 0.0 111.1 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 61.49 -69.44 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.695 -0.628 . . . . 0.0 111.218 179.054 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -44.86 -48.11 11.12 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.287 -0.883 . . . . 0.0 110.709 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.704 ' N ' HD12 ' A' ' 22' ' ' LEU . 7.3 mp -80.59 -30.45 36.9 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.302 -0.874 . . . . 0.0 108.9 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.436 ' N ' ' HB2' ' A' ' 18' ' ' SER . 27.4 tt0 -57.0 -46.57 82.18 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.097 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -39.06 63.94 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.927 . . . . 0.0 110.105 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -48.52 74.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 0.0 110.137 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.568 HG23 HD13 ' A' ' 52' ' ' LEU . 76.7 mt -63.15 -45.81 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.354 -0.841 . . . . 0.0 110.067 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -67.32 -21.71 65.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 0.0 110.162 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -47.47 44.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 0.0 110.26 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.44 ' CB ' HD21 ' A' ' 52' ' ' LEU . 44.1 mt -71.72 -41.0 69.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.23 -0.919 . . . . 0.0 110.192 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.19 -47.64 74.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.34 -0.85 . . . . 0.0 110.101 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.31 -24.43 55.59 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 32' ' ' LEU . 10.2 tp -71.2 -35.98 71.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.266 -1.138 . . . . 0.0 110.121 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.921 ' HE1' HD23 ' B' ' 40' ' ' LEU . 5.2 mtp -63.53 -51.38 65.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.175 -0.953 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.2 mtp -50.01 -51.03 45.07 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.346 -0.847 . . . . 0.0 110.693 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.0 -78.44 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.152 -0.967 . . . . 0.0 110.538 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.469 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . 69.0 m-70 -50.29 -54.39 21.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.243 -0.911 . . . . 0.0 110.532 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.428 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -46.66 -33.59 4.37 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.349 -0.845 . . . . 0.0 110.274 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -80.12 -33.7 38.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.384 -0.822 . . . . 0.0 109.483 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -94.64 24.71 4.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.462 -0.774 . . . . 0.0 109.694 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.905 HD23 ' HE1' ' B' ' 33' ' ' MET . 2.3 mp 55.31 40.47 31.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.518 -0.738 . . . . 0.0 110.72 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . 6.7 mm-40 -120.07 17.31 12.46 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.238 -0.914 . . . . 0.0 109.8 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.01 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.4 p90 -59.95 -9.92 3.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.492 -0.755 . . . . 0.0 111.93 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -50.51 -65.86 0.49 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.476 -1.39 . . . . 0.0 109.156 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -81.84 -18.63 43.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.449 -0.782 . . . . 0.0 109.841 178.207 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 1.01 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -80.9 -46.0 15.9 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.149 -0.969 . . . . 0.0 112.093 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.694 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -54.11 -38.11 65.04 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.065 -1.022 . . . . 0.0 111.825 -178.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -51.45 -24.42 4.99 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.675 -1.266 . . . . 0.0 109.809 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.58 HG22 HD23 ' A' ' 52' ' ' LEU . 35.7 mm -55.58 -30.7 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.301 -0.874 . . . . 0.0 109.21 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -52.09 -28.69 18.51 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -0.826 . . . . 0.0 109.407 179.179 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.16 -44.58 75.67 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.543 ' O ' HD13 ' A' ' 55' ' ' LEU . 31.6 mt-30 -67.86 -31.21 70.87 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.367 -0.833 . . . . 0.0 109.372 179.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.58 HD23 HG22 ' A' ' 48' ' ' ILE . 1.6 mm? -68.08 -43.23 79.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.369 -0.832 . . . . 0.0 109.842 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -78.27 -34.89 48.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.331 -0.856 . . . . 0.0 110.028 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HA ' ' OE2' ' A' ' 57' ' ' GLU . 29.5 tt0 -64.64 -41.13 96.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.316 -0.865 . . . . 0.0 110.032 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 51' ' ' GLN . 2.4 mp -64.27 -19.92 65.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.922 . . . . 0.0 110.092 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -56.61 -59.7 4.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.919 . . . . 0.0 110.461 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' OE2' ' HA ' ' A' ' 54' ' ' GLN . 1.2 pt-20 -60.26 -23.52 64.17 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.199 -0.938 . . . . 0.0 110.235 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -19.95 50.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 110.229 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -50.98 -46.43 61.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.17 -0.956 . . . . 0.0 110.397 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.9 -40.16 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.25 -0.906 . . . . 0.0 110.057 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.22 -21.56 66.77 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.357 -0.839 . . . . 0.0 110.148 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.71 -64.52 1.04 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.254 -0.904 . . . . 0.0 110.193 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.201 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.25 0.547 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 52.99 87.35 0.14 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.271 -0.893 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.4 Cg_endo -73.05 -53.47 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.793 1.417 . . . . 0.0 110.47 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.58 -80.73 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.393 -0.817 . . . . 0.0 110.414 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' B' ' 10' ' ' PRO . 5.0 p-10 -143.92 28.32 1.42 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.202 -0.936 . . . . 0.0 110.159 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.515 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.2 t -85.64 -48.36 0.57 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.252 -0.905 . . . . 0.0 110.121 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.515 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 43.7 Cg_endo -81.81 -74.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.372 1.196 . . . . 0.0 110.315 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.74 122.79 0.15 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.125 -0.984 . . . . 0.0 110.213 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -97.26 34.13 1.84 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 0.0 110.153 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 8.7 ptm -59.63 -32.29 70.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 0.0 110.23 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.437 ' HB2' ' N ' ' B' ' 23' ' ' GLN . 10.6 p -141.49 140.32 20.29 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.295 -0.878 . . . . 0.0 110.132 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.551 ' HG2' HD13 ' B' ' 22' ' ' LEU . 48.0 Cg_endo -74.82 61.95 5.6 Favored 'Trans proline' 0 C--N 1.312 -1.353 0 O-C-N 123.554 1.291 . . . . 0.0 111.136 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 61.44 -69.42 0.05 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 O-C-N 121.735 -0.603 . . . . 0.0 111.245 179.082 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -44.83 -48.17 11.03 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.365 -0.834 . . . . 0.0 110.702 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.706 HD12 ' N ' ' B' ' 22' ' ' LEU . 7.3 mp -80.53 -30.46 37.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.234 -0.916 . . . . 0.0 108.948 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.437 ' N ' ' HB2' ' B' ' 18' ' ' SER . 27.4 tt0 -56.99 -46.47 82.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.62 -0.675 . . . . 0.0 110.157 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -39.08 63.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.132 -0.98 . . . . 0.0 110.104 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -48.61 73.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.266 -0.896 . . . . 0.0 110.177 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.582 HG23 HD13 ' B' ' 52' ' ' LEU . 77.2 mt -63.12 -45.72 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 110.179 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -67.33 -21.69 65.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.263 -0.898 . . . . 0.0 110.222 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.95 -47.57 44.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.915 . . . . 0.0 110.207 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.426 ' CB ' HD21 ' B' ' 52' ' ' LEU . 44.3 mt -71.69 -40.95 69.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.251 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -55.18 -47.58 75.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 110.175 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.37 -24.5 55.97 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 tp -71.12 -35.92 71.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -1.154 . . . . 0.0 110.181 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.905 ' HE1' HD23 ' A' ' 40' ' ' LEU . 5.0 mtp -63.59 -51.46 65.23 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 3.2 mtp -49.99 -50.94 45.41 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.274 -0.891 . . . . 0.0 110.696 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -78.49 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.199 -0.938 . . . . 0.0 110.504 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.47 ' HB2' ' CB ' ' B' ' 45' ' ' ALA . 69.1 m-70 -50.28 -54.3 22.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.248 -0.907 . . . . 0.0 110.613 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.428 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -46.71 -33.57 4.42 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.404 -0.81 . . . . 0.0 110.304 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -80.11 -33.64 38.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -0.894 . . . . 0.0 109.509 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -94.69 24.7 4.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.383 -0.823 . . . . 0.0 109.589 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.921 HD23 ' HE1' ' A' ' 33' ' ' MET . 2.3 mp 55.37 40.31 31.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.484 -0.76 . . . . 0.0 110.742 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' B' ' 36' ' ' HIS . 6.7 mm-40 -120.03 17.51 12.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.25 -0.906 . . . . 0.0 109.815 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 1.009 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 5.4 p90 -60.01 -9.97 3.69 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.467 -0.771 . . . . 0.0 111.912 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -50.57 -65.78 0.5 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.449 -1.407 . . . . 0.0 109.144 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER -81.95 -18.58 43.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.757 . . . . 0.0 109.833 178.236 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 1.009 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -80.97 -45.94 15.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.143 -0.973 . . . . 0.0 112.128 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.698 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -54.07 -38.09 64.92 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.167 -0.958 . . . . 0.0 111.852 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.436 ' CG ' ' O ' ' B' ' 44' ' ' GLU . 0.0 OUTLIER -51.44 -24.48 5.03 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.654 -1.279 . . . . 0.0 109.766 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.58 HG22 HD23 ' B' ' 52' ' ' LEU . 35.8 mm -55.53 -30.7 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.324 -0.86 . . . . 0.0 109.141 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.1 OUTLIER -52.01 -28.87 18.55 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.345 -0.847 . . . . 0.0 109.42 179.147 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.12 -44.52 75.96 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.548 ' O ' HD13 ' B' ' 55' ' ' LEU . 31.6 mt-30 -67.93 -31.27 70.91 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.389 -0.819 . . . . 0.0 109.312 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.582 HD13 HG23 ' B' ' 26' ' ' ILE . 1.6 mm? -67.95 -43.3 79.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.451 -0.78 . . . . 0.0 109.897 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -78.19 -34.94 49.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.884 . . . . 0.0 110.113 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.418 ' HA ' ' OE2' ' B' ' 57' ' ' GLU . 29.5 tt0 -64.66 -41.1 96.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.215 -0.928 . . . . 0.0 110.069 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.548 HD13 ' O ' ' B' ' 51' ' ' GLN . 2.4 mp -64.2 -19.88 65.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.227 -0.92 . . . . 0.0 110.178 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -56.7 -59.54 4.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.254 -0.904 . . . . 0.0 110.495 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.418 ' OE2' ' HA ' ' B' ' 54' ' ' GLN . 1.2 pt-20 -60.43 -23.44 64.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.121 -0.987 . . . . 0.0 110.28 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -19.92 50.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.231 -0.918 . . . . 0.0 110.283 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -51.03 -46.26 61.55 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.193 -0.942 . . . . 0.0 110.449 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 6.2 mt -60.97 -40.17 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.263 -0.898 . . . . 0.0 110.11 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.53 66.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.882 . . . . 0.0 110.186 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.75 -64.46 1.04 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 110.209 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.21 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.243 0.544 . . . . 0.0 110.192 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 53.07 81.01 0.27 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.299 -0.876 . . . . 0.0 110.212 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.1 Cg_endo -72.83 -49.9 0.23 Allowed 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.701 1.369 . . . . 0.0 110.468 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.3 -79.63 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.433 -0.792 . . . . 0.0 110.429 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 10' ' ' PRO . 1.6 p-10 -137.64 26.39 2.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.176 -0.953 . . . . 0.0 110.156 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.508 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -67.48 -58.98 7.68 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 0.0 109.802 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.508 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 48.0 Cg_endo -74.09 -46.25 0.32 Allowed 'Trans proline' 0 C--N 1.31 -1.458 0 O-C-N 123.478 1.252 . . . . 0.0 110.086 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.78 -150.81 0.33 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.455 -0.778 . . . . 0.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.0 49.21 1.86 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.931 . . . . 0.0 110.168 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.418 ' HG3' ' N ' ' A' ' 18' ' ' SER . 9.4 ptp -54.43 -40.24 68.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.253 -0.904 . . . . 0.0 110.161 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 17' ' ' MET . 4.7 m -65.76 160.08 64.19 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.295 -0.878 . . . . 0.0 110.136 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HG2' HD13 ' A' ' 22' ' ' LEU . 47.5 Cg_endo -85.71 20.0 1.3 Allowed 'Trans proline' 0 C--N 1.313 -1.337 0 O-C-N 123.754 1.397 . . . . 0.0 111.654 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.65 -67.43 0.12 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.245 -0.909 . . . . 0.0 111.444 179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.49 -46.2 18.87 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.113 -0.992 . . . . 0.0 110.9 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.653 ' N ' HD12 ' A' ' 22' ' ' LEU . 9.9 mp -80.55 -43.18 21.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.228 -0.92 . . . . 0.0 109.368 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -51.68 -53.12 42.46 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.723 -0.61 . . . . 0.0 110.32 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -71.05 -33.35 70.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.229 -0.919 . . . . 0.0 110.138 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -51.58 43.91 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.231 -0.918 . . . . 0.0 110.153 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.636 HG23 HD13 ' A' ' 52' ' ' LEU . 95.3 mt -59.71 -50.96 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.0 110.181 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -62.4 -33.36 74.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.339 -0.851 . . . . 0.0 110.254 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -80.03 -40.33 28.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.305 -0.872 . . . . 0.0 110.301 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.0 mt -71.08 -34.69 71.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 110.375 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.443 ' N ' HD21 ' A' ' 52' ' ' LEU . 1.7 tt0 -61.46 -41.58 97.45 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.212 -0.93 . . . . 0.0 110.315 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.06 -22.93 62.39 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.34 -22.02 66.81 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.277 -1.131 . . . . 0.0 110.333 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 1.025 ' CE ' HD21 ' B' ' 40' ' ' LEU . 3.3 mtp -65.46 -56.58 11.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.0 110.345 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -34.72 41.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.225 -0.922 . . . . 0.0 110.212 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -74.92 0.07 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.345 -0.847 . . . . 0.0 110.199 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.833 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 82.4 m-70 -51.71 -45.93 63.73 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 0.0 110.361 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.55 -39.0 64.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.047 -1.033 . . . . 0.0 109.131 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -66.75 -34.0 76.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.384 -0.823 . . . . 0.0 109.269 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -85.33 7.23 23.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.504 -0.748 . . . . 0.0 109.635 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.023 HD21 ' CE ' ' B' ' 33' ' ' MET . 0.3 OUTLIER 64.85 17.7 11.13 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.324 -0.86 . . . . 0.0 111.222 179.707 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' GLU . 15.6 mm-40 -65.14 -51.03 63.65 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.848 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 1.5 m-85 62.21 -57.14 0.13 Allowed 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' GLU . 33.0 tt0 -46.76 -60.4 2.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.974 -1.079 . . . . 0.0 109.715 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 16.3 pt-20 -81.13 -19.08 44.29 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.525 -0.734 . . . . 0.0 110.294 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.833 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -81.0 -51.03 8.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.055 -1.028 . . . . 0.0 111.695 -178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.833 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -80.35 -19.46 46.37 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.269 -0.894 . . . . 0.0 111.134 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -70.1 -20.54 63.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.819 -1.176 . . . . 0.0 109.974 179.435 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.403 ' HB ' ' HG3' ' A' ' 33' ' ' MET . 84.3 mt -68.06 -27.58 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.265 -0.897 . . . . 0.0 110.628 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -53.39 -27.0 21.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.059 -1.026 . . . . 0.0 110.143 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.77 -36.54 36.99 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 0.0 109.988 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.725 ' O ' HD12 ' A' ' 55' ' ' LEU . 30.4 mt-30 -74.2 -32.67 63.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.871 . . . . 0.0 110.005 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.636 HD13 HG23 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -69.03 -51.07 42.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.277 -0.89 . . . . 0.0 110.033 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -68.22 -37.56 80.98 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.308 -0.87 . . . . 0.0 110.042 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -70.5 -41.98 71.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.277 -0.889 . . . . 0.0 110.109 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 51' ' ' GLN . 6.2 mt -56.73 -31.22 64.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.282 -0.886 . . . . 0.0 110.097 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -53.57 56.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -0.891 . . . . 0.0 110.161 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.82 -44.46 77.92 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.202 -0.936 . . . . 0.0 110.059 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 58' ' ' LEU . 55.3 mt -58.06 -23.95 56.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.365 -0.834 . . . . 0.0 110.274 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -53.21 -38.6 63.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.162 -0.961 . . . . 0.0 110.215 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.9 mm -78.13 -36.7 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.162 -0.961 . . . . 0.0 110.158 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.27 66.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.901 . . . . 0.0 110.25 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.13 -65.99 0.97 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 110.227 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.209 179.928 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' B' ' 8' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.196 0.522 . . . . 0.0 110.256 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 53.1 80.98 0.27 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.875 . . . . 0.0 110.262 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' B' ' 12' ' ' ASN . 45.5 Cg_endo -72.83 -49.88 0.23 Allowed 'Trans proline' 0 C--N 1.312 -1.395 0 O-C-N 123.735 1.387 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.26 -79.65 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.459 -0.776 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' B' ' 10' ' ' PRO . 1.6 p-10 -137.58 26.34 2.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.245 -0.909 . . . . 0.0 110.128 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.523 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -67.51 -58.87 7.83 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.24 -0.912 . . . . 0.0 109.805 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 48.0 Cg_endo -74.16 -46.28 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.425 1.224 . . . . 0.0 110.047 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.87 -150.87 0.33 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.478 -0.764 . . . . 0.0 110.26 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.97 49.26 1.86 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.931 . . . . 0.0 110.191 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.43 ' HG3' ' N ' ' B' ' 18' ' ' SER . 9.4 ptp -54.39 -40.13 67.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.329 -0.857 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' B' ' 17' ' ' MET . 4.8 m -65.76 160.2 63.36 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.246 -0.909 . . . . 0.0 110.099 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.465 ' HG2' HD13 ' B' ' 22' ' ' LEU . 47.5 Cg_endo -85.83 20.0 1.3 Allowed 'Trans proline' 0 C--N 1.313 -1.323 0 O-C-N 123.642 1.338 . . . . 0.0 111.592 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.71 -67.34 0.12 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.211 -0.93 . . . . 0.0 111.412 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.63 -46.08 19.53 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.197 -0.939 . . . . 0.0 110.922 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.652 HD12 ' N ' ' B' ' 22' ' ' LEU . 10.0 mp -80.67 -43.19 20.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.906 . . . . 0.0 109.294 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -51.66 -53.1 42.53 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.682 -0.636 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -70.96 -33.47 70.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.234 -0.917 . . . . 0.0 110.133 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -51.53 44.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.293 -0.88 . . . . 0.0 110.141 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.654 HG23 HD13 ' B' ' 52' ' ' LEU . 95.3 mt -59.67 -51.08 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.887 . . . . 0.0 110.199 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -62.31 -33.34 74.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.311 -0.868 . . . . 0.0 110.228 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -80.05 -40.31 28.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.228 -0.92 . . . . 0.0 110.336 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 38.3 mt -71.12 -34.75 71.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.206 -0.934 . . . . 0.0 110.314 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.459 ' N ' HD21 ' B' ' 52' ' ' LEU . 1.7 tt0 -61.47 -41.53 97.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.23 -0.919 . . . . 0.0 110.323 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.05 -22.97 62.33 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.29 -22.1 66.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.142 -1.211 . . . . 0.0 110.355 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 1.023 ' CE ' HD21 ' A' ' 40' ' ' LEU . 3.3 mtp -65.36 -56.63 11.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.212 -0.93 . . . . 0.0 110.306 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -34.71 41.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -74.93 0.07 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.334 -0.854 . . . . 0.0 110.174 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.832 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 82.4 m-70 -51.73 -45.9 63.81 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.157 -0.965 . . . . 0.0 110.366 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.53 -39.04 64.36 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.1 -1.0 . . . . 0.0 109.146 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -66.74 -34.01 76.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.46 -0.775 . . . . 0.0 109.278 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -85.34 7.32 22.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.427 -0.796 . . . . 0.0 109.697 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 1.025 HD21 ' CE ' ' A' ' 33' ' ' MET . 0.3 OUTLIER 64.85 17.71 11.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.307 -0.87 . . . . 0.0 111.219 179.644 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 43' ' ' GLU . 15.6 mm-40 -65.09 -51.06 63.57 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.833 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 1.5 m-85 62.02 -57.02 0.13 Allowed 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 178.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 41' ' ' GLU . 33.0 tt0 -46.76 -60.44 2.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.997 -1.064 . . . . 0.0 109.745 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.465 ' OE1' ' CE1' ' B' ' 36' ' ' HIS . 16.3 pt-20 -81.09 -19.03 44.54 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.606 -0.684 . . . . 0.0 110.354 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.832 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.99 -51.09 8.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.031 -1.043 . . . . 0.0 111.645 -178.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.848 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -80.38 -19.45 46.31 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.197 -0.939 . . . . 0.0 111.093 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.4 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -70.1 -20.56 63.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.885 -1.135 . . . . 0.0 109.972 179.439 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.405 ' HB ' ' HG3' ' B' ' 33' ' ' MET . 83.9 mt -68.1 -27.56 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.254 -0.904 . . . . 0.0 110.652 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 1.0 OUTLIER -53.3 -27.05 21.01 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.051 -1.031 . . . . 0.0 110.229 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -36.49 37.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 0.0 109.949 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.732 ' O ' HD12 ' B' ' 55' ' ' LEU . 30.5 mt-30 -74.32 -32.62 62.9 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 0.0 109.985 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.654 HD13 HG23 ' B' ' 26' ' ' ILE . 0.3 OUTLIER -69.05 -51.03 43.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.361 -0.837 . . . . 0.0 110.072 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -68.19 -37.55 81.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 0.0 110.079 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -70.45 -42.11 71.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.876 . . . . 0.0 110.127 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.732 HD12 ' O ' ' B' ' 51' ' ' GLN . 6.2 mt -56.57 -31.25 64.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 0.0 110.205 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' B' ' 59' ' ' PHE . 0.1 OUTLIER -56.48 -53.74 53.91 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.314 -0.866 . . . . 0.0 110.065 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -55.8 -44.44 77.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.913 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' B' ' 58' ' ' LEU . 54.8 mt -58.12 -23.83 56.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -0.91 . . . . 0.0 110.232 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' B' ' 56' ' ' ARG . 50.3 t80 -53.31 -38.58 63.29 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.249 -0.907 . . . . 0.0 110.203 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.404 HD12 HG23 ' B' ' 60' ' ' ILE . 41.8 mm -78.01 -36.8 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.224 -0.922 . . . . 0.0 110.17 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.26 66.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.225 -0.922 . . . . 0.0 110.217 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.16 -65.96 0.97 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.305 -0.872 . . . . 0.0 110.186 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.209 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.228 0.537 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -171.68 61.72 0.33 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.256 -0.902 . . . . 0.0 110.249 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.1 Cg_endo -72.8 -49.18 0.26 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.659 1.347 . . . . 0.0 110.282 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 57.39 -83.4 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.686 -0.634 . . . . 0.0 110.635 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 10' ' ' PRO . 6.9 p30 -134.71 42.5 2.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.144 -0.973 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.667 HG12 ' HD3' ' A' ' 14' ' ' PRO . 8.9 p -76.95 -25.14 0.49 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.894 . . . . 0.0 112.632 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.667 ' HD3' HG12 ' A' ' 13' ' ' VAL . 51.0 Cg_endo -84.78 -58.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.325 -0.709 0 N-CA-C 110.008 -0.805 . . . . 0.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ptp -175.86 167.79 3.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.387 -0.82 . . . . 0.0 110.154 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.52 74.77 0.05 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.259 -0.901 . . . . 0.0 110.125 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' SER . 3.5 ptt? -58.97 -27.06 65.02 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.261 -0.899 . . . . 0.0 110.397 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.437 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . 0.8 OUTLIER -96.33 161.7 26.08 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.216 -0.927 . . . . 0.0 110.315 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' ALA . 49.8 Cg_endo -85.25 14.9 2.34 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 O-C-N 123.641 1.337 . . . . 0.0 111.548 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER 66.39 -63.02 0.26 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.307 -0.87 . . . . 0.0 110.911 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.19 -46.97 24.25 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.157 -0.964 . . . . 0.0 110.356 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.875 HD11 HD11 ' A' ' 26' ' ' ILE . 4.3 tp -77.08 -60.28 2.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.351 -0.843 . . . . 0.0 109.37 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.437 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 49.1 tt0 -47.0 -33.95 5.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.466 -0.772 . . . . 0.0 110.504 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -73.27 -36.12 66.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 109.977 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -46.8 61.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 0.0 110.111 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.875 HD11 HD11 ' A' ' 22' ' ' LEU . 58.8 mt -56.44 -55.39 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.301 -0.874 . . . . 0.0 110.136 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -55.74 -28.84 57.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.279 -0.888 . . . . 0.0 110.204 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.41 -40.97 41.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 110.189 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.578 ' HB2' HD21 ' A' ' 52' ' ' LEU . 86.8 mt -77.41 -42.22 37.04 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 110.212 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -37.56 84.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.221 -0.924 . . . . 0.0 110.133 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.76 -25.08 76.34 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.619 -1.393 . . . . 0.0 109.619 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HB3' HD13 ' A' ' 48' ' ' ILE . 7.7 tp -71.36 -40.63 70.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.254 -1.145 . . . . 0.0 110.103 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.643 ' HE1' HD23 ' B' ' 40' ' ' LEU . 11.8 mtp -53.96 -49.62 68.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.197 -0.94 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' B' ' 38' ' ' GLN . 4.1 mtp -51.92 -44.25 63.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.296 -0.877 . . . . 0.0 110.466 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.148 -0.97 . . . . 0.0 110.501 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.643 ' ND1' ' HB2' ' A' ' 45' ' ' ALA . 4.6 m170 -54.07 -50.62 66.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -0.909 . . . . 0.0 110.394 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -47.23 -33.56 5.56 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.439 -0.788 . . . . 0.0 110.205 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -79.1 -34.06 43.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 109.443 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.674 ' C ' HD12 ' A' ' 40' ' ' LEU . 55.0 m-20 -94.33 23.45 5.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.46 -0.775 . . . . 0.0 109.742 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.705 ' N ' HD12 ' A' ' 40' ' ' LEU . 5.0 mp 55.76 27.81 11.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.514 -0.741 . . . . 0.0 110.734 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . 28.7 mm-40 -106.34 18.11 22.46 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.305 -0.872 . . . . 0.0 109.887 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.03 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.0 p90 -60.52 -8.89 3.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.424 -0.798 . . . . 0.0 111.969 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -49.81 -67.13 0.29 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.428 -1.42 . . . . 0.0 109.316 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 3.2 pt-20 -81.9 -19.57 40.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.549 -0.719 . . . . 0.0 109.733 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 1.03 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -77.63 -48.98 15.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.424 -0.798 . . . . 0.0 111.522 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.69 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -51.62 -23.37 4.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.11 -0.994 . . . . 0.0 110.509 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -52.57 -34.03 48.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.951 -1.093 . . . . 0.0 109.83 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.687 HG22 HD23 ' A' ' 52' ' ' LEU . 70.5 mt -53.11 -27.46 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.358 -0.839 . . . . 0.0 109.204 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -50.89 -34.5 28.49 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.57 -0.706 . . . . 0.0 109.524 179.121 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.28 -33.83 72.05 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.4 -0.813 . . . . 0.0 109.757 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.444 ' O ' HD12 ' A' ' 55' ' ' LEU . 28.9 mt-30 -79.01 -40.35 31.71 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.286 -0.884 . . . . 0.0 109.95 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.687 HD23 HG22 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -61.2 -42.36 98.44 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.273 -0.892 . . . . 0.0 110.21 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.13 -41.23 95.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.217 -0.927 . . . . 0.0 110.297 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -42.62 60.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.235 -0.916 . . . . 0.0 110.31 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.2 OUTLIER -67.11 -22.87 65.79 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.187 -0.945 . . . . 0.0 110.274 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -71.69 -54.42 10.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.28 -0.888 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 3.4 pt-20 -58.48 -22.48 55.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.27 -0.894 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -71.25 -19.89 62.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.249 -0.907 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.543 ' HA ' HD23 ' A' ' 22' ' ' LEU . 24.9 t80 -51.18 -42.15 60.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.241 -0.912 . . . . 0.0 110.464 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.9 -34.4 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.277 -0.89 . . . . 0.0 110.141 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.48 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -65.62 -22.11 66.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.256 -0.903 . . . . 0.0 110.128 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.27 -58.87 2.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.195 -0.94 . . . . 0.0 110.179 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.187 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.173 0.511 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -171.65 61.67 0.33 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.323 -0.861 . . . . 0.0 110.29 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.8 Cg_endo -72.7 -49.31 0.26 Allowed 'Trans proline' 0 C--N 1.31 -1.472 0 O-C-N 123.753 1.396 . . . . 0.0 110.332 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' B' ' 10' ' ' PRO . 5.1 m-20 57.46 -83.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.64 -0.663 . . . . 0.0 110.563 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' B' ' 10' ' ' PRO . 7.0 p30 -134.65 42.46 2.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.11 -0.994 . . . . 0.0 110.316 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.667 HG12 ' HD3' ' B' ' 14' ' ' PRO . 8.9 p -76.97 -25.05 0.49 Allowed Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.289 -0.882 . . . . 0.0 112.71 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.667 ' HD3' HG12 ' B' ' 13' ' ' VAL . 50.6 Cg_endo -84.83 -59.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.73 0 N-CA-C 109.919 -0.839 . . . . 0.0 109.919 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ptp -175.87 167.75 3.06 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.323 -0.861 . . . . 0.0 110.158 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.54 74.83 0.05 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.266 -0.896 . . . . 0.0 110.144 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.433 ' HG3' ' N ' ' B' ' 18' ' ' SER . 3.5 ptt? -58.99 -27.04 65.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.355 -0.841 . . . . 0.0 110.433 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' B' ' 23' ' ' GLN . 0.8 OUTLIER -96.38 161.75 25.88 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.203 -0.935 . . . . 0.0 110.296 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' B' ' 21' ' ' ALA . 49.7 Cg_endo -85.23 14.91 2.34 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.71 1.373 . . . . 0.0 111.546 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' B' ' 19' ' ' PRO . 0.4 OUTLIER 66.29 -62.96 0.26 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.32 -0.863 . . . . 0.0 110.915 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.16 -47.03 23.91 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.121 -0.987 . . . . 0.0 110.407 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.867 HD11 HD11 ' B' ' 26' ' ' ILE . 4.3 tp -77.07 -60.36 2.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.859 . . . . 0.0 109.358 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.448 ' HB2' ' HB3' ' B' ' 18' ' ' SER . 49.1 tt0 -46.9 -33.9 4.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.569 -0.707 . . . . 0.0 110.561 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -73.23 -36.14 66.4 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.006 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -46.77 61.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.089 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.867 HD11 HD11 ' B' ' 22' ' ' LEU . 59.1 mt -56.38 -55.46 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -0.944 . . . . 0.0 110.104 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -55.73 -28.85 58.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.206 -0.934 . . . . 0.0 110.195 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -77.38 -40.92 42.1 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.0 110.218 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.567 ' HB2' HD21 ' B' ' 52' ' ' LEU . 87.1 mt -77.38 -42.4 36.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.19 -0.944 . . . . 0.0 110.175 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -37.47 84.22 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.261 -0.9 . . . . 0.0 110.145 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.9 -25.14 76.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.528 ' HB3' HD13 ' B' ' 48' ' ' ILE . 7.7 tp -71.21 -40.58 71.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.163 -1.198 . . . . 0.0 110.17 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.64 ' HE1' HD23 ' A' ' 40' ' ' LEU . 11.9 mtp -54.1 -49.65 68.63 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.905 . . . . 0.0 110.236 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 4.1 mtp -51.68 -44.35 63.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -77.99 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.199 -0.938 . . . . 0.0 110.452 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.65 ' ND1' ' HB2' ' B' ' 45' ' ' ALA . 4.5 m170 -54.11 -50.74 66.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.199 -0.938 . . . . 0.0 110.358 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -47.24 -33.28 5.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.375 -0.828 . . . . 0.0 110.18 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.419 ' O ' ' CE ' ' A' ' 34' ' ' MET . 1.8 mt-30 -79.3 -34.2 42.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.222 -0.924 . . . . 0.0 109.493 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.671 ' C ' HD12 ' B' ' 40' ' ' LEU . 54.8 m-20 -94.22 23.41 5.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.395 -0.815 . . . . 0.0 109.732 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.706 HD12 ' N ' ' B' ' 40' ' ' LEU . 5.0 mp 55.85 27.87 11.59 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.464 -0.773 . . . . 0.0 110.709 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.427 ' HB2' ' HA ' ' B' ' 36' ' ' HIS . 28.9 mm-40 -106.48 18.09 22.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.197 -0.939 . . . . 0.0 109.94 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 1.024 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 4.7 p90 -60.38 -9.11 3.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.461 -0.774 . . . . 0.0 111.896 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -49.7 -67.17 0.28 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.473 -1.392 . . . . 0.0 109.204 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 3.2 pt-20 -81.87 -19.55 40.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.491 -0.756 . . . . 0.0 109.717 178.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 1.024 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -77.76 -49.29 14.69 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.433 -0.792 . . . . 0.0 111.55 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.707 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -51.44 -23.43 3.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 110.41 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.41 -34.08 46.64 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.98 -1.075 . . . . 0.0 109.778 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.705 HG22 HD23 ' B' ' 52' ' ' LEU . 70.4 mt -53.06 -27.46 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.303 -0.873 . . . . 0.0 109.199 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.1 OUTLIER -50.94 -34.56 29.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.475 -0.765 . . . . 0.0 109.47 179.153 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.19 -33.8 72.17 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.324 -0.86 . . . . 0.0 109.791 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.439 ' O ' HD12 ' B' ' 55' ' ' LEU . 28.9 mt-30 -79.02 -40.38 31.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 0.0 109.93 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.705 HD23 HG22 ' B' ' 48' ' ' ILE . 0.8 OUTLIER -61.32 -42.19 98.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.307 -0.87 . . . . 0.0 110.218 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.24 -41.17 94.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.332 -0.855 . . . . 0.0 110.316 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.89 -42.61 60.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.213 -0.93 . . . . 0.0 110.282 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.439 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.2 OUTLIER -67.14 -22.87 65.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.263 -0.898 . . . . 0.0 110.216 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -71.63 -54.47 10.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.187 -0.946 . . . . 0.0 110.207 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 3.4 pt-20 -58.53 -22.48 55.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.223 -0.923 . . . . 0.0 110.25 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' B' ' 61' ' ' ALA . 0.4 OUTLIER -71.23 -19.9 62.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.299 -0.875 . . . . 0.0 110.329 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . 0.536 ' HA ' HD23 ' B' ' 22' ' ' LEU . 24.7 t80 -51.09 -42.29 60.53 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.123 -0.986 . . . . 0.0 110.43 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 41.8 mm -73.87 -34.38 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.872 . . . . 0.0 110.168 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.492 ' HB3' HD23 ' B' ' 58' ' ' LEU . . . -65.63 -22.09 66.63 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.313 -0.867 . . . . 0.0 110.133 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.26 -58.87 2.09 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.257 -0.902 . . . . 0.0 110.228 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.194 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.236 0.541 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 1.8 pt-20 -159.55 54.6 0.66 Allowed Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.226 -0.921 . . . . 0.0 110.187 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.7 Cg_endo -72.93 -47.99 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.416 0 O-C-N 123.668 1.352 . . . . 0.0 110.417 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.36 -81.21 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.354 -0.841 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -156.49 23.19 0.35 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.207 -0.933 . . . . 0.0 110.211 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.539 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.5 t -82.65 -59.77 0.39 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.945 . . . . 0.0 110.342 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.539 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 49.2 Cg_endo -74.77 -52.26 0.11 Allowed 'Trans proline' 0 C--N 1.312 -1.385 0 O-C-N 123.331 1.174 . . . . 0.0 110.367 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.6 tpt 53.68 -162.6 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.39 -0.819 . . . . 0.0 110.069 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -165.29 70.9 0.16 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.108 -0.995 . . . . 0.0 110.383 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -178.87 -43.53 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.315 -0.865 . . . . 0.0 110.026 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -177.82 133.42 0.34 Allowed Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.278 -0.889 . . . . 0.0 109.64 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.569 ' HG2' HD13 ' A' ' 22' ' ' LEU . 47.7 Cg_endo -79.25 53.52 4.75 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.472 1.249 . . . . 0.0 111.202 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.42 -67.01 0.12 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.406 -0.809 . . . . 0.0 111.563 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.39 -45.01 12.37 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.145 -0.972 . . . . 0.0 111.208 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.695 ' N ' HD12 ' A' ' 22' ' ' LEU . 7.5 mp -80.43 -43.39 21.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.174 -0.954 . . . . 0.0 109.878 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -50.47 -42.5 54.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.594 -0.691 . . . . 0.0 110.656 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -80.05 -43.81 21.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.138 -0.976 . . . . 0.0 110.582 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -63.47 -34.78 78.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.231 -0.918 . . . . 0.0 110.494 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.0 mt -75.22 -51.48 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.157 -0.964 . . . . 0.0 110.459 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -64.16 -23.57 67.36 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.167 -0.958 . . . . 0.0 110.423 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -80.1 -59.89 2.54 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.222 -0.924 . . . . 0.0 110.445 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.779 ' HB3' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -54.37 -29.92 50.13 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 110.479 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -56.52 10.42 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.922 . . . . 0.0 110.363 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.71 -22.18 59.22 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.16 -25.13 47.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.162 -1.199 . . . . 0.0 110.382 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.433 ' CE ' HD23 ' B' ' 40' ' ' LEU . 0.5 OUTLIER -63.01 -43.79 97.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.159 -0.963 . . . . 0.0 110.515 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -31.37 39.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.187 -0.946 . . . . 0.0 110.591 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -77.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.211 -0.931 . . . . 0.0 110.677 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.879 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 20.5 m170 -55.07 -50.56 68.83 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.169 -0.957 . . . . 0.0 110.523 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.26 -37.82 17.12 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.209 -0.932 . . . . 0.0 110.042 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -67.75 -33.32 74.61 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.0 109.391 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -92.12 19.32 6.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.405 -0.809 . . . . 0.0 109.636 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.557 HD23 ' CE ' ' B' ' 33' ' ' MET . 5.7 mp 55.65 23.59 6.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.394 -0.816 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.59 -46.01 70.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.19 -0.944 . . . . 0.0 108.966 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.703 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 2.4 m-85 48.25 -176.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.692 -0.63 . . . . 0.0 111.162 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 29.8 tt0 66.05 -62.71 0.25 Allowed 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.722 0.772 . . . . 0.0 108.957 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' PHE . 18.1 pt-20 -82.37 -33.04 28.93 Favored 'General case' 0 C--N 1.29 -2.004 0 O-C-N 121.789 -0.569 . . . . 0.0 109.834 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.879 ' HB2' ' HB2' ' A' ' 36' ' ' HIS . . . -80.68 -44.9 18.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.35 -0.844 . . . . 0.0 111.26 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.706 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -74.86 -19.63 60.08 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.169 -0.957 . . . . 0.0 111.07 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 12.2 mm-40 -77.16 -19.92 56.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.987 -1.071 . . . . 0.0 110.238 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.724 HG23 HD23 ' A' ' 29' ' ' LEU . 70.3 mt -70.59 -28.89 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.161 -0.962 . . . . 0.0 110.426 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -53.32 -27.33 22.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.099 -1.001 . . . . 0.0 109.924 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.41 -39.6 46.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -0.842 . . . . 0.0 109.885 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.659 ' O ' HD12 ' A' ' 55' ' ' LEU . 19.4 mt-30 -73.73 -42.78 60.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.359 -0.838 . . . . 0.0 109.977 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.41 -37.8 88.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.357 -0.839 . . . . 0.0 110.104 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -73.95 -34.57 64.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.278 -0.888 . . . . 0.0 110.141 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -80.45 -31.2 37.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.224 -0.923 . . . . 0.0 110.19 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -58.07 -31.38 67.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.3 -0.875 . . . . 0.0 110.742 -179.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -58.45 -22.38 54.36 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.101 -1.0 . . . . 0.0 110.317 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -77.83 -38.26 46.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.261 -0.899 . . . . 0.0 109.972 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 61' ' ' ALA . 1.8 mt -57.02 -19.86 21.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.273 -0.892 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.402 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 46.5 t80 -50.04 -45.21 52.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.169 -0.957 . . . . 0.0 110.412 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mt -74.11 -34.6 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 0.0 110.206 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.421 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -71.58 -21.89 61.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 110.156 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.05 -61.75 1.34 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.242 -0.911 . . . . 0.0 110.228 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.215 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.281 0.562 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.422 ' N ' ' CD ' ' B' ' 10' ' ' PRO . 1.8 pt-20 -159.53 54.67 0.67 Allowed Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.234 -0.916 . . . . 0.0 110.199 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.3 Cg_endo -72.99 -47.94 0.3 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.732 1.385 . . . . 0.0 110.415 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.36 -81.2 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.45 -0.781 . . . . 0.0 110.465 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' B' ' 10' ' ' PRO . 0.2 OUTLIER -156.58 23.29 0.34 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.248 -0.908 . . . . 0.0 110.159 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.548 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.5 t -82.72 -59.65 0.39 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.118 -0.989 . . . . 0.0 110.349 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.548 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 49.1 Cg_endo -74.79 -52.24 0.11 Allowed 'Trans proline' 0 C--N 1.313 -1.324 0 O-C-N 123.24 1.126 . . . . 0.0 110.379 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.6 tpt 53.66 -162.55 0.11 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.276 -0.89 . . . . 0.0 110.083 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -165.32 70.88 0.16 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.213 -0.929 . . . . 0.0 110.374 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 5.4 ptt? -178.86 -43.48 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.274 -0.892 . . . . 0.0 110.064 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.3 p -177.78 133.35 0.34 Allowed Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.343 -0.848 . . . . 0.0 109.655 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.58 ' HG2' HD13 ' B' ' 22' ' ' LEU . 48.0 Cg_endo -79.17 53.57 4.77 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 O-C-N 123.373 1.196 . . . . 0.0 111.267 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.32 -66.97 0.11 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.424 -0.798 . . . . 0.0 111.593 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.36 -45.01 12.27 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.245 -0.909 . . . . 0.0 111.21 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.677 HD12 ' N ' ' B' ' 22' ' ' LEU . 7.5 mp -80.47 -43.3 21.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.209 -0.932 . . . . 0.0 109.874 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -50.54 -42.45 55.29 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.51 -0.744 . . . . 0.0 110.676 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -80.15 -43.71 21.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.187 -0.946 . . . . 0.0 110.571 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -63.36 -34.93 78.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 110.538 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 93.9 mt -75.23 -51.48 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.189 -0.945 . . . . 0.0 110.345 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -64.17 -23.58 67.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.251 -0.905 . . . . 0.0 110.362 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.16 -59.84 2.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.22 -0.925 . . . . 0.0 110.438 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.762 ' HB3' HD23 ' B' ' 52' ' ' LEU . 0.5 OUTLIER -54.29 -30.02 49.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.229 -0.92 . . . . 0.0 110.437 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -56.59 10.19 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.243 -0.91 . . . . 0.0 110.36 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.74 -22.09 59.17 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.25 -25.11 46.72 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.221 -1.164 . . . . 0.0 110.324 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.557 ' CE ' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.1 -43.73 97.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.263 -0.898 . . . . 0.0 110.527 -179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.01 -31.45 39.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.3 -0.875 . . . . 0.0 110.682 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -77.52 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.163 -0.961 . . . . 0.0 110.602 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.858 ' HB2' ' HB2' ' B' ' 45' ' ' ALA . 20.5 m170 -55.09 -50.44 69.18 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.148 -0.97 . . . . 0.0 110.538 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.3 -37.79 17.28 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.151 -0.968 . . . . 0.0 110.051 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -67.79 -33.29 74.52 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.322 -0.861 . . . . 0.0 109.363 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -92.22 19.41 7.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.438 -0.789 . . . . 0.0 109.616 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.433 HD23 ' CE ' ' A' ' 33' ' ' MET . 5.7 mp 55.64 23.53 6.24 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.474 -0.766 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -68.48 -45.99 70.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.172 -0.955 . . . . 0.0 108.938 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.706 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 2.4 m-85 48.17 -176.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.715 -0.616 . . . . 0.0 111.152 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 29.8 tt0 66.09 -62.78 0.25 Allowed 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 121.758 0.789 . . . . 0.0 109.028 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' B' ' 42' ' ' PHE . 18.0 pt-20 -82.27 -33.03 29.3 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-O 121.355 0.598 . . . . 0.0 109.92 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.858 ' HB2' ' HB2' ' B' ' 36' ' ' HIS . . . -80.75 -44.83 18.01 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.286 -0.883 . . . . 0.0 111.195 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.703 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -74.9 -19.65 60.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.22 -0.925 . . . . 0.0 111.114 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 12.2 mm-40 -77.23 -19.84 56.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.917 -1.114 . . . . 0.0 110.305 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.733 HG23 HD23 ' B' ' 29' ' ' LEU . 70.4 mt -70.62 -28.9 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -0.882 . . . . 0.0 110.421 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.4 OUTLIER -53.22 -27.31 21.35 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.13 -0.981 . . . . 0.0 109.977 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -77.58 -39.36 45.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.303 -0.873 . . . . 0.0 109.874 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.662 ' O ' HD12 ' B' ' 55' ' ' LEU . 19.3 mt-30 -73.79 -42.78 60.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.978 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' B' ' 29' ' ' LEU . 0.5 OUTLIER -64.42 -37.93 89.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.351 -0.843 . . . . 0.0 110.036 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 0.6 OUTLIER -73.95 -34.45 64.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.292 -0.88 . . . . 0.0 110.153 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -80.48 -31.25 37.35 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 110.222 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.662 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.4 OUTLIER -58.09 -31.33 67.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.315 -0.866 . . . . 0.0 110.786 -179.553 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' B' ' 53' ' ' HIS . 0.0 OUTLIER -58.5 -22.29 54.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.143 -0.973 . . . . 0.0 110.321 -179.758 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -77.82 -38.28 46.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.38 -0.825 . . . . 0.0 109.989 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.406 HD23 ' HB3' ' B' ' 61' ' ' ALA . 1.8 mt -57.02 -19.86 21.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.346 -0.846 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . 0.403 ' HA ' ' CD2' ' B' ' 22' ' ' LEU . 46.7 t80 -49.96 -45.32 51.34 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.213 -0.93 . . . . 0.0 110.414 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.1 mt -74.05 -34.73 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.263 -0.898 . . . . 0.0 110.165 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.406 ' HB3' HD23 ' B' ' 58' ' ' LEU . . . -71.44 -21.97 61.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.279 -0.888 . . . . 0.0 110.176 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.98 -61.83 1.33 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.238 -0.914 . . . . 0.0 110.215 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.169 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.266 0.555 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.472 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -76.84 -57.51 1.19 Allowed Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.344 -0.848 . . . . 0.0 110.566 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 9' ' ' GLU . 47.1 Cg_endo -73.42 -53.79 0.12 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 O-C-N 123.576 1.303 . . . . 0.0 110.626 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.14 -80.15 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.366 -0.833 . . . . 0.0 110.358 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -148.68 22.34 1.01 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.221 -0.924 . . . . 0.0 110.074 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -78.36 -57.87 0.85 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.238 -0.914 . . . . 0.0 110.141 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 47.4 Cg_endo -74.58 -53.44 0.1 Allowed 'Trans proline' 0 C--N 1.31 -1.478 0 O-C-N 123.33 1.174 . . . . 0.0 110.216 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.2 ttt 51.12 -148.33 0.36 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.386 -0.822 . . . . 0.0 110.289 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 57.95 68.17 0.87 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.132 -0.98 . . . . 0.0 110.041 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.422 ' O ' ' CG ' ' A' ' 23' ' ' GLN . 25.2 ptt? -49.35 -27.3 3.84 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.391 -0.818 . . . . 0.0 110.549 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 0.5 OUTLIER 56.85 166.13 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.277 -0.89 . . . . 0.0 110.347 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.514 ' HG2' HD13 ' A' ' 22' ' ' LEU . 48.7 Cg_endo -78.97 49.8 3.27 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 O-C-N 123.555 1.292 . . . . 0.0 111.661 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 60.27 -72.36 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.363 -0.836 . . . . 0.0 112.339 178.809 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -45.04 -49.64 11.3 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.089 -1.007 . . . . 0.0 111.311 -178.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.67 ' N ' HD12 ' A' ' 22' ' ' LEU . 8.9 mp -80.56 -37.3 31.65 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.156 -0.965 . . . . 0.0 109.546 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 17' ' ' MET . 36.1 tt0 -51.03 -44.53 61.08 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.592 -0.693 . . . . 0.0 110.35 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -75.99 -50.8 13.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.303 -0.873 . . . . 0.0 110.32 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -53.57 -36.22 61.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.915 . . . . 0.0 110.286 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.988 HG23 HD11 ' A' ' 52' ' ' LEU . 96.6 mt -78.96 -46.57 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.78 -21.96 65.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.27 -0.894 . . . . 0.0 110.243 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.418 ' OE1' ' CA ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -78.77 -52.52 8.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.285 -0.884 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.554 ' HB2' HD21 ' A' ' 52' ' ' LEU . 8.5 mt -75.36 -35.54 61.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.238 -0.914 . . . . 0.0 110.235 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -67.58 -37.4 82.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.28 -29.67 55.86 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 48' ' ' ILE . 0.9 OUTLIER -62.52 -33.83 75.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.25 -1.147 . . . . 0.0 110.233 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.653 ' CE ' HD23 ' B' ' 40' ' ' LEU . 1.4 mtp -56.21 -30.51 62.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.322 -0.861 . . . . 0.0 110.219 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.64 -32.22 62.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.278 -0.889 . . . . 0.0 110.304 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -76.36 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -0.886 . . . . 0.0 110.363 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.848 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 13.5 m170 -54.0 -49.01 69.82 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.162 -0.962 . . . . 0.0 110.375 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 33' ' ' MET . . . -48.87 -37.3 19.16 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.179 -0.951 . . . . 0.0 110.061 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.27 -36.07 82.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.311 -0.868 . . . . 0.0 109.572 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -92.3 20.34 6.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.415 -0.803 . . . . 0.0 109.697 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.53 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.3 mp 55.22 24.65 6.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.466 -0.771 . . . . 0.0 110.786 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.479 ' HG2' ' CD2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -66.86 -48.35 69.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.121 -0.987 . . . . 0.0 109.122 178.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.741 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 5.3 m-85 48.93 -176.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.632 -0.668 . . . . 0.0 111.084 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.504 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 31.3 tt0 65.85 -62.37 0.25 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.772 0.796 . . . . 0.0 109.322 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' PHE . 15.6 pt-20 -82.28 -32.26 29.67 Favored 'General case' 0 C--N 1.291 -1.968 0 O-C-N 121.754 -0.591 . . . . 0.0 110.081 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.848 ' HB2' ' HB2' ' A' ' 36' ' ' HIS . . . -80.74 -44.39 18.72 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.268 -0.895 . . . . 0.0 111.21 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.751 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -75.02 -33.99 61.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.113 -0.992 . . . . 0.0 110.935 -179.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.425 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 34.9 mt-30 -54.43 -25.38 24.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.851 -1.156 . . . . 0.0 109.966 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.445 HD11 HD23 ' A' ' 32' ' ' LEU . 62.9 mt -62.81 -26.42 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 110.223 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -53.08 -26.29 15.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.142 -0.974 . . . . 0.0 109.903 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -77.84 -40.49 40.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.366 -0.834 . . . . 0.0 109.807 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.716 ' O ' HD12 ' A' ' 55' ' ' LEU . 29.3 mt-30 -64.72 -37.18 86.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.303 -0.873 . . . . 0.0 109.859 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.988 HD11 HG23 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -69.82 -42.1 74.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.873 . . . . 0.0 110.037 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -54.17 -41.07 68.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 0.0 110.008 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.32 -30.52 38.12 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.895 . . . . 0.0 110.126 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.2 OUTLIER -69.21 -39.23 78.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 110.494 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 3.3 ppt_? -58.84 -22.34 58.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.202 -0.936 . . . . 0.0 110.266 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 56' ' ' ARG . 33.6 mt-10 -66.05 -39.04 89.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.28 -0.887 . . . . 0.0 109.971 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.558 ' HB3' HD21 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -53.63 -22.72 9.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.344 -0.848 . . . . 0.0 110.193 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.54 -36.45 55.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.932 . . . . 0.0 110.218 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.91 -42.31 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 0.0 110.157 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.32 -21.96 65.64 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.262 -0.899 . . . . 0.0 110.147 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.55 -60.04 1.61 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 110.194 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.132 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.319 0.581 . . . . 0.0 110.157 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.472 ' CB ' ' CD ' ' B' ' 10' ' ' PRO . 0.1 OUTLIER -76.83 -57.5 1.19 Allowed Pre-proline 0 N--CA 1.492 1.675 0 O-C-N 121.284 -0.885 . . . . 0.0 110.516 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' B' ' 9' ' ' GLU . 46.2 Cg_endo -73.5 -53.66 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.314 0 O-C-N 123.546 1.287 . . . . 0.0 110.589 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.05 -80.15 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.351 -0.843 . . . . 0.0 110.338 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' B' ' 10' ' ' PRO . 0.2 OUTLIER -148.64 22.28 1.02 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.227 -0.921 . . . . 0.0 110.093 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.521 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -78.36 -57.86 0.85 Allowed Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 110.072 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.521 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 48.2 Cg_endo -74.55 -53.45 0.11 Allowed 'Trans proline' 0 C--N 1.312 -1.392 0 O-C-N 123.338 1.178 . . . . 0.0 110.295 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.2 ttt 51.24 -148.47 0.36 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.385 -0.822 . . . . 0.0 110.227 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 58.01 68.13 0.87 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.115 -0.99 . . . . 0.0 110.053 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.419 ' O ' ' CG ' ' B' ' 23' ' ' GLN . 25.2 ptt? -49.24 -27.4 3.68 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.301 -0.874 . . . . 0.0 110.555 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.412 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 0.5 OUTLIER 56.83 166.11 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.257 -0.902 . . . . 0.0 110.472 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.536 ' HG2' HD13 ' B' ' 22' ' ' LEU . 49.4 Cg_endo -78.93 49.74 3.24 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 O-C-N 123.582 1.306 . . . . 0.0 111.686 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 60.26 -72.38 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.42 -0.8 . . . . 0.0 112.295 178.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.06 -49.52 11.49 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.144 -0.972 . . . . 0.0 111.331 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.672 HD12 ' N ' ' B' ' 22' ' ' LEU . 8.9 mp -80.66 -37.34 31.06 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.278 -0.889 . . . . 0.0 109.473 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' B' ' 17' ' ' MET . 35.9 tt0 -51.04 -44.46 61.07 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.469 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -75.99 -50.83 13.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.913 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.435 ' O ' HD12 ' B' ' 29' ' ' LEU . 0.6 OUTLIER -53.52 -36.18 61.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 0.0 110.342 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 1.046 HG23 HD11 ' B' ' 52' ' ' LEU . 96.6 mt -79.11 -46.64 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.196 -0.94 . . . . 0.0 110.176 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -22.07 64.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.268 -0.895 . . . . 0.0 110.25 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.416 ' CA ' ' OE1' ' B' ' 28' ' ' GLU . 0.0 OUTLIER -78.76 -52.48 8.31 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.185 -0.947 . . . . 0.0 110.232 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.526 ' HB2' HD21 ' B' ' 52' ' ' LEU . 8.5 mt -75.4 -35.48 61.01 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.182 -0.949 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -67.65 -37.55 82.58 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.324 -0.86 . . . . 0.0 110.203 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.24 -29.69 55.95 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.435 HD23 HD11 ' B' ' 48' ' ' ILE . 0.9 OUTLIER -62.4 -33.87 75.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -1.13 . . . . 0.0 110.204 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.433 ' CG ' ' HB ' ' B' ' 48' ' ' ILE . 1.4 mtp -56.19 -30.4 62.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 110.314 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 3.6 ttm -74.81 -32.21 61.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.236 -0.915 . . . . 0.0 110.27 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -76.4 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.225 -0.922 . . . . 0.0 110.365 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.85 ' HB2' ' HB2' ' B' ' 45' ' ' ALA . 13.6 m170 -53.97 -49.01 69.73 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.929 . . . . 0.0 110.366 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' B' ' 33' ' ' MET . . . -48.94 -37.04 18.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.104 -0.997 . . . . 0.0 110.077 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -36.09 82.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 0.0 109.515 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -92.26 20.2 6.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.335 -0.853 . . . . 0.0 109.745 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.653 HD23 ' CE ' ' A' ' 33' ' ' MET . 6.3 mp 55.27 24.62 6.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.407 -0.808 . . . . 0.0 110.786 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' B' ' 36' ' ' HIS . 0.0 OUTLIER -66.78 -48.53 68.75 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.209 -0.932 . . . . 0.0 109.073 178.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.751 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 5.1 m-85 49.0 -176.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.603 -0.686 . . . . 0.0 111.185 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 31.3 tt0 65.83 -62.26 0.25 Allowed 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.678 0.751 . . . . 0.0 109.221 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.474 ' OE1' ' CE1' ' B' ' 36' ' ' HIS . 15.6 pt-20 -82.26 -32.23 29.73 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 121.755 -0.59 . . . . 0.0 110.012 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.85 ' HB2' ' HB2' ' B' ' 36' ' ' HIS . . . -80.82 -44.65 18.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.193 -0.942 . . . . 0.0 111.287 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.741 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -74.9 -33.95 62.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.086 -1.009 . . . . 0.0 110.783 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 34.4 mt-30 -54.47 -25.43 25.2 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.843 -1.161 . . . . 0.0 109.953 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.435 HD11 HD23 ' B' ' 32' ' ' LEU . 63.1 mt -62.68 -26.38 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -0.886 . . . . 0.0 110.22 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.2 OUTLIER -53.09 -26.25 15.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.136 -0.978 . . . . 0.0 109.913 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -77.79 -40.67 39.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.396 -0.815 . . . . 0.0 109.819 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.729 ' O ' HD12 ' B' ' 55' ' ' LEU . 29.3 mt-30 -64.59 -37.24 86.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.263 -0.898 . . . . 0.0 109.9 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 1.046 HD11 HG23 ' B' ' 26' ' ' ILE . 0.5 OUTLIER -69.8 -42.12 74.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.303 -0.873 . . . . 0.0 109.998 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.427 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 0.2 OUTLIER -54.19 -40.99 68.08 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.246 -0.909 . . . . 0.0 109.947 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -80.38 -30.63 37.87 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.235 -0.916 . . . . 0.0 110.073 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.729 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.2 OUTLIER -69.07 -39.15 79.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.282 -0.886 . . . . 0.0 110.607 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' B' ' 53' ' ' HIS . 3.3 ppt_? -58.91 -22.26 59.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.168 -0.958 . . . . 0.0 110.277 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' B' ' 56' ' ' ARG . 33.6 mt-10 -66.12 -39.09 89.64 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.268 -0.895 . . . . 0.0 109.931 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.557 ' HB3' HD21 ' B' ' 22' ' ' LEU . 0.4 OUTLIER -53.55 -22.74 8.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.341 -0.849 . . . . 0.0 110.162 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -52.58 -36.42 56.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 0.0 110.244 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.87 -42.36 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.41 -21.87 65.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.361 -0.837 . . . . 0.0 110.142 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.63 -60.06 1.6 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.223 -0.923 . . . . 0.0 110.195 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.232 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.229 0.538 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -159.38 68.25 3.14 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.289 -0.882 . . . . 0.0 110.182 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' ASN . 47.6 Cg_endo -72.8 -51.69 0.18 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.769 1.405 . . . . 0.0 110.432 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.79 -80.55 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.434 -0.791 . . . . 0.0 110.377 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 10' ' ' PRO . 2.7 t-20 -158.61 52.32 0.41 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.136 -0.978 . . . . 0.0 110.165 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.531 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -88.03 -48.39 0.45 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.955 . . . . 0.0 110.146 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.531 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 43.9 Cg_endo -82.38 -70.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.256 1.135 . . . . 0.0 110.24 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -177.46 95.58 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.225 -0.922 . . . . 0.0 110.127 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.17 59.53 0.65 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.232 -0.917 . . . . 0.0 110.248 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.8 ptm -54.83 -37.13 65.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.229 -0.919 . . . . 0.0 110.266 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.434 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 5.1 m -71.79 169.09 17.26 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.248 -0.907 . . . . 0.0 110.186 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' ALA . 46.0 Cg_endo -85.82 20.07 1.29 Allowed 'Trans proline' 0 C--N 1.312 -1.343 0 O-C-N 123.661 1.348 . . . . 0.0 111.713 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.01 -68.05 0.1 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.268 -0.895 . . . . 0.0 111.577 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.31 -47.61 18.36 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.177 -0.952 . . . . 0.0 110.891 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.664 ' N ' HD12 ' A' ' 22' ' ' LEU . 8.9 mp -80.54 -41.64 23.8 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.348 -0.845 . . . . 0.0 109.42 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.434 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 37.4 tt0 -51.48 -51.99 50.44 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.655 -0.653 . . . . 0.0 110.374 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.3 -53.27 38.51 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.314 -0.866 . . . . 0.0 110.343 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -39.8 62.98 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.21 -0.931 . . . . 0.0 110.306 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.47 HG23 HD11 ' A' ' 52' ' ' LEU . 95.7 mt -75.15 -54.44 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.161 -0.962 . . . . 0.0 110.214 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -62.95 -29.44 70.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.268 -0.895 . . . . 0.0 110.291 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -77.84 -48.33 16.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.228 -0.92 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.75 HD22 HD12 ' A' ' 48' ' ' ILE . 24.3 mt -63.94 -42.16 97.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.17 -48.29 73.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.273 -0.892 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.17 -25.87 74.34 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.4 -27.96 64.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.266 -1.138 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.8 mtp -58.87 -61.38 2.67 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -0.927 . . . . 0.0 110.329 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.1 tpp -53.33 -39.89 64.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.221 -0.925 . . . . 0.0 110.158 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -73.88 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.852 . . . . 0.0 110.057 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.812 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 5.1 m-70 -52.62 -46.18 66.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.325 -0.859 . . . . 0.0 110.225 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.61 -43.73 72.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.039 -1.038 . . . . 0.0 109.153 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -59.62 -32.11 70.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.322 -0.861 . . . . 0.0 109.127 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -89.85 15.26 10.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.419 -0.801 . . . . 0.0 109.513 178.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.6 mp 56.7 20.13 4.84 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.47 -0.769 . . . . 0.0 111.246 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' GLU . 1.2 mm-40 -65.33 -51.96 57.08 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.881 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 3.1 m-85 61.71 -57.45 0.11 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 178.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' GLU . 25.5 tt0 -47.88 -59.41 3.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.807 -1.183 . . . . 0.0 109.477 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' A' ' 36' ' ' HIS . 13.0 pt-20 -81.4 -19.44 42.59 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.667 -0.646 . . . . 0.0 110.304 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.812 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -82.04 -51.14 8.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.111 -0.993 . . . . 0.0 112.071 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.868 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -80.23 -20.04 45.53 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.103 -0.998 . . . . 0.0 111.546 -178.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 48' ' ' ILE . 7.2 pt20 -67.67 -26.95 66.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.768 -1.207 . . . . 0.0 109.346 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.75 HD12 HD22 ' A' ' 29' ' ' LEU . 40.7 mm -56.84 -28.92 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.188 -0.945 . . . . 0.0 109.206 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -30.86 47.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.537 -0.727 . . . . 0.0 109.495 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -76.16 -35.73 59.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.882 . . . . 0.0 109.845 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.75 ' O ' HD12 ' A' ' 55' ' ' LEU . 22.4 mt-30 -76.24 -42.57 45.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.0 110.025 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -61.72 -46.65 88.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.247 -0.908 . . . . 0.0 110.215 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.3 -40.85 74.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -71.03 -49.89 39.97 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.194 -0.941 . . . . 0.0 110.241 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.75 HD12 ' O ' ' A' ' 51' ' ' GLN . 5.2 mt -55.14 -21.42 13.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.314 -0.867 . . . . 0.0 110.244 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -52.36 56.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 110.267 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.53 -33.75 73.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.92 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 55' ' ' LEU . 38.4 mt -68.97 -23.04 64.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.247 -0.908 . . . . 0.0 110.209 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -58.3 -48.13 81.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.25 -0.906 . . . . 0.0 110.163 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -72.83 -45.47 56.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.947 . . . . 0.0 110.217 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.49 -27.42 25.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.19 -61.19 1.62 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.286 -0.884 . . . . 0.0 110.218 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.212 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.289 0.566 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -159.3 68.17 3.16 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.205 -0.934 . . . . 0.0 110.21 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.4 Cg_endo -72.84 -51.6 0.18 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 O-C-N 123.72 1.379 . . . . 0.0 110.427 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.78 -80.56 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.488 -0.758 . . . . 0.0 110.427 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' B' ' 10' ' ' PRO . 2.7 t-20 -158.66 52.36 0.41 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.179 -0.951 . . . . 0.0 110.112 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.516 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -88.1 -48.34 0.45 Allowed Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.153 -0.967 . . . . 0.0 110.164 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.516 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 44.3 Cg_endo -82.31 -70.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.35 0 O-C-N 123.299 1.157 . . . . 0.0 110.313 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -177.37 95.62 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -0.91 . . . . 0.0 110.151 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.14 59.49 0.65 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.257 -0.902 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 14.7 ptm -54.9 -37.18 66.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.174 -0.954 . . . . 0.0 110.141 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.428 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 5.2 m -71.81 169.11 17.2 Favored Pre-proline 0 N--CA 1.492 1.656 0 O-C-N 121.314 -0.866 . . . . 0.0 110.182 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' B' ' 21' ' ' ALA . 46.5 Cg_endo -85.81 20.11 1.29 Allowed 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.712 1.375 . . . . 0.0 111.671 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.88 -68.02 0.09 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.319 -0.863 . . . . 0.0 111.646 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.3 -47.66 18.31 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.122 -0.986 . . . . 0.0 110.913 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.667 HD12 ' N ' ' B' ' 22' ' ' LEU . 8.9 mp -80.49 -41.62 24.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.253 -0.904 . . . . 0.0 109.399 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.428 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 37.5 tt0 -51.4 -52.11 48.85 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.665 -0.647 . . . . 0.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -66.18 -53.31 38.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.332 -0.855 . . . . 0.0 110.385 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -39.76 63.07 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.24 -0.913 . . . . 0.0 110.328 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.468 HG23 HD11 ' B' ' 52' ' ' LEU . 95.5 mt -75.08 -54.44 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.159 -0.963 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -63.01 -29.33 70.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.226 -0.922 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -77.97 -48.33 16.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.221 -0.924 . . . . 0.0 110.239 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.74 HD22 HD12 ' B' ' 48' ' ' ILE . 24.5 mt -63.85 -42.18 97.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.234 -0.916 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.29 -48.26 74.34 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.202 -0.936 . . . . 0.0 110.261 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.11 -25.82 74.31 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -70.58 -28.04 64.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.189 -1.183 . . . . 0.0 110.205 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.427 ' CE ' HD23 ' A' ' 40' ' ' LEU . 1.8 mtp -58.83 -61.33 2.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 0.0 110.366 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 34.4 tpp -53.3 -39.89 64.35 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.167 -0.958 . . . . 0.0 110.193 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -53.06 -73.9 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.312 -0.868 . . . . 0.0 110.081 179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.81 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 5.1 m-70 -52.58 -46.19 66.81 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.204 -0.935 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.81 72.81 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.122 -0.986 . . . . 0.0 109.203 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' B' ' 35' ' ' GLN . 2.0 mt-30 -59.4 -32.17 69.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.363 -0.835 . . . . 0.0 109.1 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -89.79 15.2 10.15 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.49 -0.756 . . . . 0.0 109.513 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.543 HD12 ' N ' ' B' ' 40' ' ' LEU . 6.5 mp 56.58 20.27 4.82 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.501 -0.749 . . . . 0.0 111.272 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 43' ' ' GLU . 1.2 mm-40 -65.42 -51.81 57.67 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.868 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 3.0 m-85 61.69 -57.47 0.11 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 178.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' B' ' 41' ' ' GLU . 25.4 tt0 -47.88 -59.56 3.25 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.753 -1.217 . . . . 0.0 109.507 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.474 ' HG3' ' CD2' ' B' ' 36' ' ' HIS . 13.0 pt-20 -81.38 -19.27 43.0 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.657 -0.652 . . . . 0.0 110.333 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.81 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -82.2 -50.96 8.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.071 -1.018 . . . . 0.0 111.938 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.881 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -80.34 -20.01 45.17 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.209 -0.932 . . . . 0.0 111.558 -178.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' B' ' 48' ' ' ILE . 7.2 pt20 -67.67 -26.86 66.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.863 -1.148 . . . . 0.0 109.344 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.74 HD12 HD22 ' B' ' 29' ' ' LEU . 40.8 mm -56.95 -28.91 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.227 -0.921 . . . . 0.0 109.173 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -30.82 47.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.557 -0.715 . . . . 0.0 109.568 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -76.26 -35.61 58.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.305 -0.872 . . . . 0.0 109.831 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.759 ' O ' HD12 ' B' ' 55' ' ' LEU . 22.3 mt-30 -76.23 -42.64 45.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.898 . . . . 0.0 110.057 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.496 HD23 ' HB3' ' B' ' 29' ' ' LEU . 0.3 OUTLIER -61.73 -46.62 88.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.271 -0.893 . . . . 0.0 110.163 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -40.9 75.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.322 -0.861 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -70.9 -50.0 39.73 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.759 HD12 ' O ' ' B' ' 51' ' ' GLN . 5.2 mt -55.11 -21.37 12.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.229 -0.92 . . . . 0.0 110.321 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -52.26 57.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 110.334 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.51 -34.05 73.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.249 -0.907 . . . . 0.0 110.169 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' B' ' 55' ' ' LEU . 38.7 mt -68.83 -23.04 64.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.301 -0.875 . . . . 0.0 110.228 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.24 -48.06 81.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 110.296 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -72.87 -45.36 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 0.0 110.217 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.63 -27.46 27.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.257 -0.902 . . . . 0.0 110.217 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.06 -61.29 1.61 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.922 . . . . 0.0 110.198 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.172 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.306 0.574 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 5.6 mt-10 53.09 55.1 13.63 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.22 -0.925 . . . . 0.0 110.26 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.4 Cg_endo -72.82 -46.41 0.42 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 O-C-N 123.767 1.404 . . . . 0.0 110.407 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.54 -82.25 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.537 -0.727 . . . . 0.0 110.38 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 10' ' ' PRO . 2.5 p-10 -154.32 22.08 0.48 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.193 -0.942 . . . . 0.0 110.28 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.526 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -88.62 -48.07 0.43 Allowed Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.254 -0.903 . . . . 0.0 110.249 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.526 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 43.2 Cg_endo -82.45 -75.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.363 0 O-C-N 123.337 1.177 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -176.38 167.08 2.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.18 -0.95 . . . . 0.0 110.186 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -119.28 35.99 4.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.273 -0.892 . . . . 0.0 110.253 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -54.63 -28.68 48.52 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.242 -0.911 . . . . 0.0 110.16 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 10.5 m 56.2 169.69 0.05 OUTLIER Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.268 -0.895 . . . . 0.0 110.298 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.444 ' HG2' HD13 ' A' ' 22' ' ' LEU . 46.4 Cg_endo -86.28 19.64 1.36 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 O-C-N 123.659 1.347 . . . . 0.0 111.662 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? 63.86 -68.0 0.09 Allowed 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.323 -0.861 . . . . 0.0 111.576 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.16 -46.62 17.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.208 -0.932 . . . . 0.0 110.998 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.661 ' N ' HD12 ' A' ' 22' ' ' LEU . 9.1 mp -80.47 -42.85 21.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.267 -0.896 . . . . 0.0 109.426 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.437 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 20.7 tt0 -51.97 -44.82 64.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.682 -0.636 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -46.97 61.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.194 -0.941 . . . . 0.0 110.188 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -60.69 -49.25 78.28 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 81.7 mt -54.4 -56.77 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 0.0 110.148 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.88 -19.93 65.82 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.229 -0.92 . . . . 0.0 110.325 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.61 -47.57 16.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -0.934 . . . . 0.0 110.224 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 mt -52.84 -37.26 59.94 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 110.235 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -45.12 83.67 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.295 -0.878 . . . . 0.0 110.18 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.96 -32.42 82.03 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -78.04 -23.18 48.26 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.251 -1.147 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.582 ' HE3' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -61.87 -58.86 6.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.283 -0.885 . . . . 0.0 110.395 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.4 ttm -63.06 -31.93 73.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.227 -0.92 . . . . 0.0 110.308 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -76.3 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.93 . . . . 0.0 110.298 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.785 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 23.3 m-70 -52.48 -50.86 61.88 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.19 -0.944 . . . . 0.0 110.41 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.76 -43.91 38.2 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.169 -0.957 . . . . 0.0 110.064 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -58.9 -33.42 70.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 0.0 109.266 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -91.6 17.13 9.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.379 -0.826 . . . . 0.0 109.623 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD23 ' CE ' ' B' ' 33' ' ' MET . 5.6 mp 55.9 25.41 8.58 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.41 -0.806 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -69.57 -45.86 67.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.113 -0.992 . . . . 0.0 109.021 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.641 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 7.4 m-85 48.93 -177.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.665 -0.647 . . . . 0.0 111.274 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 30.1 tt0 66.18 -63.25 0.24 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.774 0.797 . . . . 0.0 109.033 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.47 ' OE1' ' CD2' ' A' ' 36' ' ' HIS . 11.6 pt-20 -82.62 -31.45 28.85 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-O 121.369 0.604 . . . . 0.0 109.708 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.785 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -80.96 -46.26 15.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.424 -0.798 . . . . 0.0 111.135 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.642 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -74.38 -19.55 60.39 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.272 -0.892 . . . . 0.0 110.977 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 14.9 mm-40 -72.91 -19.81 61.2 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.959 -1.088 . . . . 0.0 110.212 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.475 HD13 ' OE1' ' A' ' 51' ' ' GLN . 50.5 mm -70.36 -29.49 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.118 -0.989 . . . . 0.0 110.69 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.582 ' HA ' ' HE3' ' A' ' 33' ' ' MET . 0.7 OUTLIER -52.88 -27.48 18.73 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.028 -1.045 . . . . 0.0 110.107 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.03 -36.41 41.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.371 -0.831 . . . . 0.0 109.785 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.475 ' OE1' HD13 ' A' ' 48' ' ' ILE . 29.6 mt-30 -68.41 -33.99 75.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.885 . . . . 0.0 110.021 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 52' ' ' LEU . 2.7 mt -54.03 -52.02 62.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.874 . . . . 0.0 110.011 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -70.49 -38.35 74.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.355 -0.84 . . . . 0.0 110.121 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.94 -43.66 98.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.107 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 51' ' ' GLN . 2.0 mp -71.13 -23.97 62.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.247 -0.908 . . . . 0.0 110.147 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -59.47 -53.53 57.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.255 -0.903 . . . . 0.0 110.145 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.6 pt-20 -62.67 -23.37 67.08 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 0.0 110.147 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.473 HD23 HD21 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -70.95 -22.15 62.25 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.208 -0.933 . . . . 0.0 110.145 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -53.31 -47.0 69.63 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 0.0 110.183 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.5 mt -66.45 -48.79 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.911 . . . . 0.0 110.152 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.34 -24.46 29.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 110.091 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.33 -70.98 0.67 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.274 -0.891 . . . . 0.0 110.202 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.266 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.168 0.509 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.412 ' N ' ' CD ' ' B' ' 10' ' ' PRO . 5.6 mt-10 53.03 55.16 13.74 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.323 -0.861 . . . . 0.0 110.269 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.3 Cg_endo -72.93 -46.36 0.4 Allowed 'Trans proline' 0 C--N 1.312 -1.371 0 O-C-N 123.701 1.369 . . . . 0.0 110.372 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.55 -82.17 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.463 -0.773 . . . . 0.0 110.458 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 10' ' ' PRO . 2.5 p-10 -154.34 22.09 0.48 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.217 -0.927 . . . . 0.0 110.218 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.53 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -88.62 -48.04 0.43 Allowed Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.265 -0.897 . . . . 0.0 110.291 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.53 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 43.7 Cg_endo -82.5 -75.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.354 0 O-C-N 123.255 1.134 . . . . 0.0 110.43 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -176.42 167.1 2.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.165 -0.959 . . . . 0.0 110.173 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -119.34 36.0 4.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.22 -0.925 . . . . 0.0 110.239 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -54.63 -28.77 49.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.181 -0.949 . . . . 0.0 110.108 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.438 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 10.6 m 56.14 169.72 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.313 -0.867 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.45 ' HG2' HD13 ' B' ' 22' ' ' LEU . 45.7 Cg_endo -86.27 19.62 1.36 Allowed 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.696 1.367 . . . . 0.0 111.628 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? 63.89 -68.17 0.09 Allowed 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.325 -0.859 . . . . 0.0 111.625 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.99 -46.76 16.6 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.141 -0.974 . . . . 0.0 111.002 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.658 HD12 ' N ' ' B' ' 22' ' ' LEU . 9.2 mp -80.5 -42.75 21.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -0.911 . . . . 0.0 109.415 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.438 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 20.8 tt0 -52.01 -44.84 64.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.654 -0.654 . . . . 0.0 110.345 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -47.12 61.32 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -0.923 . . . . 0.0 110.246 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -60.53 -49.33 77.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.219 -0.926 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 81.9 mt -54.4 -56.77 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.135 -0.978 . . . . 0.0 110.152 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.87 -19.94 65.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.207 -0.933 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -78.59 -47.5 17.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.275 -0.891 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mt -52.9 -37.22 60.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.227 -0.92 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -45.15 83.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.309 -0.87 . . . . 0.0 110.193 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.93 -32.5 82.27 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -77.98 -23.1 48.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -1.125 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.57 ' HE3' ' HA ' ' B' ' 49' ' ' ARG . 0.0 OUTLIER -61.91 -58.88 6.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.321 -0.862 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.5 ttm -63.09 -31.87 73.12 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.245 -0.909 . . . . 0.0 110.307 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -76.33 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.264 -0.897 . . . . 0.0 110.315 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.797 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 23.4 m-70 -52.39 -50.98 61.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 110.388 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.75 -43.78 37.93 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.197 -0.939 . . . . 0.0 110.11 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -58.97 -33.44 70.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.256 -0.902 . . . . 0.0 109.216 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -91.61 17.22 9.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.438 -0.789 . . . . 0.0 109.596 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mp 55.82 25.46 8.47 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.513 -0.742 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -69.51 -45.97 67.65 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.188 -0.945 . . . . 0.0 109.003 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.642 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 7.3 m-85 49.01 -177.57 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.676 -0.64 . . . . 0.0 111.282 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 30.1 tt0 66.15 -63.23 0.24 Allowed 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 121.815 0.817 . . . . 0.0 108.995 -178.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.473 ' OE1' ' CD2' ' B' ' 36' ' ' HIS . 11.6 pt-20 -82.69 -31.45 28.6 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.419 0.628 . . . . 0.0 109.677 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.797 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.89 -46.28 15.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.3 -0.875 . . . . 0.0 111.11 -179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.641 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -74.43 -19.53 60.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.136 -0.978 . . . . 0.0 110.981 -178.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 14.8 mm-40 -72.98 -19.71 61.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.956 -1.09 . . . . 0.0 110.202 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.493 HD13 ' OE1' ' B' ' 51' ' ' GLN . 50.6 mm -70.38 -29.52 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.155 -0.966 . . . . 0.0 110.601 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.57 ' HA ' ' HE3' ' B' ' 33' ' ' MET . 0.7 OUTLIER -52.81 -27.55 18.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.039 -1.038 . . . . 0.0 110.149 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.0 -36.43 41.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.307 -0.871 . . . . 0.0 109.808 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.493 ' OE1' HD13 ' B' ' 48' ' ' ILE . 29.9 mt-30 -68.4 -34.01 75.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.323 -0.861 . . . . 0.0 109.984 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' ' 52' ' ' LEU . 2.7 mt -54.05 -51.94 62.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.294 -0.879 . . . . 0.0 109.976 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -70.53 -38.5 74.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.26 -0.9 . . . . 0.0 109.976 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -60.81 -43.81 97.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.251 -0.905 . . . . 0.0 110.095 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.419 ' CD1' ' O ' ' B' ' 51' ' ' GLN . 2.0 mp -71.07 -24.09 62.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.309 -0.869 . . . . 0.0 110.102 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -59.37 -53.6 56.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.316 -0.865 . . . . 0.0 110.158 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.5 pt-20 -62.67 -23.32 67.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.347 -0.846 . . . . 0.0 110.161 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.47 HD23 HD21 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -70.94 -22.17 62.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.317 -0.865 . . . . 0.0 110.187 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -53.21 -47.06 69.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.249 -0.907 . . . . 0.0 110.116 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 10.4 mt -66.49 -48.89 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.263 -0.898 . . . . 0.0 110.143 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.12 -24.6 26.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.913 . . . . 0.0 110.157 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.34 -71.02 0.67 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.227 -0.921 . . . . 0.0 110.122 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.239 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' C ' HD23 ' A' ' 8' ' ' LEU . 4.0 tt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.199 0.523 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 53.22 74.53 0.76 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.258 -0.901 . . . . 0.0 110.182 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' ASN . 46.6 Cg_endo -72.92 -50.8 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.431 0 O-C-N 123.672 1.354 . . . . 0.0 110.468 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.42 -79.21 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.415 -0.803 . . . . 0.0 110.471 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' PRO . 2.3 p-10 -145.23 25.45 1.38 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.226 -0.921 . . . . 0.0 110.045 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.523 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.1 t -54.5 -49.12 92.72 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.39 -0.819 . . . . 0.0 110.145 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 45.1 Cg_endo -80.17 -85.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.318 0 O-C-N 123.267 1.141 . . . . 0.0 110.116 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.32 85.44 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.076 -1.015 . . . . 0.0 110.325 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -175.83 70.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 0.0 110.093 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.46 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 4.8 ptp -56.18 -33.89 65.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.199 -0.938 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.483 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -176.43 -60.37 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.137 -0.977 . . . . 0.0 110.683 179.595 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.528 ' HB3' HD22 ' A' ' 22' ' ' LEU . 40.4 Cg_endo -71.6 -86.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.273 0 O-C-N 123.367 1.193 . . . . 0.0 111.646 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 68.94 -66.54 0.24 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.386 -0.821 . . . . 0.0 108.983 -178.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CD ' ' A' ' 25' ' ' LYS . . . -57.18 -28.21 62.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.117 -0.989 . . . . 0.0 108.82 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.66 ' N ' HD12 ' A' ' 22' ' ' LEU . 8.2 mp -77.79 -48.87 15.53 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -50.01 -55.82 13.16 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.497 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -45.31 93.82 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.359 -0.838 . . . . 0.0 110.416 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 21' ' ' ALA . 3.4 mttp -62.28 -52.97 61.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.119 -0.988 . . . . 0.0 110.365 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.1 mt -53.0 -50.7 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 110.238 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.46 -19.87 63.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.278 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.16 -39.18 55.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.0 110.242 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' O ' HG21 ' A' ' 48' ' ' ILE . 18.3 mt -78.82 -40.91 31.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -0.909 . . . . 0.0 110.151 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.802 ' HB2' HD11 ' A' ' 52' ' ' LEU . 20.4 tt0 -53.3 -42.44 66.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.298 -0.876 . . . . 0.0 110.176 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.18 -21.06 65.9 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' HA ' HD12 ' A' ' 32' ' ' LEU . 29.1 tp -56.43 -55.99 26.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -1.206 . . . . 0.0 110.406 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.658 ' HA ' ' HB1' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -79.52 -19.83 48.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.068 -1.02 . . . . 0.0 110.205 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.93 52.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.125 -0.984 . . . . 0.0 109.963 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 36' ' ' HIS . 6.2 pt20 -54.35 -24.95 21.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.17 -0.956 . . . . 0.0 109.65 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -80.19 -55.42 4.93 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.433 -0.792 . . . . 0.0 109.83 179.391 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.064 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -49.91 -35.86 25.35 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.207 -0.933 . . . . 0.0 109.546 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.41 ' HG2' ' HG2' ' B' ' 38' ' ' GLN . 27.5 mt-30 -71.26 -36.88 71.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.404 -0.81 . . . . 0.0 109.211 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -95.46 25.66 4.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.463 -0.773 . . . . 0.0 109.68 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp 56.1 44.97 24.39 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.6 -0.687 . . . . 0.0 110.762 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 4.3 mm-40 -128.11 18.02 6.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.279 -0.888 . . . . 0.0 109.954 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.01 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 7.3 p90 -60.42 -9.6 3.8 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.454 -0.779 . . . . 0.0 111.724 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -49.52 -68.08 0.21 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.553 -1.342 . . . . 0.0 109.305 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 4.0 pt-20 -81.34 -19.35 42.99 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.576 -0.702 . . . . 0.0 109.624 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 1.01 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -77.57 -54.34 6.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.325 -0.859 . . . . 0.0 111.33 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.679 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -44.53 -29.99 0.81 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.352 -0.842 . . . . 0.0 111.117 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -55.74 -32.94 63.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.034 -1.042 . . . . 0.0 109.704 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.02 HG22 HD23 ' A' ' 52' ' ' LEU . 35.6 mm -51.26 -33.21 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.318 -0.864 . . . . 0.0 109.725 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -29.68 4.51 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.507 -0.745 . . . . 0.0 109.525 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.17 -40.2 78.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.428 -0.795 . . . . 0.0 109.235 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.588 ' O ' HD12 ' A' ' 55' ' ' LEU . 28.3 mt-30 -80.22 -30.83 38.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.437 -0.789 . . . . 0.0 109.685 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.02 HD23 HG22 ' A' ' 48' ' ' ILE . 1.2 mm? -65.41 -40.5 93.48 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.456 -0.777 . . . . 0.0 110.152 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -74.53 -39.55 62.29 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.925 . . . . 0.0 110.158 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -64.66 -51.97 59.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.225 -0.922 . . . . 0.0 110.259 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -62.46 -32.23 73.08 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.843 . . . . 0.0 110.153 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.07 -47.3 86.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.233 -0.917 . . . . 0.0 110.186 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.22 -32.8 49.97 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.274 -0.891 . . . . 0.0 110.197 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.4 mt -75.72 -32.73 60.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.156 -0.965 . . . . 0.0 110.176 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.93 -44.8 74.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.237 -0.914 . . . . 0.0 110.151 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.38 -41.26 91.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.305 -0.872 . . . . 0.0 110.117 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.71 -21.44 64.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.237 -0.914 . . . . 0.0 110.246 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -104.05 -58.77 1.83 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.228 -0.92 . . . . 0.0 110.141 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.972 -1.014 . . . . 0.0 110.23 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.4 HD23 ' C ' ' B' ' 8' ' ' LEU . 4.0 tt . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.232 0.539 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 53.19 74.54 0.75 Allowed Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.222 -0.924 . . . . 0.0 110.221 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.3 Cg_endo -72.97 -50.81 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.428 0 O-C-N 123.757 1.398 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.55 -79.21 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.379 -0.826 . . . . 0.0 110.468 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 10' ' ' PRO . 2.3 p-10 -145.23 25.43 1.38 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.081 -1.012 . . . . 0.0 110.155 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.5 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.1 t -54.5 -49.09 92.88 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.276 -0.89 . . . . 0.0 110.133 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.5 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 44.8 Cg_endo -80.27 -85.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.373 0 O-C-N 123.415 1.218 . . . . 0.0 110.134 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.38 85.44 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.064 -1.022 . . . . 0.0 110.27 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -175.81 70.22 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.0 110.125 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.448 ' CG ' ' HD2' ' B' ' 19' ' ' PRO . 4.8 ptp -56.2 -33.94 65.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.263 -0.898 . . . . 0.0 110.278 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.488 ' CB ' ' CD ' ' B' ' 19' ' ' PRO . 0.4 OUTLIER -176.32 -60.3 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 121.053 -1.029 . . . . 0.0 110.684 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.542 ' HB3' HD22 ' B' ' 22' ' ' LEU . 40.1 Cg_endo -71.68 -86.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.313 -1.3 0 O-C-N 123.387 1.203 . . . . 0.0 111.663 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 68.88 -66.47 0.25 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.319 -0.863 . . . . 0.0 109.015 -178.676 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.417 ' O ' ' CD ' ' B' ' 25' ' ' LYS . . . -57.28 -28.08 62.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.165 -0.959 . . . . 0.0 108.806 178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.665 HD12 ' N ' ' B' ' 22' ' ' LEU . 8.3 mp -77.77 -48.99 15.28 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -49.9 -55.82 12.91 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.552 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.31 93.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.871 . . . . 0.0 110.445 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.417 ' CD ' ' O ' ' B' ' 21' ' ' ALA . 3.4 mttp -62.35 -53.03 61.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.264 -0.898 . . . . 0.0 110.366 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 68.2 mt -52.88 -50.76 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.133 -0.979 . . . . 0.0 110.209 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -69.37 -19.96 63.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.349 -0.845 . . . . 0.0 110.268 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.13 -39.06 55.97 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.218 -0.926 . . . . 0.0 110.34 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.518 ' O ' HG21 ' B' ' 48' ' ' ILE . 18.2 mt -78.9 -40.91 30.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.197 -0.939 . . . . 0.0 110.103 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.824 ' HB2' HD11 ' B' ' 52' ' ' LEU . 20.5 tt0 -53.38 -42.32 66.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.855 . . . . 0.0 110.201 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.17 -21.19 65.64 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' B' ' 35' ' ' GLN . 29.2 tp -56.41 -56.09 25.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.204 -1.174 . . . . 0.0 110.369 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.657 ' HA ' ' HB1' ' B' ' 45' ' ' ALA . 0.3 OUTLIER -79.37 -19.92 48.99 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.122 -0.986 . . . . 0.0 110.253 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -53.99 51.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.165 -0.959 . . . . 0.0 109.987 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' B' ' 36' ' ' HIS . 6.2 pt20 -54.26 -25.06 21.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -0.999 . . . . 0.0 109.567 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' B' ' 45' ' ' ALA . 0.1 OUTLIER -80.24 -55.37 4.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.474 -0.766 . . . . 0.0 109.777 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 1.064 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -49.83 -35.96 24.9 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.566 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.41 ' HG2' ' HG2' ' A' ' 38' ' ' GLN . 27.5 mt-30 -71.32 -36.7 71.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.424 -0.797 . . . . 0.0 109.252 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -95.47 25.54 4.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.495 -0.753 . . . . 0.0 109.667 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mp 56.06 44.99 24.46 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.572 -0.705 . . . . 0.0 110.749 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.447 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 4.3 mm-40 -128.07 18.13 6.61 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.317 -0.865 . . . . 0.0 109.954 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 1.0 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 7.3 p90 -60.39 -9.58 3.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.437 -0.789 . . . . 0.0 111.779 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -49.59 -68.1 0.2 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.56 -1.338 . . . . 0.0 109.298 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 4.0 pt-20 -81.28 -19.36 43.15 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.523 -0.736 . . . . 0.0 109.634 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 1.0 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -77.61 -54.3 6.55 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.386 -0.821 . . . . 0.0 111.209 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.677 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -44.65 -29.94 0.84 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.39 -0.819 . . . . 0.0 111.063 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -55.77 -32.9 63.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.035 -1.04 . . . . 0.0 109.738 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.964 HG22 HD23 ' B' ' 52' ' ' LEU . 35.4 mm -51.3 -33.18 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.228 -0.92 . . . . 0.0 109.707 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.63 -29.61 4.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.484 -0.76 . . . . 0.0 109.483 179.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.11 -40.25 78.46 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.379 -0.826 . . . . 0.0 109.213 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.582 ' O ' HD12 ' B' ' 55' ' ' LEU . 28.4 mt-30 -80.36 -30.71 37.99 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.451 -0.78 . . . . 0.0 109.68 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.964 HD23 HG22 ' B' ' 48' ' ' ILE . 1.2 mm? -65.37 -40.54 93.68 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.422 -0.799 . . . . 0.0 110.181 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -74.56 -39.45 62.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 110.162 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.95 -51.83 59.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.889 . . . . 0.0 110.15 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.582 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.3 OUTLIER -62.49 -32.22 73.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.173 -0.954 . . . . 0.0 110.146 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.15 -47.31 86.45 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.3 -0.875 . . . . 0.0 110.12 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -53.06 -32.97 49.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.234 -0.916 . . . . 0.0 110.245 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.5 mt -75.49 -32.88 60.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.888 . . . . 0.0 110.185 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -54.9 -44.82 74.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.908 . . . . 0.0 110.194 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.3 -41.3 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.202 -0.936 . . . . 0.0 110.114 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.7 -21.56 64.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.0 110.26 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.87 -58.74 1.83 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.213 -0.929 . . . . 0.0 110.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.228 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.221 0.534 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -141.16 72.48 27.05 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.903 . . . . 0.0 110.163 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' ASN . 47.3 Cg_endo -72.93 -49.31 0.25 Allowed 'Trans proline' 0 C--N 1.311 -1.432 0 O-C-N 123.726 1.382 . . . . 0.0 110.468 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.41 -80.94 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.401 -0.812 . . . . 0.0 110.437 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -139.77 23.99 2.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.201 -0.937 . . . . 0.0 110.186 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.523 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -76.83 -58.32 1.09 Allowed Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.189 -0.945 . . . . 0.0 109.947 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 48.4 Cg_endo -74.56 -48.23 0.2 Allowed 'Trans proline' 0 C--N 1.311 -1.418 0 O-C-N 123.364 1.191 . . . . 0.0 110.142 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.6 tpt 54.44 99.67 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.454 -0.779 . . . . 0.0 110.169 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -110.74 -90.38 0.48 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.249 -0.907 . . . . 0.0 110.417 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 18' ' ' SER . 24.7 ptt? -176.78 -32.15 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.291 -0.88 . . . . 0.0 110.703 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' A' ' 17' ' ' MET . 3.4 m 62.17 159.21 0.12 Allowed Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.135 -0.978 . . . . 0.0 110.146 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.461 ' HG2' ' HB3' ' A' ' 22' ' ' LEU . 45.8 Cg_endo -70.46 -13.46 32.93 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 O-C-N 123.78 1.41 . . . . 0.0 111.326 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 24' ' ' GLN . 0.1 OUTLIER 64.42 -69.58 0.09 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.455 -0.778 . . . . 0.0 110.889 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.18 -52.73 14.9 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.1 -1.0 . . . . 0.0 110.29 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.69 ' C ' HD23 ' A' ' 22' ' ' LEU . 5.3 tt -67.56 -68.6 0.37 Allowed 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.52 -0.737 . . . . 0.0 109.071 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -44.13 -29.61 0.64 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.712 -0.617 . . . . 0.0 111.049 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 14.1 tm0? -80.2 -31.7 38.66 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.1 -1.0 . . . . 0.0 110.075 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -72.97 -49.67 27.77 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.338 -0.851 . . . . 0.0 110.21 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.597 ' CD1' HD21 ' A' ' 22' ' ' LEU . 73.6 mt -60.08 -45.65 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -58.88 -23.02 60.49 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.304 -0.872 . . . . 0.0 110.38 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.11 -34.13 38.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.173 -0.955 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.3 mt -78.57 -38.85 39.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 0.0 110.204 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.74 -45.14 78.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 0.0 110.195 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.28 -28.28 72.82 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.546 ' HB3' HD13 ' A' ' 48' ' ' ILE . 4.4 tp -58.33 -41.99 85.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.201 -1.176 . . . . 0.0 110.166 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.817 ' HE1' HD23 ' B' ' 40' ' ' LEU . 7.7 mtp -56.49 -42.87 79.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.233 -0.917 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.422 ' CE ' ' O ' ' B' ' 38' ' ' GLN . 0.3 OUTLIER -51.16 -37.37 45.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.274 -0.891 . . . . 0.0 110.648 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -78.15 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.923 . . . . 0.0 110.612 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.65 ' ND1' ' HB2' ' A' ' 45' ' ' ALA . 5.0 m170 -54.71 -52.5 62.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.316 -0.865 . . . . 0.0 110.91 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.49 -30.67 2.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.232 -0.918 . . . . 0.0 110.254 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.466 ' O ' ' HE1' ' B' ' 34' ' ' MET . 18.5 mt-30 -80.03 -34.49 38.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.345 -0.847 . . . . 0.0 109.426 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -95.52 25.09 4.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.37 -0.831 . . . . 0.0 109.61 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.805 HD23 ' HE1' ' B' ' 33' ' ' MET . 5.0 mp 54.34 29.0 10.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.571 -0.706 . . . . 0.0 110.583 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . 15.0 mt-10 -107.18 18.48 21.64 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.142 -0.974 . . . . 0.0 109.952 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.026 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.9 p90 -61.25 -8.23 3.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.464 -0.772 . . . . 0.0 112.024 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -49.28 -67.86 0.23 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.497 -1.377 . . . . 0.0 109.357 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 4.6 pt-20 -81.72 -19.33 41.69 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.523 -0.736 . . . . 0.0 109.661 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 1.026 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -77.52 -51.09 11.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.435 -0.79 . . . . 0.0 111.602 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.711 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -50.56 -24.21 3.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.975 -1.078 . . . . 0.0 110.399 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -53.02 -31.78 43.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.978 -1.076 . . . . 0.0 109.544 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.546 HD13 ' HB3' ' A' ' 32' ' ' LEU . 67.2 mt -53.95 -27.76 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.318 -0.864 . . . . 0.0 108.926 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -51.52 -34.79 37.76 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.583 -0.698 . . . . 0.0 109.21 178.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.61 -35.69 80.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.385 -0.822 . . . . 0.0 109.322 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.848 ' O ' HD12 ' A' ' 55' ' ' LEU . 27.6 mt-30 -76.3 -38.13 56.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 109.593 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.414 HD13 HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -67.49 -43.48 80.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.397 -0.814 . . . . 0.0 109.933 179.647 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -71.87 -40.22 69.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.56 -44.59 74.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.27 -0.894 . . . . 0.0 110.089 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 51' ' ' GLN . 2.4 mt -59.94 -23.64 63.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.249 -0.907 . . . . 0.0 110.1 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -53.25 -47.94 68.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.134 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -62.89 -44.64 95.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 110.022 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.52 -22.15 42.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.312 -0.867 . . . . 0.0 110.218 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.419 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . 8.5 t80 -53.19 -45.32 68.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.0 110.176 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 84.1 mt -76.53 -35.68 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.249 -0.907 . . . . 0.0 110.14 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.16 65.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.213 -0.929 . . . . 0.0 110.069 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.63 -73.6 0.47 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.349 -0.844 . . . . 0.0 110.161 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.184 -0.948 . . . . 0.0 110.213 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.229 0.538 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -141.08 72.39 27.49 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.231 -0.918 . . . . 0.0 110.204 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' B' ' 12' ' ' ASN . 45.8 Cg_endo -72.91 -49.43 0.24 Allowed 'Trans proline' 0 C--N 1.31 -1.45 0 O-C-N 123.751 1.395 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.6 -80.95 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.505 -0.747 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 10' ' ' PRO . 0.2 OUTLIER -139.84 24.05 2.41 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.25 -0.906 . . . . 0.0 110.086 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.523 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -76.89 -58.27 1.08 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.252 -0.905 . . . . 0.0 109.952 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 48.1 Cg_endo -74.57 -48.16 0.2 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 O-C-N 123.432 1.228 . . . . 0.0 110.184 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 14.6 tpt 54.44 99.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.315 -0.865 . . . . 0.0 110.141 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -110.71 -90.45 0.48 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.114 -0.991 . . . . 0.0 110.483 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' B' ' 18' ' ' SER . 24.7 ptt? -176.81 -32.05 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.276 -0.89 . . . . 0.0 110.666 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' B' ' 17' ' ' MET . 3.4 m 62.09 159.26 0.12 Allowed Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 121.131 -0.981 . . . . 0.0 110.182 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.447 ' HG2' ' HB3' ' B' ' 22' ' ' LEU . 45.0 Cg_endo -70.56 -13.38 32.61 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 O-C-N 123.727 1.383 . . . . 0.0 111.286 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' B' ' 24' ' ' GLN . 0.1 OUTLIER 64.4 -69.63 0.09 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.418 -0.801 . . . . 0.0 110.939 179.715 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.18 -52.7 14.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.122 -0.986 . . . . 0.0 110.29 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.682 ' C ' HD23 ' B' ' 22' ' ' LEU . 5.3 tt -67.53 -68.65 0.37 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.499 -0.751 . . . . 0.0 109.09 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -43.97 -29.76 0.62 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.712 -0.618 . . . . 0.0 111.057 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' B' ' 20' ' ' LYS . 14.2 tm0? -80.17 -31.74 38.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -0.999 . . . . 0.0 110.107 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -73.02 -49.53 28.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.308 -0.87 . . . . 0.0 110.187 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.59 ' CD1' HD21 ' B' ' 22' ' ' LEU . 73.8 mt -60.06 -45.7 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.911 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -58.89 -23.01 60.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.254 -0.904 . . . . 0.0 110.366 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -80.06 -34.16 38.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.189 -0.944 . . . . 0.0 110.296 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 17.2 mt -78.6 -38.87 38.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 0.0 110.139 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.78 -45.16 78.23 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 0.0 110.207 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.14 -28.35 72.92 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.531 ' HB3' HD13 ' B' ' 48' ' ' ILE . 4.4 tp -58.36 -41.98 85.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.308 -1.113 . . . . 0.0 110.184 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.805 ' HE1' HD23 ' A' ' 40' ' ' LEU . 7.7 mtp -56.38 -42.94 78.68 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.158 -0.963 . . . . 0.0 110.293 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.466 ' HE1' ' O ' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -51.12 -37.44 45.99 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.272 -0.893 . . . . 0.0 110.638 -179.684 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -78.06 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.164 -0.96 . . . . 0.0 110.64 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.663 ' ND1' ' HB2' ' B' ' 45' ' ' ALA . 5.0 m170 -54.75 -52.5 62.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.326 -0.859 . . . . 0.0 110.936 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.52 -30.71 2.36 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.301 -0.875 . . . . 0.0 110.341 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.422 ' O ' ' CE ' ' A' ' 34' ' ' MET . 18.6 mt-30 -79.78 -34.85 39.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.374 -0.829 . . . . 0.0 109.451 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -95.29 25.04 4.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.359 -0.838 . . . . 0.0 109.528 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.817 HD23 ' HE1' ' A' ' 33' ' ' MET . 5.0 mp 54.43 28.95 10.24 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.483 -0.761 . . . . 0.0 110.631 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.4 ' HB2' ' HA ' ' B' ' 36' ' ' HIS . 15.1 mt-10 -107.17 18.44 21.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.232 -0.918 . . . . 0.0 109.9 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 1.013 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 6.1 p90 -61.21 -8.22 3.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.367 -0.833 . . . . 0.0 111.982 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -49.29 -67.95 0.22 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.444 -1.41 . . . . 0.0 109.322 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -81.66 -19.33 41.91 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.445 -0.784 . . . . 0.0 109.69 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 1.013 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -77.56 -51.1 11.23 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.373 -0.83 . . . . 0.0 111.52 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.711 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -50.55 -24.22 3.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.099 -1.0 . . . . 0.0 110.434 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -52.95 -31.88 42.83 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.068 -1.02 . . . . 0.0 109.592 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' B' ' 32' ' ' LEU . 66.8 mt -53.85 -27.71 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.369 -0.832 . . . . 0.0 109.055 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -51.65 -34.69 39.11 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.503 -0.748 . . . . 0.0 109.156 178.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -66.67 -35.63 80.6 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.378 -0.826 . . . . 0.0 109.343 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.848 ' O ' HD12 ' B' ' 55' ' ' LEU . 27.6 mt-30 -76.2 -38.28 56.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.442 -0.786 . . . . 0.0 109.583 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.415 HD13 HG23 ' B' ' 26' ' ' ILE . 0.2 OUTLIER -67.49 -43.45 80.92 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 0.0 110.007 179.66 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -71.73 -40.33 69.49 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.384 -0.822 . . . . 0.0 110.102 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.51 -44.74 74.01 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.948 . . . . 0.0 109.975 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.848 HD12 ' O ' ' B' ' 51' ' ' GLN . 2.4 mt -59.84 -23.74 63.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.248 -0.907 . . . . 0.0 110.12 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -53.17 -47.85 68.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.284 -0.885 . . . . 0.0 110.141 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -63.12 -44.46 95.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.228 -0.92 . . . . 0.0 109.944 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -22.17 43.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.356 -0.84 . . . . 0.0 110.149 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . 0.421 ' HA ' ' CD1' ' B' ' 22' ' ' LEU . 8.5 t80 -53.24 -45.25 68.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.344 -0.848 . . . . 0.0 110.198 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 84.1 mt -76.61 -35.62 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.183 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.63 -24.35 65.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.224 -0.923 . . . . 0.0 110.131 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.47 -73.66 0.47 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.283 -0.886 . . . . 0.0 110.223 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 117.928 -1.034 . . . . 0.0 110.164 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.282 0.563 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 35.7 mt-10 -139.82 52.51 3.78 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.276 -0.89 . . . . 0.0 110.242 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 46.5 Cg_endo -72.87 -51.63 0.17 Allowed 'Trans proline' 0 C--N 1.31 -1.456 0 O-C-N 123.811 1.427 . . . . 0.0 110.364 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.08 -80.06 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.406 -0.809 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -172.31 34.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.231 -0.918 . . . . 0.0 110.191 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.536 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -81.68 -48.66 0.98 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 110.046 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.536 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 52.6 Cg_endo -84.29 -44.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 123.327 1.172 . . . . 0.0 109.749 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 ttm -53.93 129.42 33.93 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.504 -0.748 . . . . 0.0 110.424 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 52.35 54.92 9.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.232 -0.918 . . . . 0.0 110.336 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -55.95 -34.33 65.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.202 -0.937 . . . . 0.0 110.119 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.435 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 4.2 m -85.61 168.11 21.54 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.215 -0.928 . . . . 0.0 110.193 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HG2' HD13 ' A' ' 22' ' ' LEU . 46.8 Cg_endo -85.73 19.45 1.39 Allowed 'Trans proline' 0 C--N 1.313 -1.329 0 O-C-N 123.711 1.374 . . . . 0.0 111.667 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? 64.39 -67.69 0.11 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.284 -0.885 . . . . 0.0 111.512 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.25 -47.09 18.13 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.113 -0.992 . . . . 0.0 110.914 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.666 ' N ' HD12 ' A' ' 22' ' ' LEU . 9.3 mp -80.5 -41.32 24.5 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.891 . . . . 0.0 109.316 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 7.0 tt0 -51.72 -45.47 63.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.715 -0.615 . . . . 0.0 110.318 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -73.94 -47.2 39.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.221 -0.925 . . . . 0.0 110.227 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -58.25 -44.28 88.24 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.246 -0.909 . . . . 0.0 110.243 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.442 HG23 ' CD1' ' A' ' 52' ' ' LEU . 76.3 mt -63.77 -54.34 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.174 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -25.35 64.07 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.294 -0.879 . . . . 0.0 110.221 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -79.98 -50.06 10.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.24 -0.913 . . . . 0.0 110.214 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.812 ' HB3' HD23 ' A' ' 52' ' ' LEU . 4.8 mp -63.36 -34.82 78.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 0.0 110.217 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.11 -40.37 85.18 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -0.885 . . . . 0.0 110.201 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.45 -30.32 53.95 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 tp -64.81 -28.97 69.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.223 -1.163 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.408 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -62.14 -60.28 3.83 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.239 -0.913 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.5 mtp -58.23 -31.34 67.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.308 -0.87 . . . . 0.0 110.423 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.93 -76.06 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.316 -0.865 . . . . 0.0 110.424 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.82 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 17.1 m170 -56.42 -48.64 76.57 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.163 -0.961 . . . . 0.0 110.324 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.24 -39.77 31.51 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.177 -0.952 . . . . 0.0 109.9 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -64.03 -33.63 76.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 0.0 109.34 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -91.57 17.55 8.58 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.403 -0.811 . . . . 0.0 109.663 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mp 55.91 24.26 7.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.462 -0.774 . . . . 0.0 110.963 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -44.5 73.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.125 -0.984 . . . . 0.0 108.89 178.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.648 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 4.5 m-85 48.86 -177.58 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.721 -0.612 . . . . 0.0 111.328 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 36.3 tt0 65.87 -63.41 0.22 Allowed 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.793 0.806 . . . . 0.0 109.043 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 14.7 pt-20 -82.58 -30.63 29.47 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 121.374 0.607 . . . . 0.0 109.727 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.82 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -81.01 -46.65 14.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 111.146 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.663 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -74.88 -19.42 60.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.166 -0.959 . . . . 0.0 111.001 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 28.3 mt-30 -72.18 -38.32 69.13 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.962 -1.086 . . . . 0.0 110.012 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 48' ' ' ILE . 35.6 mm -50.1 -28.49 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.155 -0.965 . . . . 0.0 109.833 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -54.43 -24.7 21.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.42 -0.8 . . . . 0.0 109.26 179.202 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.27 -33.34 49.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.836 . . . . 0.0 109.832 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.465 ' O ' HD12 ' A' ' 55' ' ' LEU . 26.8 mt-30 -78.18 -41.04 35.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.386 -0.821 . . . . 0.0 109.912 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.812 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.8 -40.9 98.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.343 -0.848 . . . . 0.0 110.105 179.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -72.18 -42.4 65.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.339 -0.851 . . . . 0.0 110.138 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -66.19 -37.47 85.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 110.152 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.1 OUTLIER -64.83 -21.74 66.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.324 -0.86 . . . . 0.0 110.226 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -60.47 -64.12 1.06 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 110.151 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 9.9 pt-20 -54.77 -23.76 19.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.257 -0.902 . . . . 0.0 110.155 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -67.67 -20.12 65.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.356 -0.84 . . . . 0.0 110.227 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 17.3 t80 -52.62 -39.97 62.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.232 -0.918 . . . . 0.0 110.231 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mt -75.09 -44.51 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -0.89 . . . . 0.0 110.171 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.53 -24.35 65.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.3 -0.875 . . . . 0.0 110.199 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.12 -62.84 1.23 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.306 -0.871 . . . . 0.0 110.139 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.225 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.285 0.564 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' B' ' 10' ' ' PRO . 36.1 mt-10 -139.89 52.52 3.74 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.203 -0.935 . . . . 0.0 110.276 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' B' ' 9' ' ' GLU . 46.1 Cg_endo -72.87 -51.56 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.716 1.377 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.05 -80.09 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.498 -0.751 . . . . 0.0 110.328 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 10' ' ' PRO . 0.1 OUTLIER -172.28 34.96 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.18 -0.95 . . . . 0.0 110.208 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.523 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -81.68 -48.61 0.98 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.202 -0.936 . . . . 0.0 110.092 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 52.2 Cg_endo -84.31 -44.35 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.378 1.199 . . . . 0.0 109.703 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 9.2 ttm -53.89 129.42 33.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.519 -0.738 . . . . 0.0 110.412 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 52.31 54.91 9.93 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.205 -0.935 . . . . 0.0 110.383 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -55.86 -34.38 65.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.23 -0.919 . . . . 0.0 110.173 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.432 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 4.3 m -85.62 168.04 21.88 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.297 -0.877 . . . . 0.0 110.186 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' B' ' 21' ' ' ALA . 47.1 Cg_endo -85.77 19.55 1.38 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 O-C-N 123.652 1.343 . . . . 0.0 111.711 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? 64.4 -67.75 0.11 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.198 -0.939 . . . . 0.0 111.498 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.3 -47.02 18.39 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.113 -0.992 . . . . 0.0 110.956 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.656 HD12 ' N ' ' B' ' 22' ' ' LEU . 9.3 mp -80.48 -41.24 24.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.295 -0.878 . . . . 0.0 109.35 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.432 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 7.0 tt0 -51.73 -45.54 63.66 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.686 -0.634 . . . . 0.0 110.281 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -73.88 -47.26 39.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.228 -0.92 . . . . 0.0 110.193 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -58.19 -44.35 88.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.227 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.445 HG23 ' CD1' ' B' ' 52' ' ' LEU . 76.6 mt -63.81 -54.24 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 0.0 110.167 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.39 -25.33 64.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.248 -0.907 . . . . 0.0 110.188 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -80.01 -49.99 11.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.223 -0.923 . . . . 0.0 110.24 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.81 ' HB3' HD23 ' B' ' 52' ' ' LEU . 4.7 mp -63.41 -34.71 78.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.868 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.2 -40.4 85.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.243 -0.911 . . . . 0.0 110.193 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.42 -30.29 54.13 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 tp -64.81 -29.1 70.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -1.154 . . . . 0.0 110.255 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.414 ' HG3' ' HB ' ' B' ' 48' ' ' ILE . 0.0 OUTLIER -62.09 -60.36 3.72 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.285 -0.884 . . . . 0.0 110.281 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 6.5 mtp -58.2 -31.26 67.15 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.297 -0.877 . . . . 0.0 110.418 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -75.96 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.24 -0.913 . . . . 0.0 110.433 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.816 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 17.2 m170 -56.33 -48.75 76.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.143 -0.973 . . . . 0.0 110.378 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.22 -39.88 31.56 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.149 -0.969 . . . . 0.0 109.913 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -63.86 -33.57 75.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 109.402 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -91.68 17.65 8.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.421 -0.799 . . . . 0.0 109.735 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mp 55.96 24.16 7.38 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.448 -0.782 . . . . 0.0 110.925 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.63 -44.48 74.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.116 -0.99 . . . . 0.0 108.88 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.663 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 4.3 m-85 48.86 -177.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.771 -0.58 . . . . 0.0 111.263 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.499 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 36.4 tt0 65.97 -63.47 0.23 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 121.766 0.793 . . . . 0.0 109.044 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 42' ' ' PHE . 14.7 pt-20 -82.64 -30.53 29.3 Favored 'General case' 0 C--N 1.29 -2.019 0 CA-C-O 121.361 0.6 . . . . 0.0 109.727 178.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.816 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.99 -46.53 14.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.336 -0.852 . . . . 0.0 111.113 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.648 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -75.03 -19.54 59.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.95 -178.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 28.3 mt-30 -72.05 -38.39 69.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.902 -1.124 . . . . 0.0 110.052 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.414 ' HB ' ' HG3' ' B' ' 33' ' ' MET . 35.3 mm -50.13 -28.44 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.135 -0.978 . . . . 0.0 109.849 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -54.49 -24.61 21.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.424 -0.798 . . . . 0.0 109.298 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.33 -33.31 49.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.78 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.478 ' O ' HD12 ' B' ' 55' ' ' LEU . 26.7 mt-30 -78.17 -41.0 36.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.344 -0.847 . . . . 0.0 109.985 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.81 HD23 ' HB3' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -62.91 -40.87 98.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.361 -0.837 . . . . 0.0 110.022 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -72.24 -42.36 65.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.306 -0.872 . . . . 0.0 110.177 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' B' ' 57' ' ' GLU . 9.2 mt-30 -66.15 -37.55 85.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.293 -0.879 . . . . 0.0 110.153 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.478 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.1 OUTLIER -64.82 -21.8 66.86 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.223 -0.923 . . . . 0.0 110.169 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -60.31 -64.2 1.03 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.233 -0.917 . . . . 0.0 110.202 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 54' ' ' GLN . 9.8 pt-20 -54.74 -23.74 19.15 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.249 -0.907 . . . . 0.0 110.146 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 0.2 OUTLIER -67.73 -20.1 65.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -0.887 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' B' ' 59' ' ' PHE . 17.2 t80 -52.55 -39.97 62.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.175 -0.953 . . . . 0.0 110.314 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mt -75.1 -44.49 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.256 -0.903 . . . . 0.0 110.138 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.65 -24.35 65.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.208 -0.932 . . . . 0.0 110.176 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.96 -62.83 1.23 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.249 -0.907 . . . . 0.0 110.266 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.228 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.193 0.52 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -155.3 62.59 3.39 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.355 -0.841 . . . . 0.0 110.13 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.8 Cg_endo -72.87 -47.61 0.33 Allowed 'Trans proline' 0 C--N 1.311 -1.427 0 O-C-N 123.726 1.382 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.07 -79.91 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.437 -0.789 . . . . 0.0 110.465 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -153.32 29.94 0.49 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.209 -0.932 . . . . 0.0 110.262 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.1 t -78.86 -50.33 1.48 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.237 -0.914 . . . . 0.0 109.857 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 50.7 Cg_endo -80.77 -56.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.364 1.192 . . . . 0.0 109.736 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttt -176.51 156.54 1.52 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.447 -0.783 . . . . 0.0 110.109 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -176.28 80.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.235 -0.916 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptm -115.87 -21.46 9.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.439 -0.788 . . . . 0.0 110.086 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . 74.4 m -160.93 167.89 12.7 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.312 -0.868 . . . . 0.0 110.102 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HG2' HD13 ' A' ' 22' ' ' LEU . 46.5 Cg_endo -85.47 18.64 1.53 Allowed 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.685 1.361 . . . . 0.0 111.633 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.39 -67.35 0.11 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.285 -0.884 . . . . 0.0 111.515 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.36 -45.73 17.88 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.114 -0.991 . . . . 0.0 110.927 -179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 22' ' ' LEU . 9.7 mp -80.67 -41.62 23.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -0.926 . . . . 0.0 109.382 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.405 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 34.7 tt0 -50.99 -49.06 61.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.652 -0.655 . . . . 0.0 110.471 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 31.9 tp60 -74.28 -30.46 62.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -70.61 -45.38 65.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.22 -0.925 . . . . 0.0 110.242 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.464 HG23 HD13 ' A' ' 52' ' ' LEU . 77.9 mt -69.88 -45.22 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.327 -0.858 . . . . 0.0 110.262 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -67.03 -23.13 65.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.233 -0.917 . . . . 0.0 110.293 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 3.1 mm-40 -80.07 -38.02 32.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 110.308 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HB3' HD23 ' A' ' 52' ' ' LEU . 4.9 mp -77.07 -36.66 55.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 0.0 110.23 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HG2' ' CD2' ' B' ' 40' ' ' LEU . 1.2 tm-20 -54.14 -46.66 72.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.16 -0.963 . . . . 0.0 110.2 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.1 -29.25 72.28 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.83 -40.04 91.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.347 -1.09 . . . . 0.0 110.176 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.51 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 21.0 mtp -51.66 -36.92 48.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.284 -0.885 . . . . 0.0 110.477 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.9 ttm -80.26 -30.89 38.48 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.153 -0.967 . . . . 0.0 110.648 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.77 -81.07 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.2 -0.938 . . . . 0.0 110.874 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -33.38 66.16 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.07 -1.019 . . . . 0.0 110.304 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 33' ' ' MET . . . -50.84 -39.82 54.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.116 -0.99 . . . . 0.0 110.112 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -58.89 -40.59 84.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.358 -0.839 . . . . 0.0 110.113 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -90.64 17.46 7.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.266 -0.896 . . . . 0.0 110.222 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' CD2' ' HG2' ' B' ' 30' ' ' GLU . 1.6 mp 55.0 21.59 3.85 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.28 -0.888 . . . . 0.0 110.532 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -108.76 21.36 17.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.304 -0.873 . . . . 0.0 109.706 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.859 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -78.29 23.08 0.3 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.233 -0.917 . . . . 0.0 113.415 -178.674 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' HB2' ' CD ' ' B' ' 49' ' ' ARG . 50.5 tt0 -52.93 -57.07 11.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.625 -1.297 . . . . 0.0 107.868 178.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 8.4 pt-20 -81.55 -24.7 36.4 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.859 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -69.23 -50.95 42.52 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.225 -0.922 . . . . 0.0 110.735 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.486 ' HA ' ' CZ ' ' B' ' 42' ' ' PHE . . . -55.99 -27.23 51.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.113 -0.992 . . . . 0.0 110.354 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -56.8 -30.49 63.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.06 -1.025 . . . . 0.0 109.44 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.35 -27.37 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.261 -0.9 . . . . 0.0 109.451 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.433 ' CD ' ' HB2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -53.49 -27.06 23.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.492 -0.755 . . . . 0.0 109.295 179.249 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -76.3 -33.98 59.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 0.0 109.819 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -78.95 -30.84 44.78 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.311 -0.868 . . . . 0.0 109.894 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD13 HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -63.86 -41.2 97.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.424 -0.797 . . . . 0.0 110.212 179.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 11.9 t-80 -80.19 -26.16 39.35 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.339 -0.85 . . . . 0.0 110.335 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -80.84 -34.78 33.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.034 -1.041 . . . . 0.0 110.479 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -26.52 67.94 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.258 -0.901 . . . . 0.0 111.157 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -60.98 -24.51 66.17 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.984 -1.073 . . . . 0.0 110.36 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.85 -38.63 61.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.202 -0.936 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -19.81 20.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.325 -0.859 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -48.25 -42.34 30.17 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.256 -0.903 . . . . 0.0 110.551 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.7 mt -75.11 -33.74 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.0 110.249 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.21 -19.06 58.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.226 -0.921 . . . . 0.0 110.312 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.39 -55.99 2.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 110.25 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.218 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.266 0.555 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -155.24 62.63 3.43 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.216 -0.927 . . . . 0.0 110.19 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.5 Cg_endo -72.86 -47.62 0.33 Allowed 'Trans proline' 0 C--N 1.311 -1.437 0 O-C-N 123.742 1.391 . . . . 0.0 110.43 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.16 -79.88 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.423 -0.798 . . . . 0.0 110.472 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 10' ' ' PRO . 0.2 OUTLIER -153.37 29.95 0.48 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.228 -0.92 . . . . 0.0 110.245 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.514 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.1 t -78.89 -50.22 1.48 Allowed Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.169 -0.957 . . . . 0.0 109.898 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.514 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 50.1 Cg_endo -80.92 -56.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.377 0 O-C-N 123.434 1.229 . . . . 0.0 109.706 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttt -176.52 156.57 1.52 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.384 -0.823 . . . . 0.0 110.087 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -176.41 80.35 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.928 . . . . 0.0 110.01 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptm -115.77 -21.56 9.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.537 -0.727 . . . . 0.0 110.138 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.404 ' HB3' ' HB2' ' B' ' 23' ' ' GLN . 74.2 m -161.0 167.86 12.73 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.189 -0.944 . . . . 0.0 110.072 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.468 ' HG2' HD13 ' B' ' 22' ' ' LEU . 46.7 Cg_endo -85.35 18.52 1.56 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 O-C-N 123.677 1.356 . . . . 0.0 111.608 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.55 -67.43 0.11 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.262 -0.899 . . . . 0.0 111.479 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.28 -45.76 17.48 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.156 -0.965 . . . . 0.0 110.992 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.655 HD12 ' N ' ' B' ' 22' ' ' LEU . 9.6 mp -80.7 -41.5 23.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 0.0 109.396 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.404 ' HB2' ' HB3' ' B' ' 18' ' ' SER . 34.7 tt0 -51.08 -49.03 61.45 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.732 -0.605 . . . . 0.0 110.423 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.42 ' O ' ' CG ' ' B' ' 28' ' ' GLU . 31.9 tp60 -74.36 -30.44 62.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.277 -0.89 . . . . 0.0 110.255 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -70.63 -45.34 65.37 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.174 -0.953 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.456 HG23 HD13 ' B' ' 52' ' ' LEU . 77.5 mt -69.76 -45.28 77.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 0.0 110.327 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -66.96 -23.15 65.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.169 -0.957 . . . . 0.0 110.335 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' B' ' 24' ' ' GLN . 3.2 mm-40 -80.09 -37.91 32.76 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.202 -0.936 . . . . 0.0 110.308 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.403 ' HB3' HD23 ' B' ' 52' ' ' LEU . 4.8 mp -77.1 -36.81 55.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.11 -0.994 . . . . 0.0 110.13 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.42 ' HG2' ' CD2' ' A' ' 40' ' ' LEU . 1.2 tm-20 -54.02 -46.78 71.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.258 -0.901 . . . . 0.0 110.174 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.95 -29.33 72.48 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.403 ' HB3' HD13 ' B' ' 48' ' ' ILE . 0.9 OUTLIER -60.86 -39.96 91.12 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.37 -1.076 . . . . 0.0 110.138 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.513 ' O ' ' HB2' ' B' ' 37' ' ' ALA . 20.9 mtp -51.67 -36.97 48.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.33 -0.856 . . . . 0.0 110.418 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.9 ttm -80.24 -30.8 38.56 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.194 -0.941 . . . . 0.0 110.707 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -81.16 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.289 -0.882 . . . . 0.0 110.807 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -33.53 65.89 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.996 -1.065 . . . . 0.0 110.321 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' B' ' 33' ' ' MET . . . -50.72 -39.88 52.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.205 -0.935 . . . . 0.0 110.097 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -58.95 -40.48 84.85 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.39 -0.818 . . . . 0.0 110.065 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -90.75 17.44 7.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.291 -0.881 . . . . 0.0 110.196 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.433 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 1.6 mp 55.12 21.61 4.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.172 -0.955 . . . . 0.0 110.459 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -108.74 21.36 17.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.252 -0.905 . . . . 0.0 109.652 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.826 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 0.0 OUTLIER -78.35 23.21 0.3 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.254 -0.903 . . . . 0.0 113.369 -178.67 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.433 ' HB2' ' CD ' ' A' ' 49' ' ' ARG . 51.1 tt0 -52.89 -57.14 11.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.58 -1.325 . . . . 0.0 107.87 177.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 8.4 pt-20 -81.57 -24.68 36.36 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.826 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -69.27 -50.85 43.15 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.178 -0.951 . . . . 0.0 110.801 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . . . -56.08 -27.15 52.43 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.134 -0.979 . . . . 0.0 110.349 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -56.84 -30.45 63.79 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.026 -1.046 . . . . 0.0 109.437 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.403 HD13 ' HB3' ' B' ' 32' ' ' LEU . 96.6 mt -53.43 -27.22 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.324 -0.86 . . . . 0.0 109.491 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.424 ' CD ' ' HB2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -53.63 -26.91 24.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.515 -0.741 . . . . 0.0 109.334 179.261 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -76.38 -33.98 58.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.357 -0.839 . . . . 0.0 109.845 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -78.91 -30.9 45.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.291 -0.881 . . . . 0.0 109.912 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.456 HD13 HG23 ' B' ' 26' ' ' ILE . 0.2 OUTLIER -63.84 -41.27 97.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.339 -0.851 . . . . 0.0 110.117 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' B' ' 56' ' ' ARG . 12.0 t-80 -80.09 -26.24 39.66 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 110.424 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -80.69 -34.88 34.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 110.51 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -26.46 67.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.23 -0.919 . . . . 0.0 111.102 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' B' ' 53' ' ' HIS . 0.1 OUTLIER -61.05 -24.5 66.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.067 -1.021 . . . . 0.0 110.367 -179.634 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.76 -38.65 62.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 110.086 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -19.79 20.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.262 -0.899 . . . . 0.0 110.379 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -48.27 -42.32 30.34 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.225 -0.922 . . . . 0.0 110.624 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 53.2 mt -75.19 -33.73 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.168 -0.957 . . . . 0.0 110.165 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.2 -19.01 58.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.244 -0.91 . . . . 0.0 110.317 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.38 -55.95 2.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.221 -0.925 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.172 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 8' ' ' LEU . 5.0 mp . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.238 0.542 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 15' ' ' MET . 2.7 tt0 -122.77 60.81 15.25 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.242 -0.911 . . . . 0.0 110.15 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.5 Cg_endo -72.82 -42.11 1.23 Allowed 'Trans proline' 0 C--N 1.311 -1.424 0 O-C-N 123.715 1.376 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.13 -77.52 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.401 -0.812 . . . . 0.0 109.689 -179.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.774 ' O ' HG23 ' A' ' 13' ' ' VAL . 63.0 m-20 -124.19 -30.04 3.5 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.144 -0.973 . . . . 0.0 109.527 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -178.63 -51.23 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.52 -0.738 . . . . 0.0 109.696 -179.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 13' ' ' VAL . 48.7 Cg_endo -90.49 -81.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.378 1.199 . . . . 0.0 110.613 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -157.48 -144.98 0.14 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.156 -0.965 . . . . 0.0 109.984 -179.797 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -152.92 71.7 0.93 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.002 -1.062 . . . . 0.0 109.921 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.6 ptm -117.96 -19.85 8.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.587 -0.696 . . . . 0.0 110.395 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -106.62 164.22 15.35 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.117 -0.989 . . . . 0.0 110.394 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.467 ' HG2' ' HB3' ' A' ' 22' ' ' LEU . 50.5 Cg_endo -73.69 -1.2 10.41 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 O-C-N 123.798 1.42 . . . . 0.0 111.686 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.65 -66.68 0.15 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.184 -0.947 . . . . 0.0 111.114 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -51.13 -62.86 1.36 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.988 -1.07 . . . . 0.0 110.364 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.907 HD11 HD11 ' A' ' 26' ' ' ILE . 2.7 tp -62.3 -56.97 13.26 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.365 -0.834 . . . . 0.0 109.51 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.556 ' HA ' HD12 ' A' ' 26' ' ' ILE . 4.9 tt0 -48.23 -42.53 30.53 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.312 -0.867 . . . . 0.0 110.451 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -64.06 -36.58 84.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.244 -0.91 . . . . 0.0 109.854 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -48.67 59.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.316 -0.865 . . . . 0.0 109.992 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.907 HD11 HD11 ' A' ' 22' ' ' LEU . 41.8 mt -52.86 -56.53 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.908 . . . . 0.0 110.079 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -55.16 -22.42 17.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 110.118 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -37.42 34.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.101 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.431 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . 26.7 mt -77.16 -41.53 41.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 110.043 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.518 ' OE2' HD21 ' B' ' 40' ' ' LEU . 1.2 tm-20 -62.77 -44.88 95.03 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.284 -0.885 . . . . 0.0 109.913 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.82 -34.7 90.65 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tp -65.64 -34.1 77.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.224 -1.162 . . . . 0.0 109.934 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.673 ' HE1' HD23 ' B' ' 40' ' ' LEU . 1.6 mtp -59.67 -61.16 2.82 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.306 -0.871 . . . . 0.0 110.165 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 mtt -47.49 -42.03 22.08 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.389 -0.819 . . . . 0.0 110.779 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.76 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.167 -0.958 . . . . 0.0 110.224 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.475 ' CB ' ' CB ' ' A' ' 45' ' ' ALA . 72.1 m80 -51.36 -51.96 49.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.341 -0.849 . . . . 0.0 110.609 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.005 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -48.35 -32.5 7.57 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.278 -0.889 . . . . 0.0 110.122 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -75.16 -36.24 61.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.666 ' C ' HD12 ' A' ' 40' ' ' LEU . 4.3 m120 -94.78 23.96 5.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.457 -0.777 . . . . 0.0 109.727 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.666 HD12 ' C ' ' A' ' 39' ' ' ASN . 5.0 mp 55.73 30.56 15.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.425 -0.797 . . . . 0.0 110.654 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -109.25 17.65 21.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.177 -0.952 . . . . 0.0 110.04 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.008 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 5.0 p90 -61.82 -7.58 3.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.396 -0.815 . . . . 0.0 112.044 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -50.33 -67.77 0.23 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.501 -1.374 . . . . 0.0 109.204 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 2.2 pt-20 -81.54 -19.57 41.81 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.578 -0.701 . . . . 0.0 109.725 178.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 1.008 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -76.84 -50.22 13.92 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.404 -0.81 . . . . 0.0 111.224 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.647 ' HB1' ' CE1' ' B' ' 42' ' ' PHE . . . -50.24 -25.79 4.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.103 -0.998 . . . . 0.0 110.401 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -50.96 -25.66 4.95 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.005 -1.06 . . . . 0.0 109.756 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.709 HG22 HD23 ' A' ' 52' ' ' LEU . 43.0 mt -65.0 -29.08 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.441 -0.787 . . . . 0.0 109.749 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -48.66 -28.01 3.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.307 -0.871 . . . . 0.0 110.267 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.14 -45.17 23.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.397 -0.814 . . . . 0.0 109.712 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.872 ' O ' HD12 ' A' ' 55' ' ' LEU . 15.9 mt-30 -68.22 -37.11 80.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.3 -0.875 . . . . 0.0 109.851 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.709 HD23 HG22 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -62.4 -41.95 99.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.342 -0.849 . . . . 0.0 110.114 179.798 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.402 ' O ' ' HB3' ' A' ' 56' ' ' ARG . 66.7 m170 -69.91 -48.27 59.25 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.316 -0.865 . . . . 0.0 110.193 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.66 -44.73 96.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.201 -0.937 . . . . 0.0 110.217 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.872 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -62.84 -28.48 70.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -0.888 . . . . 0.0 110.195 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 53' ' ' HIS . 18.8 ttt-85 -56.58 -60.45 3.52 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.283 -0.886 . . . . 0.0 110.16 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.7 pt-20 -59.57 -22.87 62.36 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.897 . . . . 0.0 110.106 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 2.8 mt -72.4 -19.95 61.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 0.0 110.307 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.33 -45.62 65.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.0 mt -73.39 -36.23 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.2 -0.938 . . . . 0.0 110.177 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.41 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -72.97 -20.29 61.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.5 -62.29 1.52 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.259 -0.901 . . . . 0.0 110.197 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.222 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.415 HD12 ' N ' ' B' ' 8' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.243 0.544 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' B' ' 15' ' ' MET . 2.7 tt0 -122.87 60.87 15.72 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 0.0 110.146 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' B' ' 12' ' ' ASN . 45.1 Cg_endo -72.86 -42.22 1.17 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 O-C-N 123.721 1.38 . . . . 0.0 110.801 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.19 -77.62 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.295 -0.878 . . . . 0.0 109.706 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.769 ' O ' HG23 ' B' ' 13' ' ' VAL . 63.1 m-20 -124.11 -29.96 3.53 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.073 -1.017 . . . . 0.0 109.602 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.769 HG23 ' O ' ' B' ' 12' ' ' ASN . 0.9 OUTLIER -178.63 -51.27 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.57 -0.706 . . . . 0.0 109.744 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' B' ' 13' ' ' VAL . 48.8 Cg_endo -90.41 -81.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.316 -1.168 0 O-C-N 123.42 1.221 . . . . 0.0 110.725 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' B' ' 9' ' ' GLU . 0.0 OUTLIER -157.41 -144.87 0.13 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.183 -0.948 . . . . 0.0 110.03 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -152.96 71.7 0.93 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.025 -1.047 . . . . 0.0 109.899 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 9.6 ptm -117.95 -19.85 9.0 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.655 -0.653 . . . . 0.0 110.393 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -106.65 164.21 15.37 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.138 -0.976 . . . . 0.0 110.366 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.444 ' HG2' ' HB3' ' B' ' 22' ' ' LEU . 50.1 Cg_endo -73.8 -1.06 10.26 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.786 1.414 . . . . 0.0 111.649 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' B' ' 24' ' ' GLN . 0.0 OUTLIER 65.67 -66.8 0.15 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.17 -0.956 . . . . 0.0 111.019 179.716 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -51.1 -62.8 1.39 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.067 -1.021 . . . . 0.0 110.334 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.916 HD11 HD11 ' B' ' 26' ' ' ILE . 2.6 tp -62.35 -57.01 12.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.32 -0.862 . . . . 0.0 109.516 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.551 ' HA ' HD12 ' B' ' 26' ' ' ILE . 4.9 tt0 -48.16 -42.51 29.77 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.346 -0.846 . . . . 0.0 110.537 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 20' ' ' LYS . 1.4 tm0? -64.03 -36.75 85.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.207 -0.933 . . . . 0.0 109.8 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -48.72 59.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.34 -0.85 . . . . 0.0 109.938 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.916 HD11 HD11 ' B' ' 22' ' ' LEU . 41.6 mt -52.8 -56.48 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 110.089 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -55.26 -22.32 17.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 110.118 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.88 -37.37 34.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.215 -0.928 . . . . 0.0 110.162 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.424 ' HB3' ' CD2' ' B' ' 52' ' ' LEU . 26.8 mt -77.24 -41.58 40.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.212 -0.93 . . . . 0.0 110.027 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.447 ' OE2' HD21 ' A' ' 40' ' ' LEU . 1.2 tm-20 -62.7 -44.81 95.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -0.885 . . . . 0.0 109.968 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.96 -34.67 90.55 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 tp -65.62 -34.04 77.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.313 -1.11 . . . . 0.0 109.949 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.565 ' HE1' HD23 ' A' ' 40' ' ' LEU . 1.6 mtp -59.74 -61.17 2.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.348 -0.845 . . . . 0.0 110.123 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mtt -47.44 -42.02 21.59 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.372 -0.83 . . . . 0.0 110.878 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.72 -74.9 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.281 -0.887 . . . . 0.0 110.178 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.471 ' CB ' ' CB ' ' B' ' 45' ' ' ALA . 71.8 m80 -51.3 -52.07 48.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.386 -0.821 . . . . 0.0 110.565 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 1.005 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -48.28 -32.49 7.37 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.226 -0.921 . . . . 0.0 110.097 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -75.25 -36.19 61.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -0.856 . . . . 0.0 109.492 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . 0.671 ' C ' HD12 ' B' ' 40' ' ' LEU . 4.2 m120 -94.73 23.84 5.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.501 -0.749 . . . . 0.0 109.73 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.673 HD23 ' HE1' ' A' ' 33' ' ' MET . 5.0 mp 55.74 30.66 16.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.521 -0.737 . . . . 0.0 110.673 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -109.35 17.53 21.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.159 -0.963 . . . . 0.0 110.009 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 1.005 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 5.0 p90 -61.66 -7.81 3.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.443 -0.786 . . . . 0.0 112.026 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -50.21 -67.73 0.23 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.448 -1.407 . . . . 0.0 109.188 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 2.2 pt-20 -81.64 -19.46 41.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.444 -0.785 . . . . 0.0 109.684 178.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 1.005 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -76.91 -50.46 13.24 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.33 -0.856 . . . . 0.0 111.269 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.668 ' HB1' ' CE1' ' A' ' 42' ' ' PHE . . . -49.91 -26.05 3.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.114 -0.991 . . . . 0.0 110.359 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -50.75 -25.7 4.7 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.079 -1.013 . . . . 0.0 109.782 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.707 HG22 HD23 ' B' ' 52' ' ' LEU . 43.0 mt -65.13 -28.97 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.471 -0.768 . . . . 0.0 109.667 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.8 OUTLIER -48.6 -28.13 3.25 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.286 -0.884 . . . . 0.0 110.257 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.21 -45.2 23.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.373 -0.83 . . . . 0.0 109.625 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.871 ' O ' HD12 ' B' ' 55' ' ' LEU . 16.0 mt-30 -68.18 -37.04 80.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.0 109.852 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.707 HD23 HG22 ' B' ' 48' ' ' ILE . 0.5 OUTLIER -62.47 -41.92 99.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.302 -0.874 . . . . 0.0 110.108 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -69.87 -48.29 59.33 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 0.0 110.196 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.7 -44.77 96.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.198 -0.939 . . . . 0.0 110.128 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.871 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.5 OUTLIER -62.78 -28.55 70.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.255 -0.903 . . . . 0.0 110.176 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -56.56 -60.42 3.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -0.911 . . . . 0.0 110.113 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.7 pt-20 -59.55 -22.98 62.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.237 -0.914 . . . . 0.0 110.068 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 2.9 mt -72.31 -19.96 61.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.26 -0.9 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -52.34 -45.63 65.74 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.275 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 54.8 mt -73.44 -36.27 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 110.154 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.8 -20.37 61.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.226 -0.921 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.48 -62.24 1.53 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.159 -0.963 . . . . 0.0 110.226 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.209 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.265 0.555 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -126.46 62.05 46.13 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 0.0 110.19 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.3 Cg_endo -72.98 -52.0 0.16 Allowed 'Trans proline' 0 C--N 1.31 -1.462 0 O-C-N 123.663 1.349 . . . . 0.0 110.442 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.47 -79.72 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.37 -0.831 . . . . 0.0 110.366 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' PRO . 2.2 p-10 -138.82 29.92 2.3 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.183 -0.948 . . . . 0.0 110.115 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.536 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.4 t -88.56 -46.6 0.45 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 110.457 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.536 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 48.9 Cg_endo -86.06 -46.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.353 0 O-C-N 123.305 1.16 . . . . 0.0 109.86 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.39 -165.57 1.46 Allowed 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.38 -0.825 . . . . 0.0 110.267 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.17 67.68 0.95 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.259 -0.901 . . . . 0.0 109.964 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.2 ptm -176.15 -36.99 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.493 -0.754 . . . . 0.0 110.22 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 3.8 m 55.27 173.06 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.205 -0.934 . . . . 0.0 110.214 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HG2' ' HB2' ' A' ' 22' ' ' LEU . 45.5 Cg_endo -85.37 16.79 1.89 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 O-C-N 123.695 1.366 . . . . 0.0 111.649 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.14 -67.45 0.11 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.321 -0.862 . . . . 0.0 111.608 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.02 -46.34 16.5 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.175 -0.953 . . . . 0.0 110.972 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.669 ' N ' HD12 ' A' ' 22' ' ' LEU . 8.7 mp -80.62 -44.87 18.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.881 . . . . 0.0 109.486 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.437 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 18.2 tt0 -52.08 -38.08 56.04 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.684 -0.635 . . . . 0.0 110.367 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -77.67 -41.65 37.37 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.203 -0.935 . . . . 0.0 110.39 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -72.5 -40.23 67.04 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.249 -0.907 . . . . 0.0 110.282 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.467 HD11 ' HB3' ' A' ' 22' ' ' LEU . 85.7 mt -66.56 -42.91 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.887 . . . . 0.0 110.31 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -76.88 -20.04 56.73 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 110.39 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 24' ' ' GLN . 16.2 mm-40 -79.07 -53.49 6.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.185 -0.947 . . . . 0.0 110.328 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.543 HD22 HD12 ' A' ' 48' ' ' ILE . 25.2 mt -64.02 -27.64 69.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.222 -0.924 . . . . 0.0 110.282 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.44 -35.36 80.66 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.241 -0.912 . . . . 0.0 110.287 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.79 -23.3 69.98 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.64 -28.75 67.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.138 -1.213 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.539 ' CE ' HD23 ' B' ' 40' ' ' LEU . 5.0 mtp -61.44 -64.59 0.9 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.197 -0.94 . . . . 0.0 110.275 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 41.7 tpp -60.53 -31.4 70.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.271 -0.893 . . . . 0.0 110.297 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -54.74 -76.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.229 -0.92 . . . . 0.0 110.274 -179.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.821 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 19.9 m170 -59.53 -44.19 93.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.145 -0.972 . . . . 0.0 110.249 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.17 -39.11 27.92 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.103 -0.998 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' GLN . 0.1 OUTLIER -59.75 -35.51 74.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.336 -0.853 . . . . 0.0 109.402 179.492 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.39 17.9 7.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.387 -0.82 . . . . 0.0 109.703 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.711 HD23 ' CE ' ' B' ' 33' ' ' MET . 7.2 mp 55.03 23.93 5.58 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.402 -0.811 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 36' ' ' HIS . 7.1 mm-40 -66.83 -44.22 81.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.126 -0.984 . . . . 0.0 108.986 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.593 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 6.3 m-85 48.2 -175.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.634 -0.667 . . . . 0.0 111.198 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.504 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 31.4 tt0 65.94 -63.27 0.23 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.717 0.77 . . . . 0.0 109.027 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.47 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 15.8 pt-20 -82.67 -33.28 27.77 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-O 121.301 0.572 . . . . 0.0 109.921 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.821 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -81.12 -43.25 19.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.31 -0.868 . . . . 0.0 111.476 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.616 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -78.0 -26.17 48.41 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.09 -1.006 . . . . 0.0 111.367 -178.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 7.4 mm100 -65.1 -32.81 74.7 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.907 -1.121 . . . . 0.0 109.855 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.543 HD12 HD22 ' A' ' 29' ' ' LEU . 38.6 mm -51.97 -28.38 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.218 -0.926 . . . . 0.0 109.772 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -54.7 -27.58 41.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.375 -0.828 . . . . 0.0 109.365 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -77.87 -34.09 51.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 0.0 109.931 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.482 ' O ' HD12 ' A' ' 55' ' ' LEU . 27.0 mt-30 -80.06 -40.03 28.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 110.068 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -63.78 -44.05 94.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.249 -0.907 . . . . 0.0 110.145 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -66.69 -40.03 88.33 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.351 -0.843 . . . . 0.0 110.145 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.66 -42.08 82.75 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.12 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.5 OUTLIER -68.31 -22.08 64.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.212 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -56.43 -51.21 69.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.29 -0.881 . . . . 0.0 110.214 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' O ' HD12 ' A' ' 60' ' ' ILE . 2.0 tp10 -61.18 -35.3 76.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.24 -0.913 . . . . 0.0 110.244 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -56.39 -24.06 42.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.206 -0.934 . . . . 0.0 110.219 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 21.6 t80 -54.05 -31.68 52.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 0.0 110.151 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' ' 57' ' ' GLU . 4.2 mt -79.95 -28.97 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.514 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -68.65 -21.64 64.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.202 -0.936 . . . . 0.0 110.22 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.67 -64.13 1.12 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 110.246 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.286 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.298 0.57 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -126.59 62.11 47.41 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.294 -0.879 . . . . 0.0 110.141 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.5 Cg_endo -73.06 -51.88 0.16 Allowed 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.655 1.345 . . . . 0.0 110.501 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.36 -79.69 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.475 -0.766 . . . . 0.0 110.459 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 10' ' ' PRO . 2.2 p-10 -138.82 29.95 2.3 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.195 -0.941 . . . . 0.0 110.162 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.531 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.4 t -88.57 -46.62 0.44 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 110.472 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.531 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 50.5 Cg_endo -85.93 -46.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.213 1.112 . . . . 0.0 109.89 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.27 -165.58 1.46 Allowed 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.302 -0.874 . . . . 0.0 110.278 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.26 67.58 0.96 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.301 -0.874 . . . . 0.0 110.035 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 19.2 ptm -176.14 -37.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.375 -0.828 . . . . 0.0 110.17 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.439 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 3.8 m 55.27 173.14 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.271 -0.893 . . . . 0.0 110.208 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.457 ' HG2' ' HB2' ' B' ' 22' ' ' LEU . 45.5 Cg_endo -85.45 16.79 1.89 Allowed 'Trans proline' 0 C--N 1.312 -1.349 0 O-C-N 123.686 1.361 . . . . 0.0 111.677 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 -67.56 0.1 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.251 -0.906 . . . . 0.0 111.632 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -45.97 -46.45 16.32 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.168 -0.957 . . . . 0.0 110.914 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.669 HD12 ' N ' ' B' ' 22' ' ' LEU . 8.7 mp -80.44 -44.99 18.36 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.23 -0.919 . . . . 0.0 109.526 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.439 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 18.0 tt0 -52.05 -38.05 55.73 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.648 -0.658 . . . . 0.0 110.381 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' B' ' 28' ' ' GLU . 0.0 OUTLIER -77.75 -41.68 36.76 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.183 -0.948 . . . . 0.0 110.297 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -72.47 -40.26 67.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.164 -0.96 . . . . 0.0 110.305 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.465 HD11 ' HB3' ' B' ' 22' ' ' LEU . 86.0 mt -66.53 -42.96 90.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.208 -0.933 . . . . 0.0 110.314 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -76.79 -20.05 56.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 110.427 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' B' ' 24' ' ' GLN . 16.0 mm-40 -79.23 -53.38 7.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.912 . . . . 0.0 110.31 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.543 HD22 HD12 ' B' ' 48' ' ' ILE . 25.1 mt -64.03 -27.61 69.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.353 -0.842 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.36 -35.35 80.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.154 -0.966 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.9 -23.17 70.01 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.75 -28.81 67.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.198 -1.178 . . . . 0.0 110.3 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.711 ' CE ' HD23 ' A' ' 40' ' ' LEU . 5.0 mtp -61.3 -64.72 0.86 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.258 -0.901 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 41.6 tpp -60.41 -31.39 70.34 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 110.313 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -76.9 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.181 -0.949 . . . . 0.0 110.304 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.821 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 20.1 m170 -59.59 -44.11 93.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.148 -0.97 . . . . 0.0 110.31 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.23 -39.12 28.79 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.177 -0.952 . . . . 0.0 110.014 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -35.44 74.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.178 -0.952 . . . . 0.0 109.395 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.41 17.99 7.78 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.482 -0.761 . . . . 0.0 109.713 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.674 HD12 ' N ' ' B' ' 40' ' ' LEU . 7.2 mp 54.94 23.92 5.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.388 -0.82 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -66.75 -44.18 82.17 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.235 -0.916 . . . . 0.0 109.084 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.616 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 6.4 m-85 48.21 -175.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.745 -0.597 . . . . 0.0 111.241 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 31.5 tt0 65.88 -63.23 0.23 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.769 0.795 . . . . 0.0 109.083 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' B' ' 42' ' ' PHE . 15.8 pt-20 -82.86 -33.16 27.13 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 121.755 -0.591 . . . . 0.0 109.916 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.821 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -81.11 -43.12 19.9 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.282 -0.887 . . . . 0.0 111.458 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.593 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -78.06 -26.4 48.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.121 -0.987 . . . . 0.0 111.364 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 7.4 mm100 -64.99 -32.73 74.6 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.871 -1.143 . . . . 0.0 109.894 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.543 HD12 HD22 ' B' ' 29' ' ' LEU . 38.5 mm -52.11 -28.35 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.224 -0.923 . . . . 0.0 109.712 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.408 ' HB3' ' O ' ' B' ' 46' ' ' ALA . 0.0 OUTLIER -54.63 -27.66 41.23 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.495 -0.753 . . . . 0.0 109.358 179.262 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -77.83 -34.06 52.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.287 -0.883 . . . . 0.0 109.944 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.5 ' O ' HD12 ' B' ' 55' ' ' LEU . 27.0 mt-30 -80.05 -40.05 28.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 110.051 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' B' ' 52' ' ' LEU . 0.1 OUTLIER -63.84 -44.1 94.22 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.236 -0.915 . . . . 0.0 110.092 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -66.72 -39.95 88.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.278 -0.889 . . . . 0.0 110.112 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.76 -41.96 82.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 110.15 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.5 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.5 OUTLIER -68.41 -22.07 64.64 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.933 . . . . 0.0 110.109 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -56.47 -51.13 69.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.301 -0.874 . . . . 0.0 110.212 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.47 ' O ' HD12 ' B' ' 60' ' ' ILE . 2.0 tp10 -61.23 -35.32 76.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.925 . . . . 0.0 110.198 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' B' ' 61' ' ' ALA . 0.5 OUTLIER -56.39 -24.04 42.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.15 -0.968 . . . . 0.0 110.205 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -54.04 -31.69 52.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.252 -0.905 . . . . 0.0 110.172 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.47 HD12 ' O ' ' B' ' 57' ' ' GLU . 4.2 mt -80.06 -28.93 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.3 -0.875 . . . . 0.0 110.168 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.507 ' HB3' HD23 ' B' ' 58' ' ' LEU . . . -68.62 -21.6 64.48 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -0.878 . . . . 0.0 110.282 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.404 ' HB3' ' HG3' ' B' ' 19' ' ' PRO . . . -103.67 -64.2 1.12 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.209 -0.932 . . . . 0.0 110.194 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.16 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.242 0.544 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -157.36 74.1 4.31 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.265 -0.897 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.8 Cg_endo -72.81 -49.99 0.23 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 O-C-N 123.692 1.364 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.7 -80.34 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.511 -0.743 . . . . 0.0 110.479 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' PRO . 5.7 p-10 -137.34 20.96 2.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -0.915 . . . . 0.0 110.264 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.515 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -78.93 -48.58 1.62 Allowed Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 121.17 -0.956 . . . . 0.0 109.966 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.515 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 52.4 Cg_endo -84.47 -44.25 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.458 0 O-C-N 123.311 1.164 . . . . 0.0 109.662 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttp -64.16 127.63 32.28 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.546 -0.721 . . . . 0.0 110.525 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 52.45 42.27 31.14 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.267 -0.895 . . . . 0.0 110.458 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.1 ptm -56.83 -23.07 41.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.141 -0.974 . . . . 0.0 110.049 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 70.1 m -152.27 170.23 8.33 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.336 -0.853 . . . . 0.0 110.017 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 21' ' ' ALA . 50.3 Cg_endo -86.34 21.93 1.01 Allowed 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.661 1.348 . . . . 0.0 111.543 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.11 -66.33 0.17 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.082 -1.011 . . . . 0.0 110.85 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -47.73 -51.38 22.27 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.2 -0.937 . . . . 0.0 110.373 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.901 HD11 HD11 ' A' ' 26' ' ' ILE . 3.6 tp -68.8 -58.03 4.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.377 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.437 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 4.8 tt0 -46.39 -53.32 11.21 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.485 -0.76 . . . . 0.0 110.602 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -34.29 70.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.295 -0.878 . . . . 0.0 110.222 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -69.72 -52.1 28.51 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.239 -0.913 . . . . 0.0 110.136 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.901 HD11 HD11 ' A' ' 22' ' ' LEU . 43.5 mt -53.46 -55.91 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.265 -0.897 . . . . 0.0 110.238 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.87 -24.13 61.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.295 -0.878 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.09 -50.01 15.88 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.296 -0.878 . . . . 0.0 110.251 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HB2' HD21 ' A' ' 52' ' ' LEU . 56.4 mt -69.68 -38.96 77.21 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.236 -0.915 . . . . 0.0 110.209 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.49 -50.36 73.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.246 -0.909 . . . . 0.0 110.234 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.8 -34.35 88.39 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.45 -26.57 60.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.282 -1.128 . . . . 0.0 110.21 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.738 ' CE ' HD21 ' B' ' 40' ' ' LEU . 6.6 tmm? -79.83 -27.2 40.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.26 -0.9 . . . . 0.0 110.308 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 mmt -78.3 -48.8 14.9 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.085 -1.009 . . . . 0.0 110.462 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.427 ' HG3' ' ND1' ' A' ' 36' ' ' HIS . 4.3 pt20 -51.66 -33.2 32.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.196 -0.94 . . . . 0.0 110.468 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.799 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 4.9 m-70 -76.65 -63.66 1.29 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.263 -0.898 . . . . 0.0 110.14 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -47.82 -36.41 11.8 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.265 -0.897 . . . . 0.0 109.982 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -70.71 -34.14 71.61 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.415 -0.803 . . . . 0.0 109.461 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -92.77 20.33 6.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.452 -0.78 . . . . 0.0 109.67 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.622 HD21 ' CE ' ' B' ' 33' ' ' MET . 0.2 OUTLIER 58.32 24.38 11.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.414 -0.804 . . . . 0.0 110.895 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 2.1 mm-40 -70.0 -49.25 53.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.168 -0.958 . . . . 0.0 108.999 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.711 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 4.3 m-85 48.97 -177.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.562 -0.712 . . . . 0.0 111.109 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 28.0 tt0 66.04 -62.66 0.25 Allowed 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.724 0.773 . . . . 0.0 109.156 -178.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.47 ' OE2' ' CD2' ' A' ' 36' ' ' HIS . 24.9 pt-20 -82.43 -29.54 30.66 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 121.729 -0.607 . . . . 0.0 109.744 178.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 36' ' ' HIS . . . -80.51 -47.52 14.14 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -0.851 . . . . 0.0 111.15 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.719 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -68.93 -19.85 64.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.156 -0.965 . . . . 0.0 110.784 -178.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 43' ' ' GLU . 1.4 mp0 -79.1 -50.94 10.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.981 -1.074 . . . . 0.0 109.68 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.6 mt -51.19 -30.97 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.167 -0.958 . . . . 0.0 109.31 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HG3' HD23 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -55.81 -23.87 32.73 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.41 ' HB2' ' NH2' ' A' ' 49' ' ' ARG . 9.2 t0 -79.51 -35.39 40.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.312 -0.868 . . . . 0.0 109.815 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.587 ' O ' HD12 ' A' ' 55' ' ' LEU . 17.9 mt-30 -69.25 -41.02 77.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.324 -0.86 . . . . 0.0 109.959 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.821 ' CD1' HG23 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -54.8 -37.69 66.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.271 -0.893 . . . . 0.0 109.995 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.08 -55.06 20.97 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.241 -0.912 . . . . 0.0 110.026 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.413 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 2.7 mt-30 -57.71 -40.97 80.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 0.0 110.029 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -55.14 -28.84 55.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 0.0 110.081 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -58.36 -63.2 1.36 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.302 -0.874 . . . . 0.0 110.027 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 5.5 pt-20 -57.33 -23.64 50.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.912 . . . . 0.0 110.084 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -63.45 -19.76 65.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 110.329 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 17.7 t80 -48.62 -36.41 15.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.239 -0.913 . . . . 0.0 110.553 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 58.4 mt -72.89 -36.86 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.97 . . . . 0.0 110.104 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.91 -20.37 61.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -0.906 . . . . 0.0 110.14 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.88 -61.18 1.54 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.218 -0.926 . . . . 0.0 110.226 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.198 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.228 0.537 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -157.26 74.09 4.36 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.216 -0.927 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' B' ' 12' ' ' ASN . 47.1 Cg_endo -72.69 -50.15 0.23 Allowed 'Trans proline' 0 C--N 1.311 -1.43 0 O-C-N 123.685 1.361 . . . . 0.0 110.37 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.76 -80.36 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.438 -0.789 . . . . 0.0 110.464 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' B' ' 10' ' ' PRO . 5.7 p-10 -137.31 20.88 2.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 0.0 110.329 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.542 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -78.88 -48.54 1.65 Allowed Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.256 -0.902 . . . . 0.0 110.045 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.542 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 52.3 Cg_endo -84.51 -44.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.308 1.162 . . . . 0.0 109.643 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttp -64.21 127.6 32.15 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.551 -0.718 . . . . 0.0 110.473 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 52.51 42.34 31.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.251 -0.906 . . . . 0.0 110.433 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 14.1 ptm -57.02 -22.96 42.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.269 -0.894 . . . . 0.0 110.022 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 70.2 m -152.2 170.26 8.28 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.313 -0.867 . . . . 0.0 109.968 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.418 ' HG2' ' HB3' ' B' ' 22' ' ' LEU . 50.2 Cg_endo -86.44 22.02 1.0 Allowed 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.682 1.359 . . . . 0.0 111.518 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.14 -66.33 0.17 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.156 -0.965 . . . . 0.0 110.847 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -47.67 -51.49 21.52 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.245 -0.909 . . . . 0.0 110.359 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.894 HD11 HD11 ' B' ' 26' ' ' ILE . 3.6 tp -68.78 -57.99 4.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.413 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 4.8 tt0 -46.42 -53.23 11.47 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.581 -0.7 . . . . 0.0 110.7 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -34.26 70.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.359 -0.838 . . . . 0.0 110.207 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -69.82 -51.99 28.91 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.269 -0.894 . . . . 0.0 110.148 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.894 HD11 HD11 ' B' ' 22' ' ' LEU . 43.4 mt -53.53 -55.9 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.213 -0.93 . . . . 0.0 110.239 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.83 -24.15 61.58 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.218 -0.926 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.17 -49.92 15.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.253 -0.904 . . . . 0.0 110.229 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.423 ' HB2' HD21 ' B' ' 52' ' ' LEU . 56.3 mt -69.73 -38.9 77.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.301 -0.874 . . . . 0.0 110.222 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.47 -50.44 73.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.225 -0.922 . . . . 0.0 110.216 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.85 -34.22 88.02 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.56 -26.5 60.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.278 -1.13 . . . . 0.0 110.184 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.622 ' CE ' HD21 ' A' ' 40' ' ' LEU . 6.8 tmm? -79.69 -27.28 40.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 1.5 mmt -78.2 -48.96 14.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.183 -0.948 . . . . 0.0 110.418 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.43 ' HG3' ' ND1' ' B' ' 36' ' ' HIS . 4.3 pt20 -51.58 -33.26 31.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.17 -0.956 . . . . 0.0 110.445 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.792 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 4.9 m-70 -76.57 -63.71 1.28 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.215 -0.928 . . . . 0.0 110.151 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -47.78 -36.5 11.75 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.278 -0.889 . . . . 0.0 109.992 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -70.67 -34.12 71.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.442 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -92.86 20.42 6.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.459 -0.776 . . . . 0.0 109.641 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.738 HD21 ' CE ' ' A' ' 33' ' ' MET . 0.2 OUTLIER 58.28 24.39 11.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.392 -0.818 . . . . 0.0 110.93 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.453 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 2.1 mm-40 -70.04 -49.35 52.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.104 -0.998 . . . . 0.0 109.007 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.719 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 4.4 m-85 49.04 -177.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.607 -0.683 . . . . 0.0 111.089 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 28.0 tt0 66.08 -62.7 0.25 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.738 0.78 . . . . 0.0 109.151 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' B' ' 42' ' ' PHE . 24.9 pt-20 -82.4 -29.56 30.74 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.312 0.577 . . . . 0.0 109.743 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.792 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.47 -47.8 13.76 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.4 -0.813 . . . . 0.0 111.223 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.711 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -68.77 -19.88 64.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.071 -1.018 . . . . 0.0 110.784 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' B' ' 43' ' ' GLU . 1.4 mp0 -78.87 -51.1 10.17 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.983 -1.073 . . . . 0.0 109.707 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.6 mt -51.04 -30.97 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.211 -0.931 . . . . 0.0 109.321 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.419 ' NH2' ' HB2' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -55.81 -23.86 32.7 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.419 ' HB2' ' NH2' ' B' ' 49' ' ' ARG . 9.2 t0 -79.43 -35.6 40.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.306 -0.871 . . . . 0.0 109.812 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.589 ' O ' HD12 ' B' ' 55' ' ' LEU . 17.9 mt-30 -69.28 -40.96 77.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.281 -0.887 . . . . 0.0 109.922 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.823 ' CD1' HG23 ' B' ' 26' ' ' ILE . 1.0 OUTLIER -54.79 -37.65 66.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.294 -0.879 . . . . 0.0 109.978 179.795 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.23 -54.92 22.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.33 -0.856 . . . . 0.0 110.023 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' B' ' 57' ' ' GLU . 2.7 mt-30 -57.73 -41.09 81.12 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.268 -0.895 . . . . 0.0 110.002 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.589 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.3 OUTLIER -55.02 -28.82 55.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.335 -0.853 . . . . 0.0 110.061 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -58.44 -63.08 1.4 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.27 -0.894 . . . . 0.0 110.046 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' B' ' 58' ' ' LEU . 5.5 pt-20 -57.5 -23.62 51.17 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.221 -0.924 . . . . 0.0 109.95 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' B' ' 57' ' ' GLU . 0.4 OUTLIER -63.45 -19.77 65.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.357 -0.84 . . . . 0.0 110.305 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' B' ' 59' ' ' PHE . 17.5 t80 -48.52 -36.45 15.31 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.197 -0.939 . . . . 0.0 110.568 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 58.8 mt -72.99 -36.81 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.303 -0.873 . . . . 0.0 110.031 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.82 -20.41 61.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.254 -0.904 . . . . 0.0 110.192 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.9 -61.21 1.53 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.178 -0.951 . . . . 0.0 110.202 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.185 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.207 0.527 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 17.8 tt0 53.01 54.34 12.91 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 0.0 110.236 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.8 Cg_endo -73.06 -52.73 0.14 Allowed 'Trans proline' 0 C--N 1.311 -1.403 0 O-C-N 123.724 1.381 . . . . 0.0 110.35 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.02 -81.78 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.436 -0.79 . . . . 0.0 110.377 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 10' ' ' PRO . 8.3 p30 -155.65 22.45 0.4 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.243 -0.911 . . . . 0.0 110.263 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -88.85 -48.22 0.42 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.261 -0.899 . . . . 0.0 110.184 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.532 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 52.1 Cg_endo -84.82 -44.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.346 1.182 . . . . 0.0 109.726 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.73 84.19 4.07 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.504 -0.748 . . . . 0.0 110.367 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -174.86 77.4 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.309 -0.869 . . . . 0.0 110.092 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 ptp -123.65 -18.99 5.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.314 -0.866 . . . . 0.0 110.729 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.422 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 0.7 OUTLIER 57.19 168.43 0.06 OUTLIER Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.071 -1.018 . . . . 0.0 109.988 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.641 ' HG3' HD23 ' A' ' 22' ' ' LEU . 43.8 Cg_endo -70.37 -7.93 22.4 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 O-C-N 123.582 1.306 . . . . 0.0 111.338 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? 63.59 -70.48 0.07 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.471 -0.768 . . . . 0.0 110.863 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -53.38 -60.38 3.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.866 -1.146 . . . . 0.0 109.771 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.976 HD11 HD11 ' A' ' 26' ' ' ILE . 4.0 tp -55.33 -61.16 2.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.416 -0.803 . . . . 0.0 109.215 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.414 ' OE1' ' CB ' ' A' ' 18' ' ' SER . 29.5 tt0 -49.05 -42.96 40.25 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.373 -0.83 . . . . 0.0 110.307 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -67.03 -32.89 74.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.918 . . . . 0.0 109.981 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -72.6 -48.51 39.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.323 -0.86 . . . . 0.0 110.068 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.976 HD11 HD11 ' A' ' 22' ' ' LEU . 80.0 mt -54.16 -54.45 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.207 -0.933 . . . . 0.0 109.952 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -23.8 65.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.0 110.033 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -79.95 -49.91 11.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.242 -0.911 . . . . 0.0 110.221 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HB3' HD23 ' A' ' 52' ' ' LEU . 4.4 mp -61.01 -44.68 97.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.148 -0.97 . . . . 0.0 110.123 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.8 -46.49 74.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.253 -0.904 . . . . 0.0 110.088 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.32 -30.57 73.55 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.37 -25.77 65.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.289 -1.124 . . . . 0.0 110.111 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.672 ' CE ' HD23 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -63.52 -60.5 3.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.306 -0.872 . . . . 0.0 110.085 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.7 tpp -60.91 -30.99 70.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.327 -0.858 . . . . 0.0 110.173 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -76.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.331 -0.856 . . . . 0.0 110.391 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.852 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 10.6 m170 -54.87 -46.23 74.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.197 -0.94 . . . . 0.0 110.11 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.95 -41.25 61.92 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.194 -0.941 . . . . 0.0 109.881 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -36.17 71.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 109.38 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -91.55 18.55 7.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.309 -0.869 . . . . 0.0 109.682 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.654 HD23 ' CE ' ' B' ' 33' ' ' MET . 6.8 mp 55.27 24.27 6.28 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.44 -0.788 . . . . 0.0 110.772 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.72 -44.59 77.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.924 . . . . 0.0 109.118 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.696 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 9.6 m-85 49.52 -178.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.572 -0.705 . . . . 0.0 111.077 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 29.3 tt0 66.25 -62.58 0.26 Allowed 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 121.693 0.759 . . . . 0.0 109.047 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' OE1' ' CE1' ' A' ' 36' ' ' HIS . 14.7 pt-20 -82.55 -31.01 29.31 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-O 121.325 0.584 . . . . 0.0 109.751 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.852 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -80.7 -44.98 17.87 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.292 -0.88 . . . . 0.0 111.166 -179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.706 ' HB2' ' CD1' ' B' ' 42' ' ' PHE . . . -77.22 -19.63 56.41 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.176 -0.953 . . . . 0.0 111.113 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 8.3 mm100 -70.56 -36.62 73.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.956 -1.09 . . . . 0.0 110.001 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.0 mt -51.3 -28.67 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.268 -0.895 . . . . 0.0 109.899 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -53.64 -24.35 13.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.423 -0.798 . . . . 0.0 109.33 179.277 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.41 ' CB ' ' NH2' ' A' ' 49' ' ' ARG . 13.3 t0 -78.89 -32.53 45.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.329 -0.857 . . . . 0.0 109.802 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -80.13 -46.7 15.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.301 -0.875 . . . . 0.0 109.977 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -59.38 -37.17 77.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.29 -0.881 . . . . 0.0 110.063 179.824 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -56.1 -51.67 67.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.887 . . . . 0.0 110.09 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.98 -37.19 64.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -0.848 . . . . 0.0 110.102 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.86 -34.64 78.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 0.0 110.131 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -53.59 -56.8 14.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.322 -0.861 . . . . 0.0 110.062 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.48 -39.04 82.43 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.265 -0.897 . . . . 0.0 109.886 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -53.24 -22.82 7.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 0.0 110.176 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.771 ' HA ' HD21 ' A' ' 22' ' ' LEU . 29.1 t80 -52.21 -54.19 34.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.246 -0.908 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.2 -38.61 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.196 -0.94 . . . . 0.0 110.173 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 58' ' ' LEU . . . -55.76 -22.82 26.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.23 -0.919 . . . . 0.0 110.186 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.73 -72.57 0.66 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.229 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.275 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.254 0.549 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' B' ' 10' ' ' PRO . 17.8 tt0 53.13 54.24 12.62 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.153 -0.967 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' B' ' 12' ' ' ASN . 46.7 Cg_endo -73.02 -52.66 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.725 1.382 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.95 -81.75 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.368 -0.833 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 10' ' ' PRO . 8.2 p30 -155.62 22.35 0.4 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.532 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -88.85 -48.14 0.42 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.169 -0.957 . . . . 0.0 110.139 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.532 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 52.1 Cg_endo -84.87 -44.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.313 -1.298 0 O-C-N 123.271 1.143 . . . . 0.0 109.748 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.72 84.15 4.07 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.531 -0.731 . . . . 0.0 110.379 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -174.82 77.5 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.212 -0.93 . . . . 0.0 110.036 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 4.4 ptp -123.62 -19.06 5.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.406 -0.808 . . . . 0.0 110.786 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.418 ' HB3' ' HD2' ' B' ' 19' ' ' PRO . 0.7 OUTLIER 57.17 168.38 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.096 -1.002 . . . . 0.0 109.976 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.633 ' HG3' HD23 ' B' ' 22' ' ' LEU . 44.0 Cg_endo -70.3 -8.02 22.61 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 O-C-N 123.545 1.287 . . . . 0.0 111.264 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? 63.6 -70.52 0.07 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.47 -0.769 . . . . 0.0 110.797 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -53.26 -60.47 3.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.923 -1.111 . . . . 0.0 109.794 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.986 HD11 HD11 ' B' ' 26' ' ' ILE . 4.0 tp -55.36 -61.16 2.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.342 -0.849 . . . . 0.0 109.163 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.418 ' OE1' ' CB ' ' B' ' 18' ' ' SER . 29.6 tt0 -49.04 -42.88 39.87 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.459 -0.775 . . . . 0.0 110.321 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -67.04 -32.98 74.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.268 -0.895 . . . . 0.0 109.844 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -72.67 -48.38 39.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.327 -0.858 . . . . 0.0 110.085 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.986 HD11 HD11 ' B' ' 22' ' ' LEU . 80.1 mt -54.34 -54.33 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 0.0 109.908 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -23.7 65.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.281 -0.887 . . . . 0.0 110.007 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.04 -49.88 11.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.317 -0.864 . . . . 0.0 110.159 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.433 ' HB3' HD23 ' B' ' 52' ' ' LEU . 4.4 mp -61.02 -44.65 97.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.92 . . . . 0.0 110.116 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.87 -46.46 74.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.293 -0.879 . . . . 0.0 110.081 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.32 -30.51 73.52 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 tp -68.51 -25.69 65.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -1.12 . . . . 0.0 110.108 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.654 ' CE ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -63.44 -60.6 3.15 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.289 -0.882 . . . . 0.0 110.088 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 37.5 tpp -60.84 -31.03 70.47 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 0.0 110.143 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -76.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.268 -0.895 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.837 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 10.6 m170 -54.8 -46.35 74.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.09 -1.006 . . . . 0.0 110.06 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.86 -41.28 61.74 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.148 -0.97 . . . . 0.0 109.841 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -36.17 71.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.324 -0.86 . . . . 0.0 109.372 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -91.6 18.58 7.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.457 -0.777 . . . . 0.0 109.687 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.672 HD23 ' CE ' ' A' ' 33' ' ' MET . 6.8 mp 55.26 24.39 6.36 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.459 -0.776 . . . . 0.0 110.682 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' B' ' 36' ' ' HIS . 2.2 mm-40 -67.73 -44.72 76.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.307 -0.871 . . . . 0.0 109.039 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.706 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 9.6 m-85 49.47 -178.03 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.588 -0.695 . . . . 0.0 111.026 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.502 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 29.3 tt0 66.13 -62.48 0.26 Allowed 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.7 0.762 . . . . 0.0 109.091 -178.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' B' ' 42' ' ' PHE . 14.7 pt-20 -82.55 -30.98 29.32 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.368 0.604 . . . . 0.0 109.78 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.837 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.71 -45.04 17.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 0.0 111.184 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.696 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -77.23 -19.58 56.44 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.186 -0.946 . . . . 0.0 111.076 -178.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.426 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 8.3 mm100 -70.55 -36.7 73.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.86 -1.15 . . . . 0.0 110.042 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.4 ' HB ' ' HG3' ' B' ' 33' ' ' MET . 60.9 mt -51.24 -28.69 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.211 -0.931 . . . . 0.0 109.881 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.41 ' NH2' ' CB ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -53.76 -24.22 14.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.427 -0.796 . . . . 0.0 109.293 179.319 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.41 ' CB ' ' NH2' ' B' ' 49' ' ' ARG . 13.3 t0 -78.84 -32.55 46.18 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.338 -0.851 . . . . 0.0 109.943 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -80.16 -46.71 15.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.302 -0.874 . . . . 0.0 109.964 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.545 ' O ' HD13 ' B' ' 52' ' ' LEU . 0.3 OUTLIER -59.33 -37.18 77.16 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.236 -0.915 . . . . 0.0 110.063 179.792 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -56.08 -51.62 67.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.31 -0.869 . . . . 0.0 110.066 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.13 -37.11 64.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.881 . . . . 0.0 110.075 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.86 -34.73 79.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.902 . . . . 0.0 110.1 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 37.3 ttt85 -53.56 -56.68 15.0 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.925 . . . . 0.0 110.129 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.62 -38.85 82.44 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.248 -0.908 . . . . 0.0 109.941 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.455 ' HA ' ' HB3' ' B' ' 61' ' ' ALA . 0.1 OUTLIER -53.31 -22.82 7.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -0.882 . . . . 0.0 110.204 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . 0.751 ' HA ' HD21 ' B' ' 22' ' ' LEU . 28.6 t80 -52.2 -54.28 32.81 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mt -77.07 -38.67 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.325 -0.859 . . . . 0.0 110.213 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' B' ' 58' ' ' LEU . . . -55.73 -22.77 25.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.273 -0.892 . . . . 0.0 110.227 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.78 -72.55 0.66 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.305 -0.872 . . . . 0.0 110.194 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.2 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.215 0.531 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -152.42 78.1 6.45 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.246 -0.909 . . . . 0.0 110.155 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.5 Cg_endo -73.29 -54.13 0.12 Allowed 'Trans proline' 0 C--N 1.311 -1.446 0 O-C-N 123.797 1.419 . . . . 0.0 110.524 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.48 -76.69 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.327 -0.858 . . . . 0.0 110.517 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -170.69 42.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.17 -0.956 . . . . 0.0 110.075 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.546 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -62.28 -55.64 38.2 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.255 -0.903 . . . . 0.0 109.957 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.546 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 48.1 Cg_endo -76.12 -89.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.357 0 O-C-N 123.319 1.168 . . . . 0.0 109.761 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.28 128.26 0.07 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.982 -1.073 . . . . 0.0 109.98 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 55.03 63.4 2.14 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.27 -0.894 . . . . 0.0 110.02 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 18' ' ' SER . 5.4 ptt? -50.75 -36.94 39.13 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.345 -0.847 . . . . 0.0 110.643 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.445 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . 9.0 m -147.82 161.86 33.56 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.164 -0.96 . . . . 0.0 110.473 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 22' ' ' LEU . 56.1 Cg_endo -85.36 31.38 0.49 Allowed 'Trans proline' 0 C--N 1.312 -1.358 0 O-C-N 123.737 1.388 . . . . 0.0 111.662 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 67.25 -65.62 0.22 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.954 -1.091 . . . . 0.0 110.118 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -49.39 -49.29 45.29 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.12 -0.987 . . . . 0.0 109.669 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -66.33 -56.21 12.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.429 -0.794 . . . . 0.0 108.872 178.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.445 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 3.7 tp60 -47.76 -51.94 20.47 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.3 0.571 . . . . 0.0 110.486 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.17 -35.32 80.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -0.908 . . . . 0.0 110.213 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -66.39 -43.72 85.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.285 -0.885 . . . . 0.0 110.239 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.576 HD11 HD12 ' A' ' 22' ' ' LEU . 97.5 mt -69.02 -53.8 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.213 -0.929 . . . . 0.0 110.168 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -58.57 -23.04 57.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 110.16 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -65.82 0.64 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 0.0 110.156 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.74 -37.35 86.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.218 -0.926 . . . . 0.0 110.15 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -46.65 89.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.183 -0.948 . . . . 0.0 109.92 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.32 -31.69 62.95 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 33.7 tp -75.8 -31.65 59.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -1.124 . . . . 0.0 109.964 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.488 ' HE2' ' HB2' ' A' ' 49' ' ' ARG . 5.2 tmm? -80.18 -26.95 39.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.412 -0.805 . . . . 0.0 110.214 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.19 -44.77 19.23 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.261 -0.899 . . . . 0.0 110.767 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 36' ' ' HIS . 5.0 pt20 -54.33 -36.31 63.64 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.22 -0.925 . . . . 0.0 110.643 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.444 ' N ' ' HG3' ' A' ' 35' ' ' GLN . 40.1 m80 -80.19 -49.16 12.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.115 -0.99 . . . . 0.0 110.237 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.902 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -50.59 -34.98 27.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.218 -0.926 . . . . 0.0 110.116 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -71.55 -38.66 70.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 109.926 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -92.31 20.07 6.44 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.248 -0.908 . . . . 0.0 110.105 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 53.78 24.17 4.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 110.448 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -108.02 14.77 24.93 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.303 -0.873 . . . . 0.0 110.089 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.069 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -76.75 27.49 0.13 Allowed 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.082 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -56.23 -69.64 0.14 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.281 -1.512 . . . . 0.0 107.369 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 45' ' ' ALA . 2.7 pt-20 -82.3 -20.06 38.18 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.639 -0.663 . . . . 0.0 109.43 177.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 1.069 ' HB3' ' HA ' ' A' ' 42' ' ' PHE . . . -72.45 -48.38 41.45 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.202 -0.937 . . . . 0.0 110.982 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.478 ' HB2' ' CD2' ' A' ' 42' ' ' PHE . . . -53.01 -34.02 54.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.107 -0.995 . . . . 0.0 110.462 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -28.85 37.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.203 -0.935 . . . . 0.0 110.054 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.459 HG22 HD23 ' A' ' 52' ' ' LEU . 34.3 mm -52.36 -30.09 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.146 -0.971 . . . . 0.0 109.323 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.488 ' HB2' ' HE2' ' A' ' 33' ' ' MET . 0.0 OUTLIER -53.97 -26.45 25.88 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.701 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' HA ' ' NH1' ' A' ' 49' ' ' ARG . 3.6 t0 -68.63 -36.14 78.22 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.511 -0.743 . . . . 0.0 109.392 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.934 ' O ' HD12 ' A' ' 55' ' ' LEU . 20.3 mt-30 -78.91 -35.81 42.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.352 -0.842 . . . . 0.0 109.828 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' CD1' HG23 ' A' ' 26' ' ' ILE . 1.1 mm? -57.66 -26.0 61.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.406 -0.809 . . . . 0.0 110.144 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.45 -45.54 30.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 0.0 110.268 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.41 -39.89 95.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.274 -0.891 . . . . 0.0 110.241 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.934 HD12 ' O ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -56.2 -29.08 60.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.185 -0.947 . . . . 0.0 110.167 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' HB3' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -54.45 -45.49 73.11 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 0.0 110.115 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.42 -61.7 2.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.268 -0.895 . . . . 0.0 110.188 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mt -45.58 -25.67 0.49 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 0.0 111.344 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' A' ' 56' ' ' ARG . 28.8 t80 -48.96 -47.85 43.58 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.991 -1.068 . . . . 0.0 110.642 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.9 mt -63.54 -41.78 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.3 -0.875 . . . . 0.0 110.15 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.64 -20.58 34.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.311 -0.868 . . . . 0.0 110.169 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.32 -64.59 1.07 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.183 -0.948 . . . . 0.0 110.203 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.233 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.232 0.539 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -152.38 77.99 6.51 Favored Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.309 -0.869 . . . . 0.0 110.211 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' B' ' 12' ' ' ASN . 45.7 Cg_endo -73.17 -54.21 0.12 Allowed 'Trans proline' 0 C--N 1.311 -1.403 0 O-C-N 123.722 1.38 . . . . 0.0 110.53 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.59 -76.74 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.37 -0.831 . . . . 0.0 110.507 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 10' ' ' PRO . 0.3 OUTLIER -170.75 42.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.151 -0.968 . . . . 0.0 110.065 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.547 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -62.29 -55.64 38.16 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.191 -0.943 . . . . 0.0 109.911 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.547 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 47.5 Cg_endo -76.18 -89.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.367 1.193 . . . . 0.0 109.728 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.24 128.2 0.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.885 -1.134 . . . . 0.0 110.027 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 55.08 63.44 2.12 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.134 -0.979 . . . . 0.0 109.988 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' B' ' 18' ' ' SER . 5.4 ptt? -50.77 -36.94 39.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.318 -0.863 . . . . 0.0 110.646 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.45 ' CB ' ' HB2' ' B' ' 23' ' ' GLN . 9.3 m -147.8 161.9 33.45 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.06 -1.025 . . . . 0.0 110.458 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' B' ' 22' ' ' LEU . 56.5 Cg_endo -85.29 31.19 0.49 Allowed 'Trans proline' 0 C--N 1.313 -1.316 0 O-C-N 123.68 1.358 . . . . 0.0 111.741 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 67.3 -65.65 0.22 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.951 -1.093 . . . . 0.0 110.129 -179.673 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -49.35 -49.36 44.66 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.112 -0.993 . . . . 0.0 109.664 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.573 HD12 HD11 ' B' ' 26' ' ' ILE . 0.1 OUTLIER -66.37 -56.11 12.63 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.677 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' B' ' 18' ' ' SER . 3.7 tp60 -47.83 -51.85 21.21 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.264 0.554 . . . . 0.0 110.505 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.19 -35.29 80.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.31 -0.869 . . . . 0.0 110.213 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -66.4 -43.76 84.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.265 -0.897 . . . . 0.0 110.222 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.573 HD11 HD12 ' B' ' 22' ' ' LEU . 97.5 mt -68.95 -53.95 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.222 -0.923 . . . . 0.0 110.114 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -58.54 -23.05 57.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.275 -0.891 . . . . 0.0 110.151 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.24 -65.83 0.63 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.861 . . . . 0.0 110.207 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.416 ' CB ' HD21 ' B' ' 52' ' ' LEU . 1.5 mp -65.75 -37.37 86.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.933 . . . . 0.0 110.103 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.72 -46.61 89.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.91 . . . . 0.0 109.932 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.35 -31.64 62.99 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.418 ' HA ' ' NE2' ' B' ' 35' ' ' GLN . 33.8 tp -75.85 -31.54 59.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.278 -1.131 . . . . 0.0 110.026 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.477 ' HE2' ' HB2' ' B' ' 49' ' ' ARG . 5.2 tmm? -80.25 -26.89 38.79 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.356 -0.84 . . . . 0.0 110.221 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -44.8 19.2 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.374 -0.829 . . . . 0.0 110.69 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' B' ' 36' ' ' HIS . 5.0 pt20 -54.44 -36.28 63.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.157 -0.964 . . . . 0.0 110.564 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' B' ' 35' ' ' GLN . 40.6 m80 -80.13 -49.15 12.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.1 -1.0 . . . . 0.0 110.349 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.902 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -50.56 -35.08 28.1 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.245 -0.909 . . . . 0.0 110.047 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -71.45 -38.69 71.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.306 -0.871 . . . . 0.0 110.027 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -92.33 20.07 6.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 0.0 110.097 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 53.8 24.23 4.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.215 -0.928 . . . . 0.0 110.346 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -108.11 14.7 24.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.345 -0.847 . . . . 0.0 110.091 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 1.048 ' HA ' ' HB3' ' B' ' 45' ' ' ALA . 0.0 OUTLIER -76.56 27.29 0.13 Allowed 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -179.146 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -56.1 -69.64 0.14 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.299 -1.501 . . . . 0.0 107.441 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' B' ' 45' ' ' ALA . 2.7 pt-20 -82.29 -20.02 38.33 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.664 -0.647 . . . . 0.0 109.482 177.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 1.048 ' HB3' ' HA ' ' B' ' 42' ' ' PHE . . . -72.55 -48.42 40.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.209 -0.932 . . . . 0.0 110.947 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.479 ' HB2' ' CD2' ' B' ' 42' ' ' PHE . . . -52.89 -34.07 53.15 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.082 -1.011 . . . . 0.0 110.477 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -28.75 37.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.214 -0.929 . . . . 0.0 110.087 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.456 HG22 HD23 ' B' ' 52' ' ' LEU . 34.5 mm -52.42 -29.98 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.132 -0.98 . . . . 0.0 109.348 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.477 ' HB2' ' HE2' ' B' ' 33' ' ' MET . 0.0 OUTLIER -54.01 -26.49 26.55 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -68.66 -36.19 78.23 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.44 -0.788 . . . . 0.0 109.326 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.943 ' O ' HD12 ' B' ' 55' ' ' LEU . 20.2 mt-30 -78.94 -35.79 42.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.325 -0.859 . . . . 0.0 109.795 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.485 ' CD1' HG23 ' B' ' 26' ' ' ILE . 1.1 mm? -57.64 -26.03 61.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.372 -0.83 . . . . 0.0 110.193 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.36 -45.63 31.09 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.295 -0.878 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.24 -40.03 96.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.943 HD12 ' O ' ' B' ' 51' ' ' GLN . 0.4 OUTLIER -56.16 -29.15 60.4 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.256 -0.903 . . . . 0.0 110.19 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' B' ' 59' ' ' PHE . 0.5 OUTLIER -54.32 -45.6 72.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.236 -0.915 . . . . 0.0 110.137 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.44 -61.63 2.12 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.283 -0.886 . . . . 0.0 110.174 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mt -45.63 -25.59 0.49 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.568 -0.707 . . . . 0.0 111.32 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' B' ' 56' ' ' ARG . 28.9 t80 -48.99 -47.98 43.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.962 -1.087 . . . . 0.0 110.584 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 16.9 mt -63.38 -41.86 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.171 -0.956 . . . . 0.0 110.16 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.69 -20.49 34.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.203 -0.936 . . . . 0.0 110.181 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.36 -64.53 1.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.188 -0.945 . . . . 0.0 110.19 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.213 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.321 0.581 . . . . 0.0 110.226 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 53.13 86.15 0.17 Allowed Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.155 -0.966 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' ASN . 45.7 Cg_endo -72.8 -45.75 0.48 Allowed 'Trans proline' 0 C--N 1.311 -1.419 0 O-C-N 123.658 1.346 . . . . 0.0 110.364 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.67 -79.47 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.395 -0.815 . . . . 0.0 110.388 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' PRO . 2.6 p-10 -153.54 22.87 0.53 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.21 -0.931 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' HB ' ' HD3' ' A' ' 14' ' ' PRO . 2.3 t -67.48 -57.63 10.02 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.23 -0.919 . . . . 0.0 109.728 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.532 ' HD3' ' HB ' ' A' ' 13' ' ' VAL . 51.1 Cg_endo -76.01 -49.17 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.376 0 O-C-N 123.437 1.23 . . . . 0.0 109.247 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 tpp -175.17 174.17 2.47 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.609 -0.682 . . . . 0.0 110.04 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -168.24 73.21 0.1 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.206 -0.934 . . . . 0.0 110.349 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' 18' ' ' SER . 5.1 ptp -52.51 -38.7 60.16 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.198 -0.939 . . . . 0.0 110.194 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.452 ' HB3' ' N ' ' A' ' 23' ' ' GLN . 73.8 m -105.98 141.29 22.41 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.294 -0.879 . . . . 0.0 110.007 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 21' ' ' ALA . 49.1 Cg_endo -70.98 55.95 1.85 Allowed 'Trans proline' 0 C--N 1.311 -1.407 0 O-C-N 123.616 1.324 . . . . 0.0 111.57 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' CD ' ' C ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 56.42 -74.31 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.567 -0.708 . . . . 0.0 111.252 178.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -48.16 -47.16 35.15 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.977 -1.077 . . . . 0.0 109.961 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.475 ' HB2' ' HG2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -66.3 -50.69 62.8 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.369 -0.832 . . . . 0.0 109.173 178.771 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.452 ' N ' ' HB3' ' A' ' 18' ' ' SER . 6.3 tt0 -51.46 -56.78 11.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.721 -0.612 . . . . 0.0 110.361 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -43.92 97.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.323 -0.861 . . . . 0.0 110.311 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -52.91 -50.54 63.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.227 -0.921 . . . . 0.0 110.361 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.743 HG23 ' CD1' ' A' ' 52' ' ' LEU . 90.7 mt -66.64 -58.26 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 0.0 110.294 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -55.14 -21.29 12.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 110.358 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.64 -44.81 26.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.194 -0.941 . . . . 0.0 110.302 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.581 ' HB2' HD21 ' A' ' 52' ' ' LEU . 13.9 mt -75.14 -40.82 59.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.226 -0.921 . . . . 0.0 110.348 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -41.23 79.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.216 -0.928 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.83 -27.31 73.98 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 tp -80.0 -27.66 39.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.204 -1.174 . . . . 0.0 110.237 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.935 ' HE2' HD21 ' B' ' 40' ' ' LEU . 4.7 tmm? -73.51 -56.95 4.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.955 . . . . 0.0 110.292 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.48 -37.11 64.88 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -0.881 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -73.9 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.23 -0.919 . . . . 0.0 110.318 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.863 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 28.6 m170 -47.11 -54.16 11.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.315 -0.866 . . . . 0.0 110.878 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.8 -43.79 48.75 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.08 -1.013 . . . . 0.0 109.719 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -68.27 -31.8 71.51 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.397 -0.814 . . . . 0.0 109.237 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -90.46 15.17 11.2 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.524 -0.735 . . . . 0.0 109.836 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.848 HD21 ' CE ' ' B' ' 33' ' ' MET . 0.2 OUTLIER 59.78 27.96 17.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.324 -0.86 . . . . 0.0 111.092 179.788 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HB2' ' CA ' ' A' ' 36' ' ' HIS . 3.6 mm-40 -77.63 -45.87 23.79 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.066 -1.022 . . . . 0.0 109.104 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.699 ' CE1' ' HB2' ' B' ' 46' ' ' ALA . 3.5 m-85 49.47 -178.41 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.585 -0.697 . . . . 0.0 111.094 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 45.8 tt0 66.12 -62.68 0.25 Allowed 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 121.767 0.794 . . . . 0.0 109.113 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' OE2' ' CD2' ' A' ' 36' ' ' HIS . 16.8 pt-20 -82.15 -30.4 31.06 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-O 121.377 0.608 . . . . 0.0 109.553 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.863 ' HB2' ' HB2' ' A' ' 36' ' ' HIS . . . -80.58 -48.39 12.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.327 -0.858 . . . . 0.0 110.893 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -69.13 -19.83 64.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -0.952 . . . . 0.0 110.429 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.72 -50.18 12.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.098 -1.001 . . . . 0.0 109.67 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.4 mt -51.61 -32.4 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.206 -0.934 . . . . 0.0 109.566 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.407 ' NH2' ' CB ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -54.22 -24.8 19.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.506 -0.746 . . . . 0.0 109.214 178.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.407 ' CB ' ' NH2' ' A' ' 49' ' ' ARG . 12.2 t0 -80.07 -29.7 39.18 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.34 -0.85 . . . . 0.0 109.852 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.11 -40.45 68.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.326 -0.859 . . . . 0.0 110.069 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.743 ' CD1' HG23 ' A' ' 26' ' ' ILE . 1.2 mm? -53.18 -30.62 38.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.201 -0.937 . . . . 0.0 110.093 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -37.81 33.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -0.906 . . . . 0.0 109.996 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -67.73 -39.31 84.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.299 -0.875 . . . . 0.0 110.111 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -21.18 59.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.33 -0.856 . . . . 0.0 110.225 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ttt85 -52.83 -51.89 59.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.221 -0.925 . . . . 0.0 110.213 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.34 -44.26 79.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 0.0 110.031 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -22.74 8.29 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.31 -0.869 . . . . 0.0 110.164 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -52.64 -38.96 61.25 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.243 -0.91 . . . . 0.0 110.251 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.4 mt -71.85 -36.16 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.214 -0.929 . . . . 0.0 110.188 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.39 -21.92 66.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.217 -0.927 . . . . 0.0 110.159 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.05 -66.33 0.91 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.249 -0.907 . . . . 0.0 110.234 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.6 p . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.201 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.281 0.562 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 53.15 86.26 0.17 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.312 -0.868 . . . . 0.0 110.157 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' B' ' 12' ' ' ASN . 45.9 Cg_endo -72.82 -45.7 0.48 Allowed 'Trans proline' 0 C--N 1.311 -1.443 0 O-C-N 123.725 1.381 . . . . 0.0 110.419 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.54 -79.46 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.468 -0.77 . . . . 0.0 110.448 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 10' ' ' PRO . 2.6 p-10 -153.52 22.88 0.53 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.528 ' HB ' ' HD3' ' B' ' 14' ' ' PRO . 2.3 t -67.44 -57.66 10.03 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.189 -0.944 . . . . 0.0 109.685 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.528 ' HD3' ' HB ' ' B' ' 13' ' ' VAL . 51.2 Cg_endo -76.02 -49.3 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 O-C-N 123.442 1.233 . . . . 0.0 109.196 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.9 tpp -175.09 174.23 2.49 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.605 -0.684 . . . . 0.0 110.02 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -168.19 73.17 0.11 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.17 -0.956 . . . . 0.0 110.347 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' B' ' 18' ' ' SER . 5.1 ptp -52.48 -38.75 60.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.289 -0.882 . . . . 0.0 110.199 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.45 ' HB3' ' N ' ' B' ' 23' ' ' GLN . 74.0 m -105.94 141.21 22.22 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.223 -0.923 . . . . 0.0 110.091 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' B' ' 21' ' ' ALA . 50.8 Cg_endo -70.84 56.01 1.8 Allowed 'Trans proline' 0 C--N 1.312 -1.393 0 O-C-N 123.585 1.308 . . . . 0.0 111.614 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.417 ' CD ' ' C ' ' B' ' 19' ' ' PRO . 0.0 OUTLIER 56.33 -74.3 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.406 0 O-C-N 121.564 -0.71 . . . . 0.0 111.322 178.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -48.24 -47.11 36.11 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.962 -1.086 . . . . 0.0 109.892 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.473 ' HB2' ' HG2' ' B' ' 19' ' ' PRO . 0.1 OUTLIER -66.28 -50.73 62.68 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.44 -0.787 . . . . 0.0 109.168 178.786 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.45 ' N ' ' HB3' ' B' ' 18' ' ' SER . 6.3 tt0 -51.46 -56.77 11.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.694 -0.629 . . . . 0.0 110.323 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -43.91 97.99 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.204 -0.935 . . . . 0.0 110.335 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -52.83 -50.63 63.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.237 -0.914 . . . . 0.0 110.37 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.749 HG23 ' CD1' ' B' ' 52' ' ' LEU . 90.7 mt -66.57 -58.28 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.252 -0.905 . . . . 0.0 110.338 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -55.16 -21.33 13.05 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.221 -0.924 . . . . 0.0 110.302 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.56 -44.89 27.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.941 . . . . 0.0 110.317 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.581 ' HB2' HD21 ' B' ' 52' ' ' LEU . 13.8 mt -75.05 -41.01 59.93 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.212 -0.93 . . . . 0.0 110.262 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -41.18 79.43 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.302 -0.874 . . . . 0.0 110.234 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.87 -27.25 74.04 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 tp -80.09 -27.62 39.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.271 -1.135 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . 0.848 ' CE ' HD21 ' A' ' 40' ' ' LEU . 4.7 tmm? -73.46 -56.9 4.43 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.934 . . . . 0.0 110.297 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.59 -37.12 65.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.164 -0.96 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.62 -73.87 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.313 -0.867 . . . . 0.0 110.325 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.843 ' HB2' ' HB2' ' B' ' 45' ' ' ALA . 28.9 m170 -47.06 -54.21 10.88 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.41 -0.806 . . . . 0.0 110.889 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.81 -43.79 48.83 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.102 -0.999 . . . . 0.0 109.66 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -68.23 -31.81 71.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.361 -0.837 . . . . 0.0 109.291 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -90.56 15.31 11.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.447 -0.783 . . . . 0.0 109.806 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.935 HD21 ' HE2' ' A' ' 33' ' ' MET . 0.2 OUTLIER 59.79 27.9 17.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.315 -0.866 . . . . 0.0 111.1 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.451 ' HB2' ' CA ' ' B' ' 36' ' ' HIS . 3.6 mm-40 -77.55 -45.99 23.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.072 -1.018 . . . . 0.0 109.136 178.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.7 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 3.5 m-85 49.58 -178.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.597 -0.689 . . . . 0.0 111.085 179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 45.9 tt0 66.04 -62.55 0.25 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.78 0.8 . . . . 0.0 109.128 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.467 ' OE2' ' CD2' ' B' ' 36' ' ' HIS . 16.8 pt-20 -82.16 -30.4 31.03 Favored 'General case' 0 C--N 1.29 -1.978 0 CA-C-O 121.366 0.603 . . . . 0.0 109.559 178.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.843 ' HB2' ' HB2' ' B' ' 36' ' ' HIS . . . -80.57 -48.47 12.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 110.911 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.699 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . . . -69.14 -19.82 64.03 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.246 -0.909 . . . . 0.0 110.412 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -77.64 -50.24 12.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.135 -0.978 . . . . 0.0 109.713 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 69.5 mt -51.54 -32.47 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.256 -0.902 . . . . 0.0 109.459 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.409 ' NH2' ' HB2' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -54.28 -24.67 19.81 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.49 -0.756 . . . . 0.0 109.141 179.065 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.409 ' HB2' ' NH2' ' B' ' 49' ' ' ARG . 12.3 t0 -80.24 -29.58 38.43 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 0.0 109.808 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.21 -40.4 67.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.308 -0.87 . . . . 0.0 110.034 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.749 ' CD1' HG23 ' B' ' 26' ' ' ILE . 1.2 mm? -53.24 -30.56 38.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 0.0 110.085 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -37.73 33.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.338 -0.851 . . . . 0.0 110.097 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -67.79 -39.24 84.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.883 . . . . 0.0 110.12 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -21.23 59.1 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.909 . . . . 0.0 110.192 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 14.9 ttt85 -52.82 -51.94 58.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.206 -0.934 . . . . 0.0 110.258 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.29 -44.18 79.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 110.111 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -22.88 7.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.367 -0.833 . . . . 0.0 110.205 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -52.63 -38.96 61.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.279 -0.888 . . . . 0.0 110.228 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 29.3 mt -71.81 -36.21 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.254 -0.904 . . . . 0.0 110.138 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.37 -21.83 66.51 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.317 -0.865 . . . . 0.0 110.177 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.13 -66.45 0.91 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.182 -0.948 . . . . 0.0 110.179 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.229 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.238 0.542 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -159.23 75.66 3.23 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.266 -0.896 . . . . 0.0 110.177 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 12' ' ' ASN . 44.4 Cg_endo -73.81 -57.5 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.657 1.346 . . . . 0.0 110.581 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.32 -83.02 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.485 -0.759 . . . . 0.0 110.436 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 10' ' ' PRO . 3.5 p-10 -149.23 34.57 0.73 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.193 -0.942 . . . . 0.0 110.095 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.638 HG12 ' HD3' ' A' ' 14' ' ' PRO . 7.3 p -81.66 -24.94 0.39 Allowed Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.257 -0.902 . . . . 0.0 112.899 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.638 ' HD3' HG12 ' A' ' 13' ' ' VAL . 49.7 Cg_endo -79.63 -58.83 0.03 OUTLIER 'Trans proline' 0 N--CA 1.481 0.749 0 N-CA-C 110.193 -0.733 . . . . 0.0 110.193 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.6 mtt 50.6 -169.92 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.275 -0.891 . . . . 0.0 110.512 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -158.46 43.53 0.28 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.263 -0.898 . . . . 0.0 110.057 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.8 ptm -53.55 -28.67 32.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.26 -0.9 . . . . 0.0 110.297 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.427 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 1.3 m -65.78 148.8 98.04 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.238 -0.913 . . . . 0.0 110.241 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.487 ' HG2' HD13 ' A' ' 22' ' ' LEU . 49.4 Cg_endo -86.3 30.51 0.48 Allowed 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.633 1.333 . . . . 0.0 111.654 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 19' ' ' PRO . 11.2 tmtt? 63.83 -68.83 0.09 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.194 -0.941 . . . . 0.0 111.504 179.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . -46.97 -48.3 21.62 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.094 -1.004 . . . . 0.0 110.984 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.644 ' N ' HD12 ' A' ' 22' ' ' LEU . 10.2 mp -80.75 -37.76 29.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.294 -0.879 . . . . 0.0 109.38 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -50.35 -53.29 30.06 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.783 -0.573 . . . . 0.0 110.524 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -66.8 -41.65 87.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.161 -0.962 . . . . 0.0 110.393 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -62.17 -38.3 88.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 110.436 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.511 HG23 ' CD1' ' A' ' 52' ' ' LEU . 95.3 mt -80.06 -43.76 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.22 -0.925 . . . . 0.0 110.47 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -65.63 -31.52 72.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.241 -0.912 . . . . 0.0 110.535 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -80.11 -37.89 32.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.156 -0.965 . . . . 0.0 110.445 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.567 ' HB3' HD23 ' A' ' 52' ' ' LEU . 35.5 mt -73.13 -34.09 65.91 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.167 -0.958 . . . . 0.0 110.441 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.04 -50.22 74.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.0 110.452 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.37 -29.08 73.0 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 32' ' ' LEU . 7.9 tp -63.49 -30.4 71.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.153 -1.204 . . . . 0.0 110.392 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mtp -62.6 -58.23 8.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.206 -0.934 . . . . 0.0 110.418 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 ttm -57.92 -43.29 86.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.277 -0.89 . . . . 0.0 110.473 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -75.7 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.236 -0.915 . . . . 0.0 110.559 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.762 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . 15.6 m-70 -50.83 -54.65 21.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.207 -0.933 . . . . 0.0 110.569 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.41 ' HB1' ' HB1' ' B' ' 37' ' ' ALA . . . -48.02 -41.17 24.91 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.178 -0.951 . . . . 0.0 110.177 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -61.94 -33.53 74.44 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.0 109.276 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -91.77 18.52 7.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.43 -0.794 . . . . 0.0 109.606 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.445 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.0 mp 55.83 23.52 6.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.416 -0.803 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 36' ' ' HIS . 2.9 mm-40 -67.29 -47.52 70.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.164 -0.96 . . . . 0.0 108.95 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.697 ' CD1' ' HB2' ' B' ' 46' ' ' ALA . 3.9 m-85 48.29 -176.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.682 -0.636 . . . . 0.0 111.247 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 26.4 tt0 65.6 -63.62 0.21 Allowed 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 121.75 0.786 . . . . 0.0 109.151 -178.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' PHE . 14.2 pt-20 -82.63 -29.8 29.86 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-O 121.406 0.622 . . . . 0.0 109.839 178.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.762 ' HB2' ' CB ' ' A' ' 36' ' ' HIS . . . -80.76 -47.11 14.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.334 -0.854 . . . . 0.0 111.288 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.693 ' HB2' ' CE1' ' B' ' 42' ' ' PHE . . . -73.3 -37.76 66.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.15 -0.969 . . . . 0.0 110.779 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 8.2 mm-40 -52.96 -23.11 6.57 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.9 -1.125 . . . . 0.0 110.245 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.61 -27.98 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.361 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -54.29 -25.79 25.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.02 -1.05 . . . . 0.0 109.93 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.02 -38.85 31.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.359 -0.838 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -75.85 -45.88 33.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.908 . . . . 0.0 110.204 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.567 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -58.5 -36.96 74.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.237 -0.914 . . . . 0.0 110.138 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 2.5 t-80 -71.44 -39.11 71.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.912 . . . . 0.0 110.099 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -71.48 -38.57 71.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.905 . . . . 0.0 109.991 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -60.2 -27.82 67.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -0.869 . . . . 0.0 110.032 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -62.34 -70.63 0.19 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 0.0 109.503 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.608 ' O ' HD12 ' A' ' 60' ' ' ILE . 14.6 mt-10 -51.02 -38.35 50.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.484 -0.76 . . . . 0.0 110.0 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.19 -21.46 13.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.313 -0.867 . . . . 0.0 110.079 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -49.89 -44.68 50.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.248 -0.908 . . . . 0.0 110.287 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.6 mp -67.17 -38.12 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.0 110.107 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -22.13 65.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.266 -0.896 . . . . 0.0 110.059 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.82 -67.93 0.84 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.351 -0.843 . . . . 0.0 110.127 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 117.919 -1.038 . . . . 0.0 110.179 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.245 0.545 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -159.16 75.74 3.24 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.172 -0.955 . . . . 0.0 110.251 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' B' ' 12' ' ' ASN . 44.6 Cg_endo -73.82 -57.49 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.65 1.342 . . . . 0.0 110.566 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.26 -82.97 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.398 -0.814 . . . . 0.0 110.499 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' B' ' 10' ' ' PRO . 3.5 p-10 -149.28 34.65 0.72 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.166 -0.959 . . . . 0.0 110.09 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.637 HG12 ' HD3' ' B' ' 14' ' ' PRO . 7.4 p -81.69 -24.99 0.39 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.872 . . . . 0.0 112.829 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . 0.637 ' HD3' HG12 ' B' ' 13' ' ' VAL . 49.6 Cg_endo -79.6 -58.87 0.03 OUTLIER 'Trans proline' 0 N--CA 1.481 0.773 0 N-CA-C 110.196 -0.732 . . . . 0.0 110.196 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.6 mtt 50.67 -169.88 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.0 110.474 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -158.52 43.39 0.27 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.26 -0.9 . . . . 0.0 110.057 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 24.9 ptm -53.36 -28.82 31.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.208 -0.932 . . . . 0.0 110.318 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' B' ' 19' ' ' PRO . 1.3 m -65.72 148.81 98.0 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.214 -0.929 . . . . 0.0 110.16 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.493 ' HG2' HD13 ' B' ' 22' ' ' LEU . 48.8 Cg_endo -86.32 30.44 0.48 Allowed 'Trans proline' 0 C--N 1.312 -1.367 0 O-C-N 123.704 1.37 . . . . 0.0 111.631 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' B' ' 19' ' ' PRO . 11.2 tmtt? 63.88 -68.8 0.09 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.224 -0.922 . . . . 0.0 111.424 179.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' B' ' 19' ' ' PRO . . . -46.97 -48.32 21.64 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.071 -1.018 . . . . 0.0 110.95 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.634 HD12 ' N ' ' B' ' 22' ' ' LEU . 10.2 mp -80.82 -37.79 29.47 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 0.0 109.314 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -50.34 -53.14 31.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.765 -0.584 . . . . 0.0 110.615 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -66.87 -41.73 86.81 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.144 -0.972 . . . . 0.0 110.345 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -62.12 -38.26 88.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.137 -0.977 . . . . 0.0 110.438 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.502 HG23 ' CD1' ' B' ' 52' ' ' LEU . 95.3 mt -80.1 -43.86 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.221 -0.924 . . . . 0.0 110.463 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -65.61 -31.45 72.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.243 -0.911 . . . . 0.0 110.551 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -80.01 -38.02 32.92 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.147 -0.971 . . . . 0.0 110.438 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.57 ' HB3' HD23 ' B' ' 52' ' ' LEU . 35.4 mt -73.08 -34.19 66.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.194 -0.941 . . . . 0.0 110.408 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.02 -50.17 74.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 110.457 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.38 -29.11 73.0 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.56 -30.33 71.46 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.172 -1.193 . . . . 0.0 110.369 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mtp -62.62 -58.17 8.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.152 -0.968 . . . . 0.0 110.466 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 5.8 ttm -58.02 -43.11 86.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.274 -0.892 . . . . 0.0 110.555 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.18 -75.81 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.196 -0.94 . . . . 0.0 110.556 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . 0.763 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . 15.7 m-70 -50.83 -54.63 22.09 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.259 -0.901 . . . . 0.0 110.562 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.41 ' HB1' ' HB1' ' A' ' 37' ' ' ALA . . . -48.04 -41.11 24.9 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.214 -0.929 . . . . 0.0 110.199 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -62.06 -33.33 74.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.202 -0.936 . . . . 0.0 109.313 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -91.85 18.43 7.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.461 -0.774 . . . . 0.0 109.615 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.435 HD12 ' N ' ' B' ' 40' ' ' LEU . 6.0 mp 55.94 23.53 6.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.475 -0.766 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.37 -47.51 70.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 108.928 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.693 ' CE1' ' HB2' ' A' ' 46' ' ' ALA . 3.9 m-85 48.35 -176.32 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.667 -0.645 . . . . 0.0 111.224 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.488 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 26.4 tt0 65.65 -63.57 0.21 Allowed 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.735 0.779 . . . . 0.0 109.127 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' B' ' 42' ' ' PHE . 14.1 pt-20 -82.69 -29.81 29.64 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-O 121.371 0.605 . . . . 0.0 109.836 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.763 ' HB2' ' CB ' ' B' ' 36' ' ' HIS . . . -80.81 -47.0 14.47 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.399 -0.813 . . . . 0.0 111.243 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.697 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . . . -73.29 -37.81 66.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.205 -0.935 . . . . 0.0 110.864 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' B' ' 43' ' ' GLU . 8.2 mm-40 -52.95 -23.12 6.57 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.99 -1.069 . . . . 0.0 110.208 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 90.6 mt -64.62 -27.94 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.32 -0.862 . . . . 0.0 110.363 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' B' ' 46' ' ' ALA . 0.2 OUTLIER -54.38 -25.63 25.52 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.06 -1.025 . . . . 0.0 109.951 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.09 -38.79 30.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.355 -0.841 . . . . 0.0 110.111 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -75.98 -45.9 32.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.908 . . . . 0.0 110.096 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' B' ' 29' ' ' LEU . 0.2 OUTLIER -58.55 -36.84 74.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.235 -0.916 . . . . 0.0 110.166 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' B' ' 49' ' ' ARG . 2.5 t-80 -71.42 -39.25 71.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -0.91 . . . . 0.0 110.05 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -71.38 -38.65 71.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 110.052 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.411 ' HB3' HG12 ' B' ' 26' ' ' ILE . 43.0 mt -60.18 -27.95 67.54 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.293 -0.879 . . . . 0.0 109.962 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -62.27 -70.55 0.19 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.334 -0.854 . . . . 0.0 109.562 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.609 ' O ' HD12 ' B' ' 60' ' ' ILE . 14.5 mt-10 -51.05 -38.3 50.7 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.481 -0.762 . . . . 0.0 110.025 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 mt -55.25 -21.39 14.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.332 -0.855 . . . . 0.0 110.113 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -49.91 -44.68 50.32 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.199 -0.938 . . . . 0.0 110.268 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.609 HD12 ' O ' ' B' ' 57' ' ' GLU . 2.6 mp -67.21 -38.16 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.181 -0.95 . . . . 0.0 110.015 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.1 -22.22 65.63 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.2 -0.938 . . . . 0.0 110.077 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.68 -67.93 0.84 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.354 -0.841 . . . . 0.0 110.269 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . 0.408 ' HB2' ' HB3' ' B' ' 19' ' ' PRO . 35.2 t . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.215 179.915 . . . . . . . . 1 1 . 1 stop_ save_