data_1l6e_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 1l6e _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 ' 11' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 15' ' ' LEU . 2.7 tm? . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.29 0.567 . . . . 10.0 110.174 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 13' ' ' GLU . 74.4 m -59.06 -70.7 0.14 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.931 . . . . 10.0 110.12 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.3 tp10 -42.04 -61.81 1.07 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.403 -0.81 . . . . 10.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 14' ' ' LEU . 8.1 mt -43.58 -62.09 1.19 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.192 -0.943 . . . . 10.0 110.082 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 11' ' ' LEU . 18.2 mt -52.46 -50.31 62.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.17 -0.956 . . . . 10.0 110.054 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.24 -61.68 1.12 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.903 . . . . 10.0 110.002 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -44.42 -49.48 8.38 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.066 -1.614 . . . . 10.0 109.066 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.575 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -41.33 -62.89 0.77 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.41 -1.053 . . . . 10.0 110.253 179.718 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.578 ' O ' ' HB2' ' A' ' 23' A LEU . 0.6 OUTLIER -50.28 -35.69 28.3 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.345 -0.847 . . . . 10.0 109.95 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 42.1 t -70.56 -24.51 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.263 -0.898 . . . . 10.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' OE2' ' CZ ' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -90.86 -64.32 1.15 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.167 -0.958 . . . . 10.0 110.066 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.52 HG23 ' CE2' ' A' ' 33' ' ' PHE . 9.8 t -45.68 -27.11 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.626 -0.671 . . . . 10.0 110.687 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 19' ' ' THR . 4.5 mp -88.47 -41.22 12.9 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.981 -1.074 . . . . 10.0 110.545 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.553 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -71.41 1.37 6.42 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.1 -1.0 . . . . 10.0 110.551 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.693 ' O ' ' C ' ' A' ' 26' ' ' GLN . 16.8 pt20 -159.2 20.58 0.19 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.092 -1.005 . . . . 10.0 110.614 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' A' ' 25' ' ' GLN . 8.9 mt-30 0.59 89.42 0.03 OUTLIER Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.701 -0.624 . . . . 10.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.88 160.48 49.59 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 123.974 1.513 . . . . 10.0 110.694 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.53 -8.41 23.52 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 O-C-N 124.072 1.564 . . . . 10.0 110.635 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -168.33 139.6 2.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 10.0 110.273 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.526 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -82.78 -62.89 1.48 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.264 -0.897 . . . . 10.0 110.189 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 30' ' ' LEU . 12.1 t -34.37 -63.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.361 -0.837 . . . . 10.0 110.098 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -58.86 -41.54 87.25 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.539 -0.726 . . . . 10.0 110.144 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.52 ' CE2' HG23 ' A' ' 22' ' ' VAL . 79.8 t80 -64.74 -34.47 78.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.262 -0.899 . . . . 10.0 109.703 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.575 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -67.87 -39.33 83.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.378 -0.826 . . . . 10.0 109.735 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.625 HG23 ' OG1' ' B' ' 39' ' ' THR . 5.2 t -71.14 -42.33 75.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.416 -0.803 . . . . 10.0 110.135 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 6.0 mm-40 -69.04 -54.86 12.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.215 -0.928 . . . . 10.0 110.527 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.539 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 41.2 t80 -55.94 -49.71 72.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.189 -0.945 . . . . 10.0 110.686 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 13.6 m-85 -70.34 -51.27 31.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 10.0 110.579 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.626 ' OG1' HG23 ' B' ' 35' ' ' VAL . 16.2 m -45.02 -36.96 3.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.988 -1.07 . . . . 10.0 109.746 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.509 ' HD2' ' O ' ' A' ' 36' ' ' GLU . 20.2 mtt180 -79.77 -38.24 33.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.872 . . . . 10.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.5 tp -46.96 -33.33 4.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.968 . . . . 10.0 110.02 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' CD ' HG12 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -59.83 -32.71 70.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 10.0 110.093 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 10.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.469 HD12 HD12 ' B' ' 15' ' ' LEU . 2.7 tm? . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.237 0.541 . . . . 10.0 110.197 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.425 ' O ' ' C ' ' B' ' 13' ' ' GLU . 72.5 m -59.04 -70.63 0.14 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.234 -0.916 . . . . 10.0 110.131 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.3 tp10 -41.84 -61.92 1.01 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.42 -0.8 . . . . 10.0 110.235 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' B' ' 14' ' ' LEU . 8.3 mt -43.58 -62.06 1.2 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 10.0 110.143 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.469 HD12 HD12 ' B' ' 11' ' ' LEU . 18.1 mt -52.45 -50.26 62.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.893 . . . . 10.0 110.071 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' B' ' 17' ' ' GLY . 0.0 OUTLIER -42.26 -61.86 1.08 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 10.0 109.982 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -44.41 -49.59 8.33 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.125 -1.59 . . . . 10.0 109.125 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.581 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 0.5 OUTLIER -41.17 -62.77 0.78 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.382 -1.069 . . . . 10.0 110.193 179.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.573 ' O ' ' HB2' ' B' ' 23' B LEU . 0.6 OUTLIER -50.44 -35.87 30.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.301 -0.875 . . . . 10.0 109.91 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.56 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 39.6 t -70.32 -24.49 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.894 . . . . 10.0 110.499 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.506 ' OE2' ' CZ ' ' B' ' 37' ' ' TYR . 0.6 OUTLIER -90.84 -64.8 1.08 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.116 -0.99 . . . . 10.0 110.106 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.52 HG23 ' CE2' ' B' ' 33' ' ' PHE . 10.4 t -45.14 -27.35 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.692 -0.63 . . . . 10.0 110.67 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.573 ' HB2' ' O ' ' B' ' 19' ' ' THR . 4.4 mp -88.38 -41.19 12.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.063 -1.023 . . . . 10.0 110.504 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.56 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.1 OUTLIER -71.13 0.92 6.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.051 -1.031 . . . . 10.0 110.596 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.692 ' O ' ' C ' ' B' ' 26' ' ' GLN . 17.1 pt20 -158.74 19.68 0.21 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.035 -1.041 . . . . 10.0 110.661 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.692 ' C ' ' O ' ' B' ' 25' ' ' GLN . 9.1 mt-30 1.72 89.3 0.03 OUTLIER Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.693 -0.629 . . . . 10.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.85 160.55 49.25 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 O-C-N 124.016 1.535 . . . . 10.0 110.68 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.39 -9.34 25.98 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 124.048 1.552 . . . . 10.0 110.623 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -167.79 139.52 3.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.193 -0.942 . . . . 10.0 110.214 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.3 OUTLIER -82.46 -63.58 1.35 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.19 -0.944 . . . . 10.0 110.236 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.531 ' C ' ' O ' ' B' ' 30' ' ' LEU . 10.7 t -33.75 -63.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.462 -0.774 . . . . 10.0 110.067 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -59.59 -42.27 92.19 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.589 -0.694 . . . . 10.0 110.089 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.52 ' CE2' HG23 ' B' ' 22' ' ' VAL . 76.3 t80 -64.14 -34.3 77.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.195 -0.941 . . . . 10.0 109.734 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.581 ' CB ' ' OH ' ' B' ' 18' ' ' TYR . . . -67.95 -39.15 83.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.397 -0.814 . . . . 10.0 109.767 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.626 HG23 ' OG1' ' A' ' 39' ' ' THR . 5.6 t -71.42 -42.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 10.0 110.08 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.508 ' O ' ' HD2' ' B' ' 40' ' ' ARG . 6.0 mm-40 -69.11 -54.94 12.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 10.0 110.5 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.506 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 39.9 t80 -55.61 -50.4 70.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.21 -0.931 . . . . 10.0 110.683 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' B' ' 34' ' ' ALA . 13.8 m-85 -69.73 -51.59 32.9 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.112 -0.992 . . . . 10.0 110.578 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.625 ' OG1' HG23 ' A' ' 35' ' ' VAL . 16.4 m -45.06 -36.36 3.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.957 -1.089 . . . . 10.0 109.716 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.508 ' HD2' ' O ' ' B' ' 36' ' ' GLU . 21.3 mtt180 -79.94 -38.12 33.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.262 -0.899 . . . . 10.0 110.249 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.4 tp -47.2 -32.94 4.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.233 -0.917 . . . . 10.0 110.073 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.453 ' CD ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.271 -0.893 . . . . 10.0 110.077 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.5 tp . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.232 0.539 . . . . 10.0 110.384 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 15' ' ' LEU . 10.4 m -48.23 -68.53 0.18 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.302 -0.874 . . . . 10.0 110.635 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.557 ' CG ' ' N ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -39.48 -47.38 1.84 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.464 -0.772 . . . . 10.0 110.612 -179.606 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.557 ' N ' ' CG ' ' A' ' 13' ' ' GLU . 50.4 mt -65.35 -30.47 71.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.133 -0.979 . . . . 10.0 110.193 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -74.36 -66.66 0.7 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.247 -0.908 . . . . 10.0 110.143 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -45.34 -33.7 2.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.285 -0.884 . . . . 10.0 110.102 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.54 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -72.58 -47.35 27.79 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.619 -1.393 . . . . 10.0 109.619 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.669 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -69.09 -43.49 74.4 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.099 -1.236 . . . . 10.0 109.623 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -59.64 -35.37 74.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.883 . . . . 10.0 109.72 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 16' ' ' GLN . 3.0 t -67.53 -27.65 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 10.0 109.855 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.669 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.5 mt-10 -76.18 -26.57 56.32 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.282 -0.886 . . . . 10.0 109.457 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.58 HG22 ' CE1' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -85.64 -40.67 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.521 -0.737 . . . . 10.0 110.076 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' A LEU . . . . . . . . . . . . . 1.6 mt -61.83 -38.51 88.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -0.903 . . . . 10.0 109.977 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -82.99 -51.14 7.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.33 -0.856 . . . . 10.0 110.171 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 7.1 mm100 -73.09 -30.59 63.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.203 -0.936 . . . . 10.0 110.247 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER 40.57 64.53 4.73 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 10.0 110.001 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.58 159.76 52.31 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 O-C-N 124.04 1.548 . . . . 10.0 110.684 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.23 -21.18 36.32 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 124.09 1.574 . . . . 10.0 110.352 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -137.69 120.29 16.13 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.862 . . . . 10.0 110.038 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.576 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -81.02 -66.28 0.91 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.19 -0.944 . . . . 10.0 110.23 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.576 ' C ' ' O ' ' A' ' 30' ' ' LEU . 10.1 t -27.98 -54.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 CA-C-O 121.77 0.795 . . . . 10.0 110.042 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.41 ' CG ' ' NH1' ' B' ' 42' ' ' ARG . 7.2 t0 -66.3 -48.08 71.52 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.756 -0.59 . . . . 10.0 109.967 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 30' ' ' LEU . 29.2 t80 -63.78 -44.43 93.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.187 -0.946 . . . . 10.0 109.698 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.28 -24.18 67.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 10.0 110.024 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.504 ' O ' ' HB ' ' A' ' 39' ' ' THR . 2.2 t -87.25 -48.04 15.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.23 -0.919 . . . . 10.0 109.632 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -55.83 -43.19 76.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 10.0 110.01 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 33.4 t80 -66.86 -56.78 8.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.194 -0.942 . . . . 10.0 110.08 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 2.2 m-85 -61.79 -60.67 3.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.403 -0.811 . . . . 10.0 110.214 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 12.5 m -43.08 -40.99 3.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.171 -0.956 . . . . 10.0 109.942 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 2.7 mtt180 -59.02 -41.46 87.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 10.0 109.944 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 37' ' ' TYR . 2.6 mp -57.48 -37.12 72.39 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -0.879 . . . . 10.0 109.993 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.0 -9.33 37.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.357 -0.839 . . . . 10.0 110.231 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.208 -0.933 . . . . 10.0 110.214 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.252 0.549 . . . . 10.0 110.393 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.489 ' O ' ' N ' ' B' ' 15' ' ' LEU . 10.8 m -48.92 -68.33 0.19 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.248 -0.907 . . . . 10.0 110.582 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.554 ' CG ' ' N ' ' B' ' 14' ' ' LEU . 0.5 OUTLIER -39.44 -47.26 1.79 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.429 -0.794 . . . . 10.0 110.56 -179.611 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.554 ' N ' ' CG ' ' B' ' 13' ' ' GLU . 51.8 mt -65.74 -30.88 71.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 10.0 110.141 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' B' ' 12' ' ' THR . 0.1 OUTLIER -73.39 -67.81 0.55 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 10.0 110.131 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.473 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.4 OUTLIER -44.43 -35.04 2.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.266 -0.896 . . . . 10.0 110.094 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -71.02 -47.81 36.2 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.619 -1.392 . . . . 10.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.675 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -69.04 -43.2 75.18 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.086 -1.243 . . . . 10.0 109.706 179.76 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -59.91 -35.09 74.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 10.0 109.733 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 16' ' ' GLN . 3.1 t -67.73 -27.75 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.296 -0.878 . . . . 10.0 109.799 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.675 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.4 mt-10 -76.01 -26.88 57.11 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.28 -0.887 . . . . 10.0 109.47 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.578 HG22 ' CE1' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -85.5 -40.55 14.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.499 -0.751 . . . . 10.0 110.09 -179.607 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 23' B LEU . . . . . . . . . . . . . 1.5 mt -61.75 -38.4 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.325 -0.859 . . . . 10.0 110.03 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -83.39 -50.88 7.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.337 -0.852 . . . . 10.0 110.174 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' B' ' 21' ' ' GLU . 7.5 mm100 -73.15 -30.44 63.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 10.0 110.193 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' B' ' 22' ' ' VAL . 0.6 OUTLIER 40.35 64.63 4.53 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.367 -0.833 . . . . 10.0 110.074 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.66 159.67 52.61 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 O-C-N 124.034 1.544 . . . . 10.0 110.665 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.26 -20.48 37.13 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.022 1.538 . . . . 10.0 110.336 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -138.17 120.4 15.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -0.908 . . . . 10.0 110.044 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.58 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.1 OUTLIER -81.27 -66.4 0.89 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.216 -0.928 . . . . 10.0 110.199 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.58 ' C ' ' O ' ' B' ' 30' ' ' LEU . 9.7 t -27.91 -54.24 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 CA-C-O 121.77 0.795 . . . . 10.0 110.005 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -66.07 -47.91 72.71 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.78 -0.575 . . . . 10.0 109.968 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' B' ' 30' ' ' LEU . 28.6 t80 -63.97 -44.39 92.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.158 -0.964 . . . . 10.0 109.622 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.38 -24.3 67.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.377 -0.827 . . . . 10.0 109.983 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.503 ' O ' ' HB ' ' B' ' 39' ' ' THR . 2.2 t -86.66 -48.23 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.262 -0.899 . . . . 10.0 109.652 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -55.83 -43.2 76.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.439 -0.788 . . . . 10.0 109.928 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.568 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 34.4 t80 -66.65 -57.4 7.27 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.893 . . . . 10.0 110.164 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 2.3 m-85 -61.28 -60.56 3.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 10.0 110.296 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 13.0 m -43.06 -41.01 3.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.144 -0.972 . . . . 10.0 109.941 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 2.4 mtt180 -59.28 -41.57 89.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.181 -0.949 . . . . 10.0 109.914 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' B' ' 37' ' ' TYR . 2.5 mp -57.43 -36.85 71.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.292 -0.88 . . . . 10.0 109.999 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.416 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.358 -0.839 . . . . 10.0 110.154 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.557 ' HG ' HD11 ' B' ' 30' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.253 0.549 . . . . 10.0 110.196 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.548 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 88.9 m -48.55 -43.94 36.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.283 -0.885 . . . . 10.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' LEU . 1.9 mm-40 -53.62 -78.44 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 10.0 110.564 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' GLU . 1.7 mp -40.12 -52.21 2.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.359 -0.838 . . . . 10.0 110.658 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -57.54 -59.74 4.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.194 -0.941 . . . . 10.0 110.625 -179.564 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.548 ' HB2' ' O ' ' A' ' 12' ' ' THR . 1.3 tt0 -38.98 -63.41 0.53 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.169 -0.957 . . . . 10.0 109.917 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.542 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.16 -51.59 8.77 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.736 -1.745 . . . . 10.0 108.736 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.567 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -42.04 -64.71 0.55 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.29 -1.124 . . . . 10.0 109.897 179.496 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.583 ' O ' ' HB2' ' A' ' 23' A LEU . 0.8 OUTLIER -48.69 -30.87 5.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 10.0 109.79 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.558 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 54.8 t -78.6 -26.2 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.27 -0.894 . . . . 10.0 110.163 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -89.75 -47.86 7.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.159 -0.963 . . . . 10.0 109.814 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 18' ' ' TYR . 2.8 t -65.5 -20.34 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.489 -0.757 . . . . 10.0 110.087 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 19' ' ' THR . 7.6 tt -85.18 -48.9 8.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.216 -0.928 . . . . 10.0 110.026 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 1.4 mtt-85 -68.82 -65.19 0.73 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 10.0 110.008 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -62.86 -30.8 71.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.231 -0.918 . . . . 10.0 110.168 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.479 ' C ' ' O ' ' A' ' 25' ' ' GLN . 1.7 mt-30 37.82 70.24 1.27 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.414 -0.804 . . . . 10.0 110.16 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.9 157.82 60.33 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 O-C-N 124.061 1.558 . . . . 10.0 110.639 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.458 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 42.5 Cg_endo -69.05 -20.89 37.57 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 124.036 1.545 . . . . 10.0 110.266 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.463 ' OD2' ' OD2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -145.11 121.12 10.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.351 -0.843 . . . . 10.0 109.817 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.609 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -69.81 -68.84 0.39 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.254 -0.904 . . . . 10.0 110.461 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.609 ' C ' ' O ' ' A' ' 30' ' ' LEU . 5.5 t -22.73 -66.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.596 -0.69 . . . . 10.0 110.458 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -53.26 -49.62 66.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.504 -0.747 . . . . 10.0 109.582 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.597 ' N ' ' O ' ' A' ' 30' ' ' LEU . 89.5 t80 -54.59 -37.12 65.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 10.0 109.621 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.567 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -63.07 -49.77 73.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 10.0 109.991 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.525 ' O ' ' HB ' ' A' ' 39' ' ' THR . 89.8 t -62.65 -21.45 27.52 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.318 -0.864 . . . . 10.0 110.237 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 3.6 mt-10 -85.22 -49.63 8.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.307 -0.871 . . . . 10.0 110.312 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.48 ' CD1' ' OE1' ' A' ' 21' ' ' GLU . 40.3 t80 -62.75 -53.69 50.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.319 -0.863 . . . . 10.0 110.407 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 9.6 m-85 -62.7 -52.49 63.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.291 -0.881 . . . . 10.0 110.423 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.535 ' N ' HG21 ' B' ' 35' ' ' VAL . 5.0 m -48.84 -55.36 11.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.112 -0.993 . . . . 10.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -55.21 -30.06 59.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.21 -0.931 . . . . 10.0 110.136 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -64.85 -53.22 50.23 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 10.0 109.935 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -13.95 62.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.191 -0.943 . . . . 10.0 109.905 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 1.2 tp10 . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.35 -0.844 . . . . 10.0 109.718 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.58 ' HG ' HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.275 0.559 . . . . 10.0 110.207 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.544 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 99.9 m -47.62 -44.81 27.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 10.0 110.255 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' B' ' 14' ' ' LEU . 1.8 mm-40 -52.48 -78.38 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.467 -0.771 . . . . 10.0 110.579 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' B' ' 13' ' ' GLU . 1.8 mp -40.38 -52.61 2.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.341 -0.849 . . . . 10.0 110.786 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' B' ' 16' ' ' GLN . 0.9 OUTLIER -57.33 -59.66 4.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.216 -0.928 . . . . 10.0 110.691 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' B' ' 12' ' ' THR . 1.4 tt0 -38.93 -63.53 0.52 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.118 -0.989 . . . . 10.0 109.87 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.0 -51.51 8.44 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.787 -1.725 . . . . 10.0 108.787 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.565 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 0.5 OUTLIER -42.19 -64.5 0.58 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.331 -1.1 . . . . 10.0 110.003 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' B' ' 23' B LEU . 0.8 OUTLIER -48.74 -30.97 6.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 10.0 109.812 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.555 ' O ' ' HG3' ' B' ' 24' ' ' ARG . 56.1 t -78.51 -26.03 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.239 -0.913 . . . . 10.0 110.193 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.9 OUTLIER -89.97 -48.0 7.49 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.16 -0.963 . . . . 10.0 109.79 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.476 HG21 ' O ' ' B' ' 18' ' ' TYR . 2.8 t -65.34 -20.24 27.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.587 -0.696 . . . . 10.0 110.113 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.581 ' HB2' ' O ' ' B' ' 19' ' ' THR . 7.6 tt -85.25 -48.91 8.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.371 -0.83 . . . . 10.0 109.947 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' B' ' 20' ' ' VAL . 1.4 mtt-85 -69.04 -65.3 0.72 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 10.0 110.089 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.482 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -62.36 -30.92 71.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.261 -0.899 . . . . 10.0 110.079 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' B' ' 25' ' ' GLN . 1.7 mt-30 37.73 70.08 1.29 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.417 -0.802 . . . . 10.0 110.058 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.89 158.1 59.21 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.059 1.557 . . . . 10.0 110.633 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.459 ' HG2' ' OD1' ' B' ' 29' ' ' ASP . 42.8 Cg_endo -69.08 -21.32 36.82 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 O-C-N 124.12 1.59 . . . . 10.0 110.221 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.464 ' OD2' ' OD2' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -144.62 121.65 11.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.446 -0.784 . . . . 10.0 109.775 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.605 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.1 OUTLIER -70.1 -68.6 0.41 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 10.0 110.509 -179.71 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.605 ' C ' ' O ' ' B' ' 30' ' ' LEU . 5.5 t -22.99 -66.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.602 -0.686 . . . . 10.0 110.546 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.479 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -53.09 -49.52 66.27 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.547 -0.721 . . . . 10.0 109.53 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.591 ' N ' ' O ' ' B' ' 30' ' ' LEU . 89.6 t80 -54.72 -37.17 65.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 10.0 109.672 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.565 ' CB ' ' OH ' ' B' ' 18' ' ' TYR . . . -63.03 -49.35 74.93 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.332 -0.855 . . . . 10.0 110.069 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.535 HG21 ' N ' ' A' ' 39' ' ' THR . 88.4 t -62.88 -21.52 28.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 O-C-N 121.391 -0.818 . . . . 10.0 110.223 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 3.6 mt-10 -85.3 -49.72 7.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.332 -0.855 . . . . 10.0 110.223 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.464 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 41.0 t80 -62.66 -53.67 51.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 10.0 110.331 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 10.2 m-85 -62.75 -52.96 61.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.261 -0.899 . . . . 10.0 110.462 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.526 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 5.0 m -48.18 -55.29 10.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.066 -1.021 . . . . 10.0 109.998 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -55.42 -30.59 60.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.241 -0.912 . . . . 10.0 110.13 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 0.8 OUTLIER -64.22 -52.83 56.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.139 -0.975 . . . . 10.0 109.933 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.182 -0.949 . . . . 10.0 109.9 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.189 0.519 . . . . 10.0 110.217 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -51.22 -32.95 25.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.92 . . . . 10.0 110.114 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' N ' HG21 ' A' ' 12' ' ' THR . 1.4 tm-20 -62.2 -55.36 29.31 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.343 -0.848 . . . . 10.0 110.089 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.445 HD12 ' CD2' ' B' ' 30' ' ' LEU . 8.2 mt -54.43 -58.23 8.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.268 -0.895 . . . . 10.0 110.132 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' GLN . 22.1 mt -51.68 -50.43 60.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 10.0 110.278 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -42.2 -58.08 2.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.166 -0.959 . . . . 10.0 109.916 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -44.6 -49.62 8.6 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.953 -1.659 . . . . 10.0 108.953 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.571 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -41.07 -63.28 0.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -1.076 . . . . 10.0 110.096 179.602 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.455 HG22 HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -48.83 -35.33 14.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.363 -0.836 . . . . 10.0 109.703 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.538 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 20.8 t -73.29 -25.47 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.386 -0.821 . . . . 10.0 110.038 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.541 ' HB2' ' HZ ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -90.96 -56.71 3.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.291 -0.881 . . . . 10.0 109.775 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.567 HG21 ' CE2' ' A' ' 33' ' ' PHE . 3.4 t -49.45 -27.87 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 C-N-CA 120.158 -0.617 . . . . 10.0 109.977 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' A LEU . . . . . . . . . . . . . 87.2 mt -88.3 -36.0 16.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.355 -0.841 . . . . 10.0 110.0 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -77.42 -48.31 17.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.27 -0.894 . . . . 10.0 110.131 179.722 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.504 ' O ' ' C ' ' A' ' 26' ' ' GLN . 9.7 mm100 -88.26 -22.58 23.85 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.255 -0.903 . . . . 10.0 110.47 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.504 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.2 mm100 36.47 72.67 0.76 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 10.0 109.835 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.59 ' HG3' ' CG ' ' A' ' 33' ' ' PHE . 43.3 Cg_endo -68.92 160.66 48.9 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 O-C-N 124.106 1.582 . . . . 10.0 110.992 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.57 -14.53 36.84 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 124.223 1.643 . . . . 10.0 110.438 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -160.62 119.65 2.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.319 -0.863 . . . . 10.0 110.182 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.526 ' O ' ' C ' ' A' ' 31' ' ' VAL . 11.5 tp -58.23 -61.32 2.65 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.251 -0.905 . . . . 10.0 110.366 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 30' ' ' LEU . 23.1 t -33.63 -69.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.371 -0.831 . . . . 10.0 110.11 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -53.34 -42.42 66.76 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.495 -0.753 . . . . 10.0 110.063 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.59 ' CG ' ' HG3' ' A' ' 27' ' ' PRO . 26.5 t80 -60.46 -40.28 90.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.917 . . . . 10.0 109.852 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.571 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -57.76 -37.78 74.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.352 -0.842 . . . . 10.0 110.216 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.606 HG21 ' CA ' ' B' ' 39' ' ' THR . 20.2 t -70.57 -48.48 58.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.315 -0.866 . . . . 10.0 110.31 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.1 mm-40 -54.1 -56.44 18.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.405 -0.809 . . . . 10.0 110.765 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.32 -58.68 7.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.986 . . . . 10.0 110.666 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.564 ' CG ' ' HB1' ' B' ' 34' ' ' ALA . 14.6 m-85 -60.04 -53.68 55.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.239 -0.913 . . . . 10.0 110.653 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.614 ' CA ' HG21 ' B' ' 35' ' ' VAL . 23.6 m -52.33 -37.31 55.58 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.063 -1.023 . . . . 10.0 110.329 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 5.9 mtp180 -79.47 -40.63 29.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.147 -0.971 . . . . 10.0 110.1 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.91 -29.27 3.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.198 -0.939 . . . . 10.0 110.126 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.519 ' HG2' HG11 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -66.43 -45.16 80.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 10.0 109.957 179.848 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' OE1' ' HA ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 10.0 110.224 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.187 0.518 . . . . 10.0 110.226 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 0.4 OUTLIER -51.61 -32.91 30.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.272 -0.893 . . . . 10.0 110.148 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.474 ' N ' HG21 ' B' ' 12' ' ' THR . 1.5 tm-20 -61.81 -55.23 32.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.875 . . . . 10.0 110.137 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.458 HD12 ' CD2' ' A' ' 30' ' ' LEU . 7.9 mt -54.52 -58.54 7.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.282 -0.886 . . . . 10.0 110.135 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' B' ' 16' ' ' GLN . 21.3 mt -51.36 -50.61 59.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.257 -0.902 . . . . 10.0 110.201 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.9 OUTLIER -42.14 -58.06 2.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 10.0 109.828 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.526 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -44.55 -49.89 8.45 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.899 -1.68 . . . . 10.0 108.899 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.577 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 0.6 OUTLIER -41.08 -63.34 0.69 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.411 -1.052 . . . . 10.0 110.153 179.673 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.458 HG22 HG23 ' B' ' 20' ' ' VAL . 0.5 OUTLIER -48.6 -35.48 13.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 10.0 109.661 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.538 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 20.8 t -73.1 -25.77 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.433 -0.792 . . . . 10.0 110.122 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.538 ' HB2' ' HZ ' ' B' ' 33' ' ' PHE . 0.6 OUTLIER -90.59 -56.92 3.01 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.27 -0.894 . . . . 10.0 109.807 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.564 HG21 ' CE2' ' B' ' 33' ' ' PHE . 3.4 t -49.23 -27.94 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.607 -0.683 . . . . 10.0 109.993 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' B LEU . . . . . . . . . . . . . 86.1 mt -88.31 -35.96 16.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.293 -0.879 . . . . 10.0 110.004 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -77.61 -48.31 17.19 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.3 -0.875 . . . . 10.0 110.07 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.507 ' O ' ' C ' ' B' ' 26' ' ' GLN . 9.7 mm100 -88.11 -22.67 23.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 10.0 110.394 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' B' ' 25' ' ' GLN . 5.0 mm100 36.6 72.89 0.74 Allowed Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.332 -0.855 . . . . 10.0 109.915 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.596 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 42.9 Cg_endo -69.07 160.37 50.17 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 O-C-N 124.013 1.533 . . . . 10.0 110.909 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.42 -14.45 37.19 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 O-C-N 124.085 1.571 . . . . 10.0 110.414 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -160.84 119.54 2.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.442 -0.786 . . . . 10.0 110.067 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.527 ' O ' ' C ' ' B' ' 31' ' ' VAL . 11.9 tp -58.29 -61.16 2.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.283 -0.885 . . . . 10.0 110.294 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.527 ' C ' ' O ' ' B' ' 30' ' ' LEU . 23.3 t -33.53 -69.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.45 -0.781 . . . . 10.0 110.164 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -53.73 -42.62 68.31 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.583 -0.698 . . . . 10.0 110.072 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.596 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 26.4 t80 -60.12 -40.78 90.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 10.0 109.778 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.577 ' CB ' ' OH ' ' B' ' 18' ' ' TYR . . . -57.07 -37.8 72.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.366 -0.834 . . . . 10.0 110.128 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.614 HG21 ' CA ' ' A' ' 39' ' ' THR . 23.8 t -70.58 -48.97 55.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.278 -0.889 . . . . 10.0 110.366 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 1.2 mm-40 -53.58 -56.69 14.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.373 -0.83 . . . . 10.0 110.679 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.85 -58.81 6.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.206 -0.934 . . . . 10.0 110.654 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.554 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 15.3 m-85 -60.4 -53.2 60.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 10.0 110.697 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.606 ' CA ' HG21 ' A' ' 35' ' ' VAL . 24.3 m -52.8 -36.65 58.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.03 -1.044 . . . . 10.0 110.303 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 5.8 mtp180 -80.2 -40.66 26.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.186 -0.946 . . . . 10.0 110.097 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.23 -31.75 3.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.192 -0.942 . . . . 10.0 110.133 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.502 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.228 -0.92 . . . . 10.0 110.069 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.428 HD11 ' C ' ' A' ' 11' ' ' LEU . 2.9 tm? . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.185 0.517 . . . . 10.0 110.563 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 13' ' ' GLU . 42.7 m -55.19 -73.47 0.05 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.237 -0.914 . . . . 10.0 110.506 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 14' ' ' LEU . 1.3 tt0 -38.88 -46.84 1.35 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.441 -0.787 . . . . 10.0 110.509 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' N ' ' HG2' ' A' ' 13' ' ' GLU . 6.3 tp -58.1 -66.59 0.46 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.086 -1.009 . . . . 10.0 110.434 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 16' ' ' GLN . 3.7 mp -45.5 -54.6 7.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.143 -0.973 . . . . 10.0 110.172 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -40.4 -55.85 2.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 10.0 109.815 179.673 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.558 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.46 -57.09 5.98 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 108.979 -1.648 . . . . 10.0 108.979 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.549 ' OH ' ' CA ' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -37.71 -63.97 0.42 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.407 -1.054 . . . . 10.0 110.285 179.776 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 23' A LEU . 0.6 OUTLIER -52.29 -33.11 40.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -0.932 . . . . 10.0 109.376 179.733 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.583 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 46.4 t -75.74 -23.38 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.509 -0.745 . . . . 10.0 110.29 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.558 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -94.03 -61.25 1.57 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.037 -1.039 . . . . 10.0 109.655 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.495 HG21 ' CE2' ' A' ' 33' ' ' PHE . 8.5 t -47.6 -33.15 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.564 -0.71 . . . . 10.0 110.348 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 19' ' ' THR . 41.4 mt -86.38 -40.05 15.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.222 -0.924 . . . . 10.0 110.344 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.583 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -85.64 13.81 6.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.107 -0.996 . . . . 10.0 110.457 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' A' ' 26' ' ' GLN . 4.9 pt20 -165.1 20.68 0.05 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.105 -0.997 . . . . 10.0 110.611 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -3.35 91.08 0.03 OUTLIER Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.555 -0.716 . . . . 10.0 111.107 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.78 170.19 15.93 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 124.069 1.562 . . . . 10.0 110.84 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.02 -33.57 19.08 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 O-C-N 124.146 1.603 . . . . 10.0 110.584 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.664 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -142.15 150.38 41.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.365 -0.834 . . . . 10.0 109.844 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 31' ' ' VAL . 1.6 tm? -90.62 -70.41 0.68 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.152 -0.967 . . . . 10.0 110.273 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.529 ' C ' ' O ' ' A' ' 30' ' ' LEU . 16.6 t -34.95 -65.39 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.387 -0.821 . . . . 10.0 109.915 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.69 -38.23 64.02 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.61 -0.681 . . . . 10.0 109.97 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.664 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 82.7 t80 -64.01 -38.68 91.94 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.147 -0.971 . . . . 10.0 109.814 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 38' ' ' PHE . . . -65.57 -23.87 66.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 10.0 109.826 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.66 HG21 ' CA ' ' B' ' 39' ' ' THR . 3.0 t -89.68 -50.64 12.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.364 -0.835 . . . . 10.0 110.184 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -57.43 -35.13 69.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 10.0 109.851 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 22.7 t80 -73.83 -58.56 3.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 10.0 110.259 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 21.7 m-85 -65.27 -41.82 93.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 10.0 110.305 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.693 ' CA ' HG21 ' B' ' 35' ' ' VAL . 51.6 m -52.3 -41.85 63.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.067 -1.021 . . . . 10.0 110.061 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 14.2 mtm180 -71.74 -39.48 70.03 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.204 -0.935 . . . . 10.0 109.872 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.39 -43.71 44.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.317 -0.864 . . . . 10.0 110.092 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HG2' HG11 ' B' ' 31' ' ' VAL . 16.3 mmm-85 -51.62 -28.85 15.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.2 -0.938 . . . . 10.0 110.153 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.284 -0.885 . . . . 10.0 110.599 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.43 ' C ' HD11 ' B' ' 11' ' ' LEU . 2.9 tm? . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.183 0.516 . . . . 10.0 110.599 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.436 ' O ' ' C ' ' B' ' 13' ' ' GLU . 50.3 m -53.71 -73.53 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.265 -0.897 . . . . 10.0 110.498 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' B' ' 14' ' ' LEU . 1.3 tt0 -38.95 -46.83 1.37 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.502 -0.749 . . . . 10.0 110.625 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.468 ' N ' ' HG2' ' B' ' 13' ' ' GLU . 6.5 tp -58.28 -66.06 0.55 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.107 -0.996 . . . . 10.0 110.407 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' B' ' 16' ' ' GLN . 3.9 mp -45.89 -54.32 8.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.164 -0.96 . . . . 10.0 110.164 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -40.55 -55.59 2.28 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 10.0 109.811 179.73 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.557 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.55 -57.42 5.86 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.869 -1.693 . . . . 10.0 108.869 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.558 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 0.7 OUTLIER -37.19 -64.13 0.39 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.469 -1.018 . . . . 10.0 110.364 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' B' ' 23' B LEU . 0.6 OUTLIER -52.45 -33.45 44.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.168 -0.957 . . . . 10.0 109.385 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.58 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 45.0 t -75.26 -23.59 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.48 -0.762 . . . . 10.0 110.289 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.557 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.2 OUTLIER -94.02 -62.23 1.38 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.073 -1.017 . . . . 10.0 109.673 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.514 HG21 ' CE2' ' B' ' 33' ' ' PHE . 10.0 t -46.72 -33.12 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.596 -0.69 . . . . 10.0 110.352 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.499 ' HB2' ' O ' ' B' ' 19' ' ' THR . 41.8 mt -86.41 -40.07 15.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.12 -0.988 . . . . 10.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.58 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -85.51 13.94 6.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.207 -0.933 . . . . 10.0 110.477 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' B' ' 26' ' ' GLN . 5.1 pt20 -165.29 20.84 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.125 -0.985 . . . . 10.0 110.589 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER -3.71 91.19 0.03 OUTLIER Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 121.597 -0.689 . . . . 10.0 111.092 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.88 170.23 15.98 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 124.054 1.555 . . . . 10.0 110.792 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.26 -32.64 20.21 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 O-C-N 124.065 1.56 . . . . 10.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.666 ' O ' ' HB2' ' B' ' 33' ' ' PHE . 0.5 OUTLIER -142.87 150.2 39.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 10.0 109.867 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.525 ' O ' ' C ' ' B' ' 31' ' ' VAL . 1.7 tm? -90.66 -70.11 0.69 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.054 -1.029 . . . . 10.0 110.301 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.525 ' C ' ' O ' ' B' ' 30' ' ' LEU . 15.5 t -35.1 -65.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.401 -0.812 . . . . 10.0 109.981 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -54.15 -38.28 65.33 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.596 -0.69 . . . . 10.0 109.997 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.666 ' HB2' ' O ' ' B' ' 29' ' ' ASP . 82.6 t80 -63.96 -39.0 93.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.278 -0.889 . . . . 10.0 109.749 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.597 ' O ' ' CD2' ' B' ' 38' ' ' PHE . . . -64.79 -23.99 67.41 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.362 -0.836 . . . . 10.0 109.792 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.693 HG21 ' CA ' ' A' ' 39' ' ' THR . 3.3 t -90.1 -51.3 12.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.348 -0.845 . . . . 10.0 110.324 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -56.63 -34.54 67.37 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.258 -0.901 . . . . 10.0 109.826 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.481 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 22.4 t80 -74.51 -59.06 2.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.199 -0.938 . . . . 10.0 110.209 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 21.6 m-85 -64.89 -42.08 95.07 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.174 -0.954 . . . . 10.0 110.368 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.66 ' CA ' HG21 ' A' ' 35' ' ' VAL . 55.0 m -52.39 -41.92 63.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.165 -0.959 . . . . 10.0 110.058 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' B' ' 36' ' ' GLU . 13.3 mtm180 -71.45 -39.47 70.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.23 -0.918 . . . . 10.0 109.786 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.55 -42.82 45.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.291 -0.881 . . . . 10.0 110.11 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.425 ' HG2' HG11 ' A' ' 31' ' ' VAL . 14.9 mmm-85 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.937 . . . . 10.0 110.203 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.4 tp . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.193 0.521 . . . . 10.0 110.267 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.478 ' CG2' ' OE1' ' A' ' 16' ' ' GLN . 3.4 m -61.25 -64.01 1.09 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.27 -0.894 . . . . 10.0 110.392 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.7 tp10 -39.09 -55.79 1.55 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.508 -0.745 . . . . 10.0 110.387 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.7 -68.51 0.19 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.207 -0.933 . . . . 10.0 110.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.482 ' HG ' ' HG ' ' B' ' 15' ' ' LEU . 7.6 mp -59.15 -55.54 33.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.904 . . . . 10.0 110.417 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.478 ' OE1' ' CG2' ' A' ' 12' ' ' THR . 1.9 tt0 -40.77 -55.48 2.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.316 -0.865 . . . . 10.0 109.905 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -45.62 -53.69 8.23 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.071 -1.612 . . . . 10.0 109.071 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.544 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -39.84 -62.29 0.73 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.418 -1.048 . . . . 10.0 110.312 179.741 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -49.64 -32.21 12.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.931 . . . . 10.0 109.748 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.548 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 41.4 t -76.91 -22.65 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.424 -0.797 . . . . 10.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.502 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -95.12 -54.79 3.3 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.069 -1.019 . . . . 10.0 109.699 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.472 HG21 ' O ' ' A' ' 18' ' ' TYR . 4.5 t -53.93 -29.54 18.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.598 -0.689 . . . . 10.0 110.115 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 19' ' ' THR . 43.5 mt -90.05 -37.51 14.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.249 -0.907 . . . . 10.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 0.4 OUTLIER -83.86 38.17 0.63 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.193 -0.942 . . . . 10.0 110.167 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HG3' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER 177.29 -28.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 10.0 109.813 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.549 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 40.21 86.85 0.12 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.347 -0.845 . . . . 10.0 110.586 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -71.58 165.26 33.06 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 O-C-N 123.833 1.438 . . . . 10.0 110.354 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.93 -22.78 35.51 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 123.929 1.489 . . . . 10.0 110.043 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.492 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 45.3 m-20 -151.11 118.26 5.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.467 -0.771 . . . . 10.0 109.652 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -65.32 -62.06 1.75 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.161 -0.962 . . . . 10.0 110.498 -179.644 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.3 t -33.32 -67.16 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.527 -0.733 . . . . 10.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.565 ' HB2' ' CZ ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -53.33 -36.7 61.59 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.527 -0.733 . . . . 10.0 109.947 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 92.9 t80 -66.88 -35.93 81.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.23 -0.919 . . . . 10.0 109.705 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.544 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -63.84 -33.67 76.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.434 -0.791 . . . . 10.0 110.032 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.576 ' O ' ' HB ' ' A' ' 39' ' ' THR . 12.0 t -76.65 -42.64 34.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 O-C-N 121.337 -0.852 . . . . 10.0 109.748 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.586 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 7.8 mt-10 -64.58 -37.9 89.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 10.0 110.549 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -65.38 -60.98 2.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.037 -1.039 . . . . 10.0 110.765 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.501 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 38.1 m-85 -65.25 -58.43 5.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.249 -0.907 . . . . 10.0 110.9 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 11.5 m -40.83 -41.31 1.55 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.066 -1.021 . . . . 10.0 110.173 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -70.09 -43.22 71.55 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.082 -1.011 . . . . 10.0 109.87 179.705 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 9.7 mt -44.62 -38.46 4.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.287 -0.883 . . . . 10.0 109.745 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.528 ' CZ ' ' HB2' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -59.7 -32.47 70.54 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.276 -0.89 . . . . 10.0 109.7 179.575 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' ARG . 12.1 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.404 -0.81 . . . . 10.0 110.163 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 21.6 tp . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.193 0.52 . . . . 10.0 110.294 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.491 ' CG2' ' OE1' ' B' ' 16' ' ' GLN . 3.3 m -61.23 -64.18 1.04 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.339 -0.85 . . . . 10.0 110.376 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.8 tp10 -38.88 -55.99 1.44 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.642 -0.661 . . . . 10.0 110.426 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.57 -68.67 0.18 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 10.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.482 ' HG ' ' HG ' ' A' ' 15' ' ' LEU . 7.9 mp -59.11 -55.29 36.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 10.0 110.453 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.491 ' OE1' ' CG2' ' B' ' 12' ' ' THR . 1.9 tt0 -40.9 -55.45 2.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.171 -0.956 . . . . 10.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 20' ' ' VAL . . . -45.85 -53.78 8.5 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.082 -1.607 . . . . 10.0 109.082 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.543 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 0.9 OUTLIER -39.57 -62.24 0.71 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.442 -1.034 . . . . 10.0 110.311 179.704 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -49.69 -32.12 12.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.284 -0.885 . . . . 10.0 109.835 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.548 ' O ' ' HG3' ' B' ' 24' ' ' ARG . 40.7 t -77.07 -22.7 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 10.0 110.241 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.503 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.2 OUTLIER -94.95 -54.67 3.37 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.981 -1.074 . . . . 10.0 109.754 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.47 HG21 ' O ' ' B' ' 18' ' ' TYR . 4.5 t -54.07 -29.62 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.664 -0.647 . . . . 10.0 110.091 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.473 ' HB2' ' O ' ' B' ' 19' ' ' THR . 43.4 mt -89.98 -37.22 14.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.165 -0.959 . . . . 10.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' B' ' 20' ' ' VAL . 0.4 OUTLIER -83.91 37.43 0.6 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.098 -1.001 . . . . 10.0 110.256 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.555 ' HG3' ' N ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER 178.02 -28.68 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.324 -0.86 . . . . 10.0 109.856 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.555 ' N ' ' HG3' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 40.37 86.51 0.13 Allowed Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.341 -0.849 . . . . 10.0 110.665 179.614 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.38 165.32 32.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 O-C-N 123.948 1.499 . . . . 10.0 110.276 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.23 -22.99 33.71 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 O-C-N 123.899 1.473 . . . . 10.0 110.039 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.48 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 45.0 m-20 -150.91 117.97 5.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.387 -0.821 . . . . 10.0 109.737 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.536 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.2 OUTLIER -65.08 -62.44 1.55 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 10.0 110.354 -179.524 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.536 ' C ' ' O ' ' B' ' 30' ' ' LEU . 18.0 t -33.02 -67.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.452 -0.78 . . . . 10.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -52.82 -36.87 59.24 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.527 -0.733 . . . . 10.0 109.894 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' B' ' 30' ' ' LEU . 92.5 t80 -66.87 -35.99 81.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.323 -0.86 . . . . 10.0 109.701 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.543 ' CB ' ' OH ' ' B' ' 18' ' ' TYR . . . -63.52 -33.83 76.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.379 -0.826 . . . . 10.0 109.945 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.574 ' O ' ' HB ' ' B' ' 39' ' ' THR . 13.3 t -77.01 -42.68 32.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.34 -0.85 . . . . 10.0 109.616 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 7.2 mt-10 -64.19 -38.28 90.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 10.0 110.478 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -65.01 -60.88 2.55 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.021 -1.049 . . . . 10.0 110.829 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.507 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 39.2 m-85 -65.35 -58.52 5.7 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.154 -0.966 . . . . 10.0 110.821 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.574 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 8.5 m -40.79 -41.45 1.57 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.968 -1.083 . . . . 10.0 110.087 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.584 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -70.04 -43.53 71.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 10.0 109.833 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 9.3 mt -44.25 -38.47 3.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 10.0 109.681 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.91 . . . . 10.0 109.777 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.274 0.559 . . . . 10.0 110.038 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 1.3 m -53.27 -25.19 13.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.907 . . . . 10.0 110.237 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -75.84 -63.07 1.39 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 10.0 110.355 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.471 HD21 HD22 ' B' ' 30' ' ' LEU . 0.6 OUTLIER -46.26 -51.21 14.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.163 -0.961 . . . . 10.0 110.334 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' N ' HD23 ' A' ' 15' ' ' LEU . 5.7 mt -60.43 -51.59 68.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.169 -0.957 . . . . 10.0 110.098 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.505 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -42.94 -50.6 5.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.212 -0.93 . . . . 10.0 109.727 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -53.08 -59.65 9.16 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.156 -1.578 . . . . 10.0 109.156 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.537 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -40.02 -58.59 1.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.384 -1.068 . . . . 10.0 110.105 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.99 -41.1 46.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.859 . . . . 10.0 109.618 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.53 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 49.6 t -70.41 -27.81 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.358 -0.839 . . . . 10.0 110.217 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -88.34 -67.81 0.81 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.119 -0.988 . . . . 10.0 109.538 179.594 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.503 ' CA ' ' OE1' ' A' ' 25' ' ' GLN . 6.2 t -41.55 -25.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.615 -0.678 . . . . 10.0 110.09 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' GLU . 3.5 tp -89.97 -32.78 16.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.273 -0.892 . . . . 10.0 110.466 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -87.89 11.96 14.37 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.185 -0.947 . . . . 10.0 110.806 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.659 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -168.54 44.15 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.941 -1.099 . . . . 10.0 110.606 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.659 ' C ' ' O ' ' A' ' 25' ' ' GLN . 4.4 mm-40 -14.17 94.69 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.643 -0.661 . . . . 10.0 110.904 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.595 ' HD3' ' OE1' ' A' ' 25' ' ' GLN . 46.3 Cg_endo -70.9 147.32 55.29 Favored 'Trans proline' 0 C--N 1.301 -1.935 0 O-C-N 124.471 1.774 . . . . 10.0 110.856 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.06 -20.29 33.63 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 123.995 1.524 . . . . 10.0 109.989 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 29' ' ' ASP . 4.5 p30 -160.05 116.69 2.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.375 -0.828 . . . . 10.0 109.99 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.62 ' O ' ' C ' ' A' ' 31' ' ' VAL . 6.3 tp -64.66 -66.24 0.57 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.239 -0.913 . . . . 10.0 110.28 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.62 ' C ' ' O ' ' A' ' 30' ' ' LEU . 10.0 t -25.37 -62.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 CA-C-O 121.572 0.701 . . . . 10.0 110.25 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.93 -53.03 62.67 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.663 -0.648 . . . . 10.0 109.646 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -52.24 -65.69 0.51 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.139 -0.976 . . . . 10.0 108.854 178.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.537 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -43.39 -32.01 0.77 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.464 -0.772 . . . . 10.0 109.99 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.548 ' O ' ' HB ' ' A' ' 39' ' ' THR . 2.4 t -83.18 -55.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 O-C-N 121.122 -0.986 . . . . 10.0 110.07 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -36.84 68.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.285 -0.885 . . . . 10.0 110.007 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.473 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 70.4 t80 -72.63 -64.22 1.0 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.186 -0.946 . . . . 10.0 110.459 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.436 ' CE1' HD23 ' A' ' 14' ' ' LEU . 11.1 m-85 -56.94 -55.69 31.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.238 -0.914 . . . . 10.0 110.442 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.549 ' CA ' HG21 ' B' ' 35' ' ' VAL . 18.8 m -48.02 -53.38 16.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.0 -1.063 . . . . 10.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -63.43 -23.45 67.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.261 -0.899 . . . . 10.0 110.016 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -30.8 62.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.844 . . . . 10.0 110.068 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.462 ' HG2' HG11 ' B' ' 31' ' ' VAL . 0.9 OUTLIER -59.84 -18.07 41.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.265 -0.897 . . . . 10.0 110.138 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.271 -0.893 . . . . 10.0 110.242 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.353 0.597 . . . . 10.0 110.094 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.504 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 1.4 m -53.91 -24.79 17.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 10.0 110.247 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -76.35 -62.14 1.72 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.244 -0.91 . . . . 10.0 110.313 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.456 HD21 HD22 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -47.1 -50.37 20.15 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.216 -0.928 . . . . 10.0 110.352 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.446 HD23 ' N ' ' B' ' 15' ' ' LEU . 5.6 mt -61.23 -51.71 67.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 10.0 110.168 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -42.84 -50.29 5.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.281 -0.887 . . . . 10.0 109.77 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.523 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -53.38 -59.86 9.01 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.144 -1.583 . . . . 10.0 109.144 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.541 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 0.4 OUTLIER -39.93 -58.58 1.37 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.408 -1.054 . . . . 10.0 110.057 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.07 -41.05 47.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.237 -0.914 . . . . 10.0 109.651 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.529 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 49.1 t -70.41 -27.69 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.392 -0.818 . . . . 10.0 110.171 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.8 OUTLIER -88.45 -67.99 0.8 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.193 -0.942 . . . . 10.0 109.478 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.5 ' CA ' ' OE1' ' B' ' 25' ' ' GLN . 5.9 t -41.41 -25.44 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.637 -0.664 . . . . 10.0 110.15 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.479 ' N ' ' O ' ' B' ' 21' ' ' GLU . 3.3 tp -90.24 -32.76 16.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 10.0 110.369 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -87.55 11.77 14.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.101 -0.999 . . . . 10.0 110.817 -179.571 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.663 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -168.38 44.0 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.072 -1.017 . . . . 10.0 110.641 179.622 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.663 ' C ' ' O ' ' B' ' 25' ' ' GLN . 4.5 mm-40 -14.19 94.78 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.948 0 O-C-N 121.606 -0.684 . . . . 10.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.596 ' HD3' ' OE1' ' B' ' 25' ' ' GLN . 46.0 Cg_endo -70.78 147.45 56.33 Favored 'Trans proline' 0 C--N 1.3 -1.984 0 O-C-N 124.474 1.776 . . . . 10.0 110.916 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.1 -20.12 33.66 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.031 1.543 . . . . 10.0 110.003 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' B' ' 29' ' ' ASP . 4.7 p30 -160.35 116.49 2.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.455 -0.778 . . . . 10.0 110.012 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.617 ' O ' ' C ' ' B' ' 31' ' ' VAL . 6.4 tp -64.29 -66.29 0.56 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.23 -0.919 . . . . 10.0 110.437 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.617 ' C ' ' O ' ' B' ' 30' ' ' LEU . 10.0 t -25.16 -63.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.521 -0.737 . . . . 10.0 110.253 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -53.17 61.06 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.686 -0.634 . . . . 10.0 109.563 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' B' ' 30' ' ' LEU . 0.8 OUTLIER -52.04 -65.81 0.49 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.2 -0.938 . . . . 10.0 108.86 178.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.541 ' CB ' ' OH ' ' B' ' 18' ' ' TYR . . . -43.21 -31.91 0.67 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 10.0 110.047 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.549 HG21 ' CA ' ' A' ' 39' ' ' THR . 2.4 t -83.39 -55.82 6.69 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 O-C-N 121.164 -0.96 . . . . 10.0 110.063 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -36.21 67.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.281 -0.887 . . . . 10.0 110.077 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.467 ' HB2' ' CE1' ' B' ' 33' ' ' PHE . 70.3 t80 -73.25 -64.0 1.07 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.286 -0.884 . . . . 10.0 110.403 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.435 ' CE1' HD23 ' B' ' 14' ' ' LEU . 11.1 m-85 -57.32 -55.29 36.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 10.0 110.473 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.545 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 18.8 m -48.33 -53.07 18.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.986 -1.071 . . . . 10.0 110.038 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -64.05 -23.3 67.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 10.0 110.024 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.9 -29.77 62.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.35 -0.844 . . . . 10.0 110.047 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.467 ' HG3' HG13 ' A' ' 31' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 10.0 110.187 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.453 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.28 0.562 . . . . 10.0 110.022 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 4.7 m -69.19 -25.7 64.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.864 . . . . 10.0 110.281 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -75.72 -43.12 48.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 10.0 110.305 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.28 -45.67 92.24 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.289 -0.882 . . . . 10.0 110.377 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.467 ' HG ' ' HG ' ' B' ' 15' ' ' LEU . 4.9 mp -66.31 -60.53 2.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.868 . . . . 10.0 110.616 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -38.28 -66.16 0.29 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.189 -0.944 . . . . 10.0 110.102 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.535 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.96 -46.54 14.55 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.985 -1.646 . . . . 10.0 108.985 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.733 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -43.87 -62.21 1.19 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.378 -1.072 . . . . 10.0 110.181 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.523 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -51.18 -32.42 23.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.374 -0.829 . . . . 10.0 110.103 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.43 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 16.3 t -74.55 -22.18 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.184 -0.947 . . . . 10.0 110.4 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.7 OUTLIER -91.64 -56.55 3.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.071 -1.018 . . . . 10.0 109.637 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.576 HG23 ' CE2' ' A' ' 33' ' ' PHE . 3.5 t -51.17 -28.8 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.649 -0.657 . . . . 10.0 110.174 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 19' ' ' THR . 2.7 mt -89.17 -33.91 16.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 10.0 109.924 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 3.3 tpt180 -73.36 -68.8 0.47 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 10.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.512 ' HG3' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -77.64 -26.26 50.33 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.183 -0.948 . . . . 10.0 110.24 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.518 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 42.91 74.73 0.72 Allowed Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.178 -0.952 . . . . 10.0 110.155 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HD3' ' HG3' ' A' ' 25' ' ' GLN . 44.6 Cg_endo -70.67 170.49 17.54 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 124.116 1.588 . . . . 10.0 110.564 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 43.2 Cg_endo -69.66 -49.41 0.58 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 124.046 1.55 . . . . 10.0 110.549 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -119.41 147.06 44.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.235 -0.916 . . . . 10.0 110.182 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -85.38 -47.59 9.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.293 -0.879 . . . . 10.0 109.901 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.448 HG13 ' HB3' ' B' ' 41' ' ' LEU . 12.7 t -43.51 -68.96 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 10.0 109.723 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -49.69 -36.2 24.31 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.518 -0.739 . . . . 10.0 109.909 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.733 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 17.2 t80 -66.72 -43.52 84.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.933 . . . . 10.0 109.591 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.575 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -60.25 -30.88 69.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.425 -0.797 . . . . 10.0 109.821 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.656 ' O ' ' HB ' ' A' ' 39' ' ' THR . 24.2 t -83.69 -31.27 8.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 121.332 -0.855 . . . . 10.0 110.274 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -77.26 -36.11 54.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.291 -0.88 . . . . 10.0 110.427 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.503 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 52.3 t80 -73.39 -58.17 3.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.17 -0.956 . . . . 10.0 110.599 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.455 ' CB ' HG23 ' B' ' 35' ' ' VAL . 20.9 m-85 -61.34 -52.79 63.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.175 -0.953 . . . . 10.0 110.522 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.656 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 3.8 m -48.63 -53.33 19.01 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.993 -1.067 . . . . 10.0 109.528 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 43' ' ' GLU . 67.6 ttt180 -57.72 -25.8 60.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.82 . . . . 10.0 109.826 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -40.59 94.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 10.0 109.765 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.405 ' NH1' ' CG ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -53.5 -25.15 15.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.335 -0.853 . . . . 10.0 110.273 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.499 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.242 -0.911 . . . . 10.0 109.895 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.453 HD12 ' O ' ' B' ' 11' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.295 0.569 . . . . 10.0 110.032 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 4.7 m -69.44 -26.05 64.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.26 -0.9 . . . . 10.0 110.3 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -75.54 -43.5 48.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.913 . . . . 10.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.82 -46.2 90.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.22 -0.925 . . . . 10.0 110.394 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.467 ' HG ' ' HG ' ' A' ' 15' ' ' LEU . 4.9 mp -65.87 -60.48 2.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.272 -0.892 . . . . 10.0 110.571 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.486 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -38.12 -66.36 0.27 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.312 -0.868 . . . . 10.0 110.135 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.96 -46.72 14.65 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.977 -1.649 . . . . 10.0 108.977 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.723 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 0.4 OUTLIER -43.57 -62.08 1.19 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.411 -1.053 . . . . 10.0 110.159 179.704 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.525 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -51.38 -32.37 25.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.41 -0.806 . . . . 10.0 110.015 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.422 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 16.5 t -74.75 -22.29 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.908 . . . . 10.0 110.437 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.7 OUTLIER -91.4 -56.54 3.09 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.197 -0.94 . . . . 10.0 109.688 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.575 HG23 ' CE2' ' B' ' 33' ' ' PHE . 3.4 t -51.14 -29.07 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.594 -0.691 . . . . 10.0 110.175 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.525 ' HB2' ' O ' ' B' ' 19' ' ' THR . 2.8 mt -88.93 -33.69 17.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.102 -0.999 . . . . 10.0 109.926 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 3.4 tpt180 -73.56 -68.52 0.5 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.354 -0.841 . . . . 10.0 110.32 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.504 ' HG3' ' HD3' ' B' ' 27' ' ' PRO . 0.0 OUTLIER -77.85 -26.29 49.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.183 -0.948 . . . . 10.0 110.155 -179.774 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.517 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 42.99 74.68 0.74 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.178 -0.951 . . . . 10.0 110.241 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.504 ' HD3' ' HG3' ' B' ' 25' ' ' GLN . 45.0 Cg_endo -70.67 170.2 18.24 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 O-C-N 124.118 1.588 . . . . 10.0 110.522 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.41 ' HB2' ' OD1' ' B' ' 29' ' ' ASP . 43.0 Cg_endo -69.64 -49.18 0.6 Allowed 'Trans proline' 0 C--N 1.304 -1.776 0 O-C-N 124.05 1.552 . . . . 10.0 110.631 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.41 ' OD1' ' HB2' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -119.57 146.79 45.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.253 -0.904 . . . . 10.0 110.188 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 0.4 OUTLIER -85.19 -47.48 10.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.335 -0.853 . . . . 10.0 109.966 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' B' ' 30' ' ' LEU . 12.4 t -43.6 -69.0 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.204 -0.935 . . . . 10.0 109.743 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -49.71 -36.03 23.97 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.618 -0.676 . . . . 10.0 109.885 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.723 ' CE2' ' CE1' ' B' ' 18' ' ' TYR . 17.2 t80 -66.89 -42.79 84.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 10.0 109.581 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.563 ' CB ' ' OH ' ' B' ' 18' ' ' TYR . . . -61.11 -30.99 70.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.391 -0.818 . . . . 10.0 109.859 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.652 ' O ' ' HB ' ' B' ' 39' ' ' THR . 22.3 t -83.6 -29.9 7.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.381 -0.824 . . . . 10.0 110.249 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.516 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -78.8 -35.61 44.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.321 -0.862 . . . . 10.0 110.461 -179.667 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.516 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 51.1 t80 -74.04 -57.3 4.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.199 -0.938 . . . . 10.0 110.556 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.478 ' CG ' ' HB3' ' A' ' 34' ' ' ALA . 21.2 m-85 -62.34 -50.98 69.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.167 -0.958 . . . . 10.0 110.448 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.652 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 3.6 m -49.69 -53.17 26.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.929 -1.107 . . . . 10.0 109.494 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -58.15 -25.15 61.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.466 -0.771 . . . . 10.0 109.886 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.448 ' HB3' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -61.9 -41.24 97.67 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.245 -0.91 . . . . 10.0 109.772 179.688 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.33 -0.856 . . . . 10.0 110.296 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 2.6 tm? . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.187 0.517 . . . . 10.0 110.024 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 15' ' ' LEU . 2.4 m -54.43 -78.0 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.304 -0.873 . . . . 10.0 110.588 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.506 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.5 mm-40 -34.4 -55.85 0.52 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.586 -0.696 . . . . 10.0 110.642 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -36.77 74.75 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.17 -0.956 . . . . 10.0 110.18 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -69.48 -70.87 0.25 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.172 -0.955 . . . . 10.0 110.286 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.526 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 1.9 mt-30 -41.09 -32.91 0.28 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.373 -0.829 . . . . 10.0 110.149 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -65.41 -53.49 32.07 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.191 -1.563 . . . . 10.0 109.191 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.661 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -69.3 -34.94 75.46 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.316 -1.108 . . . . 10.0 109.343 179.378 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.487 ' OG1' HD11 ' A' ' 15' ' ' LEU . 1.4 m -64.81 -39.96 94.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.341 -0.849 . . . . 10.0 109.668 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 16' ' ' GLN . 66.9 t -64.13 -29.13 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.311 -0.868 . . . . 10.0 109.698 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.661 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -71.28 -34.38 70.62 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.249 -0.907 . . . . 10.0 109.029 179.418 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.554 ' O ' ' N ' ' A' ' 26' ' ' GLN . 1.6 t -73.04 -55.92 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.703 -0.623 . . . . 10.0 109.816 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.487 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -55.85 -19.02 10.15 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.108 -0.995 . . . . 10.0 109.643 179.485 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -49.14 6.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.426 -0.796 . . . . 10.0 110.143 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' GLN . 14.5 mm-40 -89.57 -21.24 22.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 10.0 110.465 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.8 OUTLIER 43.41 64.15 7.0 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.141 -0.974 . . . . 10.0 110.093 -179.83 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.598 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -69.97 151.1 67.74 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.083 1.57 . . . . 10.0 110.707 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.73 -23.4 31.0 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 123.996 1.524 . . . . 10.0 110.219 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -134.26 125.06 26.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.371 -0.831 . . . . 10.0 110.059 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.618 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -80.7 -66.26 0.91 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.228 -0.92 . . . . 10.0 110.402 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.618 ' C ' ' O ' ' A' ' 30' ' ' LEU . 6.9 t -21.49 -56.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-O 121.598 0.714 . . . . 10.0 110.577 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.8 t0 -66.51 -50.72 62.28 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.591 -0.693 . . . . 10.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 17.3 t80 -58.54 -51.98 67.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.046 -1.034 . . . . 10.0 109.765 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.584 ' CB ' ' CD1' ' A' ' 30' ' ' LEU . . . -56.2 -28.66 59.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.355 -0.84 . . . . 10.0 109.822 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.554 ' O ' ' HB ' ' A' ' 39' ' ' THR . 2.4 t -87.33 -51.72 12.46 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 O-C-N 121.28 -0.888 . . . . 10.0 110.068 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -48.35 -38.61 19.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.107 -0.996 . . . . 10.0 110.228 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.536 ' CD2' ' OE1' ' A' ' 21' ' ' GLU . 5.6 t80 -74.89 -62.5 1.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.159 -0.963 . . . . 10.0 110.325 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.472 ' CZ ' ' CB ' ' A' ' 18' ' ' TYR . 12.0 m-85 -61.44 -48.72 79.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.296 -0.877 . . . . 10.0 110.391 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.554 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 44.6 m -52.45 -44.42 65.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.098 -1.001 . . . . 10.0 109.699 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -63.19 -27.12 69.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.322 -0.861 . . . . 10.0 109.8 179.602 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.403 ' HB3' ' CG1' ' B' ' 31' ' ' VAL . 12.9 tp -68.93 -35.83 77.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.386 -0.821 . . . . 10.0 109.982 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.438 ' HD3' ' CG ' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -52.38 -32.89 40.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.26 -0.9 . . . . 10.0 109.993 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.379 -0.825 . . . . 10.0 109.97 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' B' ' 15' ' ' LEU . 2.6 tm? . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.252 0.549 . . . . 10.0 110.091 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.517 ' O ' ' N ' ' B' ' 15' ' ' LEU . 2.7 m -54.63 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.366 -0.834 . . . . 10.0 110.607 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.506 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.5 mm-40 -34.4 -55.78 0.52 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.516 -0.74 . . . . 10.0 110.604 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -36.52 74.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.11 -0.994 . . . . 10.0 110.184 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.568 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 0.2 OUTLIER -69.69 -70.91 0.26 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.21 -0.931 . . . . 10.0 110.222 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.527 ' O ' ' CG2' ' B' ' 20' ' ' VAL . 1.6 mt-30 -41.01 -32.68 0.25 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.257 -0.902 . . . . 10.0 110.108 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -65.85 -53.5 30.44 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.093 -1.603 . . . . 10.0 109.093 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.659 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -69.28 -34.65 75.06 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.243 -1.151 . . . . 10.0 109.375 179.427 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.493 ' OG1' HD11 ' B' ' 15' ' ' LEU . 1.5 m -65.08 -40.05 94.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.278 -0.889 . . . . 10.0 109.755 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' B' ' 16' ' ' GLN . 65.5 t -64.08 -28.83 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.389 -0.819 . . . . 10.0 109.662 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.659 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.8 OUTLIER -71.68 -33.9 69.22 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.22 -0.925 . . . . 10.0 109.085 179.427 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.554 ' O ' ' N ' ' B' ' 26' ' ' GLN . 1.6 t -73.37 -56.05 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.7 -0.625 . . . . 10.0 109.905 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.495 ' O ' ' NE2' ' B' ' 26' ' ' GLN . 0.5 OUTLIER -55.62 -19.53 10.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 10.0 109.594 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -49.51 6.74 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.393 -0.817 . . . . 10.0 110.239 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' B' ' 26' ' ' GLN . 14.9 mm-40 -89.08 -21.78 23.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.226 -0.921 . . . . 10.0 110.463 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' B' ' 22' ' ' VAL . 0.7 OUTLIER 44.11 63.92 7.76 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.242 -0.911 . . . . 10.0 110.06 -179.823 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.599 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 44.6 Cg_endo -69.91 150.91 67.94 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 O-C-N 124.075 1.566 . . . . 10.0 110.671 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.88 -23.39 30.32 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 123.994 1.523 . . . . 10.0 110.142 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -133.9 124.68 26.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.353 -0.842 . . . . 10.0 110.016 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.615 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.1 OUTLIER -80.42 -66.35 0.89 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 10.0 110.416 -179.826 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.615 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.5 t -21.51 -57.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 CA-C-O 121.623 0.725 . . . . 10.0 110.694 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' B' ' 30' ' ' LEU . 5.3 t0 -66.18 -50.85 62.46 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.571 -0.706 . . . . 10.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.599 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 17.5 t80 -58.41 -52.15 66.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.096 -1.002 . . . . 10.0 109.831 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.588 ' CB ' ' CD1' ' B' ' 30' ' ' LEU . . . -56.08 -28.78 59.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 10.0 109.889 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.553 ' O ' ' HB ' ' B' ' 39' ' ' THR . 2.4 t -87.28 -51.69 12.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 O-C-N 121.312 -0.867 . . . . 10.0 110.085 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -48.22 -38.88 19.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.113 -0.992 . . . . 10.0 110.194 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.536 ' CD2' ' OE1' ' B' ' 21' ' ' GLU . 5.6 t80 -74.87 -61.96 1.71 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 10.0 110.318 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.474 ' CZ ' ' CB ' ' B' ' 18' ' ' TYR . 11.8 m-85 -61.86 -48.58 79.88 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.922 . . . . 10.0 110.362 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.553 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 38.9 m -52.76 -44.16 66.3 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.986 -1.071 . . . . 10.0 109.641 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.5 OUTLIER -63.44 -26.73 68.86 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 10.0 109.75 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.2 tp -69.41 -35.7 76.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.346 -0.846 . . . . 10.0 109.977 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.433 ' HD3' ' CG ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.867 . . . . 10.0 110.059 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' A' ' 15' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.368 0.604 . . . . 10.0 110.068 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.643 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 7.3 m -62.21 -26.19 68.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 10.0 110.2 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -84.55 -54.61 4.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.286 -0.884 . . . . 10.0 110.504 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.5 mt -60.85 -48.29 82.49 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.244 -0.91 . . . . 10.0 110.415 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.527 ' HB2' HD22 ' A' ' 11' ' ' LEU . 3.5 tp -61.43 -55.9 26.17 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.124 -0.985 . . . . 10.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.643 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -41.51 -42.67 2.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.018 -1.051 . . . . 10.0 109.341 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.55 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -52.28 -65.58 3.18 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.787 -1.725 . . . . 10.0 108.787 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.578 ' CE1' ' CD2' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -38.37 -58.89 0.95 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.431 -1.04 . . . . 10.0 110.014 179.476 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 23' A LEU . 1.8 m -51.04 -34.51 29.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.357 -0.84 . . . . 10.0 109.923 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' GLY . 38.2 t -82.7 -25.11 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 10.0 110.481 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.55 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -87.18 -48.57 7.94 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.097 -1.002 . . . . 10.0 109.457 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.2 t -59.93 -36.71 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.529 -0.732 . . . . 10.0 110.081 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.537 ' HB2' ' O ' ' A' ' 19' ' ' THR . 3.3 mp -74.93 -35.51 62.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.118 -0.988 . . . . 10.0 109.82 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -69.15 -9.18 51.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.276 -0.89 . . . . 10.0 109.949 179.711 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.632 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.1 pt20 -159.9 37.75 0.18 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.387 -0.821 . . . . 10.0 109.913 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.632 ' C ' ' O ' ' A' ' 25' ' ' GLN . 2.7 mt-30 -15.92 86.6 0.03 OUTLIER Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 121.782 -0.574 . . . . 10.0 111.111 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.56 ' N ' ' O ' ' A' ' 25' ' ' GLN . 43.5 Cg_endo -69.55 162.47 41.83 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 O-C-N 124.098 1.578 . . . . 10.0 110.611 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.27 -40.23 6.37 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 O-C-N 124.074 1.565 . . . . 10.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -136.63 131.74 34.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.165 -0.959 . . . . 10.0 110.316 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.581 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -78.36 -50.1 12.37 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.196 -0.94 . . . . 10.0 110.173 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.581 ' C ' ' O ' ' A' ' 30' ' ' LEU . 5.9 t -27.43 -62.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.544 -0.723 . . . . 10.0 110.513 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.468 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -63.23 -51.79 64.79 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.475 -0.766 . . . . 10.0 110.011 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 83.0 t80 -55.71 -50.21 70.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.148 -0.97 . . . . 10.0 109.703 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.593 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -53.93 -28.79 39.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.296 -0.877 . . . . 10.0 109.699 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.652 HG21 ' CA ' ' B' ' 39' ' ' THR . 5.7 t -83.19 -56.52 5.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.402 -0.811 . . . . 10.0 109.848 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.53 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -52.35 -38.19 58.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.403 -0.811 . . . . 10.0 110.385 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.53 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 31.5 t80 -73.09 -55.75 6.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.189 -0.944 . . . . 10.0 110.617 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 10.4 m-85 -67.39 -56.12 10.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.148 -0.97 . . . . 10.0 110.617 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.64 ' CA ' HG21 ' B' ' 35' ' ' VAL . 5.5 m -44.99 -40.81 6.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.967 -1.083 . . . . 10.0 109.894 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.09 -37.08 69.65 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.28 -0.887 . . . . 10.0 109.986 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.446 ' HB3' ' CG1' ' B' ' 31' ' ' VAL . 2.3 tp -49.25 -52.09 29.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.176 -0.952 . . . . 10.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.529 ' HG2' ' CG1' ' B' ' 31' ' ' VAL . 3.4 mmm-85 -53.63 -33.06 53.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.11 -0.994 . . . . 10.0 110.189 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.242 -0.912 . . . . 10.0 110.047 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.528 ' HG ' ' CD2' ' A' ' 30' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.347 0.594 . . . . 10.0 110.069 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.646 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 7.0 m -62.47 -26.35 68.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -0.86 . . . . 10.0 110.155 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -84.43 -54.37 4.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.249 -0.907 . . . . 10.0 110.569 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.13 -48.3 82.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.904 . . . . 10.0 110.463 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.527 ' HB2' HD22 ' B' ' 11' ' ' LEU . 3.6 tp -61.46 -55.9 26.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.122 -0.986 . . . . 10.0 110.282 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.646 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.9 OUTLIER -41.51 -42.55 2.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.139 -0.975 . . . . 10.0 109.37 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.569 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -52.46 -64.99 3.58 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 108.764 -1.734 . . . . 10.0 108.764 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.577 ' CE1' ' CD2' ' B' ' 33' ' ' PHE . 0.8 OUTLIER -38.98 -58.73 1.07 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -1.102 . . . . 10.0 109.892 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' B' ' 23' B LEU . 1.8 m -51.05 -34.83 31.54 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 10.0 109.983 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' B' ' 17' ' ' GLY . 39.0 t -82.07 -25.03 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.232 -0.918 . . . . 10.0 110.448 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.569 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.8 OUTLIER -87.45 -48.75 7.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.017 . . . . 10.0 109.547 179.779 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' B' ' 26' ' ' GLN . 3.3 t -59.63 -36.66 66.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.549 -0.72 . . . . 10.0 110.093 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.537 ' HB2' ' O ' ' B' ' 19' ' ' THR . 3.3 mp -75.11 -35.67 61.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 10.0 109.767 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -68.95 -9.02 49.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 10.0 109.989 179.754 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.629 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.0 pt20 -160.12 37.75 0.18 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.397 -0.814 . . . . 10.0 109.93 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.629 ' C ' ' O ' ' B' ' 25' ' ' GLN . 2.6 mt-30 -15.99 86.66 0.03 OUTLIER Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.836 -0.54 . . . . 10.0 111.118 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.562 ' N ' ' O ' ' B' ' 25' ' ' GLN . 43.5 Cg_endo -69.54 162.59 41.37 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.083 1.57 . . . . 10.0 110.603 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.53 -40.56 5.52 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.086 1.571 . . . . 10.0 110.608 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -136.19 131.58 34.79 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.221 -0.925 . . . . 10.0 110.293 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.577 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.9 OUTLIER -78.17 -49.92 12.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.289 -0.882 . . . . 10.0 110.23 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.577 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.0 t -27.63 -62.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.582 -0.699 . . . . 10.0 110.539 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.467 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -63.02 -51.56 66.31 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.562 -0.711 . . . . 10.0 110.079 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.577 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 82.7 t80 -56.07 -49.96 72.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.155 -0.966 . . . . 10.0 109.729 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.593 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -54.14 -29.01 43.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 10.0 109.635 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.64 HG21 ' CA ' ' A' ' 39' ' ' THR . 5.6 t -82.88 -56.16 6.29 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.394 -0.816 . . . . 10.0 109.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.53 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -52.98 -38.08 61.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 10.0 110.366 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.53 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 31.3 t80 -73.07 -55.65 6.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.138 -0.976 . . . . 10.0 110.599 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 10.3 m-85 -67.5 -56.17 10.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 10.0 110.556 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.652 ' CA ' HG21 ' A' ' 35' ' ' VAL . 5.8 m -44.69 -41.15 6.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.088 -1.008 . . . . 10.0 109.998 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -36.95 70.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.937 . . . . 10.0 109.986 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.49 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . 2.2 tp -49.35 -52.03 30.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 10.0 110.284 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.527 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 3.2 mmm-85 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.192 -0.943 . . . . 10.0 110.181 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.25 0.548 . . . . 10.0 110.171 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 13' ' ' GLU . 59.8 m -52.98 -73.18 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 10.0 110.278 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.3 tt0 -37.13 -42.54 0.44 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.559 -0.713 . . . . 10.0 110.252 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -60.58 2.5 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.201 -0.937 . . . . 10.0 110.107 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.495 HD11 ' N ' ' A' ' 15' ' ' LEU . 1.6 mp -67.73 -60.48 2.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 10.0 110.226 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -39.05 -44.43 1.12 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.874 . . . . 10.0 109.685 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -55.57 -63.62 5.12 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 108.627 -1.789 . . . . 10.0 108.627 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.653 ' OH ' HD12 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -43.82 -57.91 3.01 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.326 -1.102 . . . . 10.0 109.963 179.262 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.501 ' O ' ' HB2' ' A' ' 23' A LEU . 0.2 OUTLIER -45.23 -31.68 1.61 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.409 -0.807 . . . . 10.0 110.317 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 73.8 t -86.71 -24.84 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 10.0 110.432 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.559 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -89.12 -37.18 15.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.149 -0.969 . . . . 10.0 109.757 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' GLN . 2.4 t -75.17 -42.79 44.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.514 -0.741 . . . . 10.0 110.304 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 19' ' ' THR . 8.2 mt -76.61 -31.69 57.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.147 -0.971 . . . . 10.0 110.129 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -80.73 1.75 28.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.181 -0.95 . . . . 10.0 110.435 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.692 ' O ' ' C ' ' A' ' 26' ' ' GLN . 3.5 pt20 -165.58 23.79 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.119 -0.988 . . . . 10.0 110.542 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.692 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 2.82 78.62 0.04 OUTLIER Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 121.713 -0.617 . . . . 10.0 110.982 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.5 ' CD ' ' HA ' ' A' ' 22' ' ' VAL . 43.5 Cg_endo -70.05 126.28 12.95 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 O-C-N 124.125 1.592 . . . . 10.0 110.771 -179.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.71 -5.18 15.56 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 124.009 1.531 . . . . 10.0 110.2 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.546 ' O ' ' C ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -114.32 27.82 9.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.422 -0.799 . . . . 10.0 109.906 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.653 HD12 ' OH ' ' A' ' 18' ' ' TYR . 13.9 tp -29.64 -68.79 0.07 Allowed 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.468 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.507 ' C ' ' O ' ' A' ' 30' ' ' LEU . 20.6 t -38.57 -61.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.275 -0.891 . . . . 10.0 109.346 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.512 ' HB2' ' NE ' ' B' ' 42' ' ' ARG . 0.7 OUTLIER -59.76 -50.48 73.65 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.732 -0.605 . . . . 10.0 109.389 179.24 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -50.93 -52.04 46.19 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.28 -0.888 . . . . 10.0 109.307 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.614 ' N ' ' OH ' ' A' ' 18' ' ' TYR . . . -53.05 -27.96 22.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.447 -0.783 . . . . 10.0 109.866 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.544 HG22 ' CA ' ' B' ' 39' ' ' THR . 4.4 t -85.94 -54.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.361 -0.837 . . . . 10.0 109.804 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.703 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 4.6 mm-40 -49.31 -34.65 16.11 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 10.0 110.017 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -77.54 -52.56 8.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.231 -0.918 . . . . 10.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.457 ' CD2' ' HB3' ' B' ' 34' ' ' ALA . 12.0 m-85 -72.36 -55.54 6.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.257 -0.902 . . . . 10.0 110.306 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.542 ' HA ' HG22 ' B' ' 35' ' ' VAL . 11.7 m -47.6 -49.81 25.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.173 -0.954 . . . . 10.0 110.072 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.703 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -65.81 -33.94 77.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.008 -1.057 . . . . 10.0 109.595 179.436 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD11 ' C ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -44.64 -56.28 4.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.347 -0.845 . . . . 10.0 110.302 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.431 ' HD2' ' CG1' ' B' ' 31' ' ' VAL . 0.0 OUTLIER -50.48 -33.45 21.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.194 -0.941 . . . . 10.0 110.381 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.198 -0.939 . . . . 10.0 110.453 -179.846 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.282 0.563 . . . . 10.0 110.223 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.484 ' O ' ' C ' ' B' ' 13' ' ' GLU . 60.0 m -54.09 -73.6 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.9 . . . . 10.0 110.384 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.4 tt0 -37.01 -42.82 0.43 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.498 -0.751 . . . . 10.0 110.322 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -60.76 2.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.383 -0.823 . . . . 10.0 110.108 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.5 ' N ' HD11 ' B' ' 15' ' ' LEU . 1.5 mp -67.71 -60.62 2.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -0.896 . . . . 10.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' B' ' 15' ' ' LEU . 0.9 OUTLIER -38.97 -44.43 1.08 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.327 -0.858 . . . . 10.0 109.738 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.509 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -55.53 -63.6 5.14 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 108.617 -1.793 . . . . 10.0 108.617 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.649 ' OH ' HD12 ' B' ' 30' ' ' LEU . 0.9 OUTLIER -43.82 -58.0 2.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.406 -1.055 . . . . 10.0 109.933 179.354 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.504 ' O ' ' HB2' ' B' ' 23' B LEU . 0.2 OUTLIER -45.18 -31.71 1.57 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.38 -0.825 . . . . 10.0 110.39 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' B' ' 24' ' ' ARG . 65.7 t -86.85 -24.48 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.911 . . . . 10.0 110.416 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.553 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -89.25 -36.87 15.36 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.139 -0.975 . . . . 10.0 109.823 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' B' ' 26' ' ' GLN . 2.3 t -75.42 -42.78 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.477 -0.765 . . . . 10.0 110.32 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.504 ' HB2' ' O ' ' B' ' 19' ' ' THR . 9.2 mt -76.61 -31.68 57.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.125 -0.985 . . . . 10.0 110.173 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -80.8 1.56 30.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.233 -0.917 . . . . 10.0 110.486 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' B' ' 26' ' ' GLN . 3.4 pt20 -165.48 24.0 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.106 -0.996 . . . . 10.0 110.408 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 2.69 78.65 0.04 OUTLIER Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.682 -0.636 . . . . 10.0 111.02 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.504 ' CD ' ' HA ' ' B' ' 22' ' ' VAL . 43.9 Cg_endo -70.03 125.97 12.6 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.057 1.556 . . . . 10.0 110.866 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.37 -5.49 16.1 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 123.955 1.503 . . . . 10.0 110.19 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.547 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -114.18 27.68 9.31 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.342 -0.849 . . . . 10.0 109.881 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.649 HD12 ' OH ' ' B' ' 18' ' ' TYR . 14.0 tp -29.65 -68.42 0.07 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.465 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.504 ' C ' ' O ' ' B' ' 30' ' ' LEU . 21.2 t -38.83 -61.12 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.215 -0.928 . . . . 10.0 109.301 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.507 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 0.6 OUTLIER -59.84 -50.51 73.5 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.286 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -50.65 -52.11 42.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.318 -0.864 . . . . 10.0 109.381 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.618 ' N ' ' OH ' ' B' ' 18' ' ' TYR . . . -52.91 -28.37 23.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.409 -0.807 . . . . 10.0 109.885 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 39' ' ' THR . 4.0 t -85.62 -54.48 8.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.474 -0.766 . . . . 10.0 109.71 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.693 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 4.5 mm-40 -49.88 -35.17 22.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 10.0 109.967 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -77.02 -52.07 9.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.104 -0.997 . . . . 10.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.449 ' CD2' ' HB3' ' A' ' 34' ' ' ALA . 12.4 m-85 -72.92 -55.75 6.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.227 -0.921 . . . . 10.0 110.318 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.544 ' CA ' HG22 ' A' ' 35' ' ' VAL . 15.1 m -47.1 -50.11 20.59 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.107 -0.996 . . . . 10.0 110.112 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.693 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.1 OUTLIER -65.53 -35.03 79.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.928 -1.108 . . . . 10.0 109.531 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' B' ' 41' ' ' LEU . 0.1 OUTLIER -43.41 -56.5 3.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 10.0 110.331 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.512 ' NE ' ' HB2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.227 -0.921 . . . . 10.0 110.357 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 12' ' ' THR . 17.2 tp . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.163 0.506 . . . . 10.0 110.134 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.528 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 20.2 m -39.82 -72.03 0.07 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.91 . . . . 10.0 110.101 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.8 mm-40 -34.25 -48.32 0.33 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.536 -0.727 . . . . 10.0 110.595 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 1.2 mp -60.62 -77.98 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.242 -0.911 . . . . 10.0 110.098 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.6 mp -44.01 -51.16 7.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 10.0 109.934 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 12' ' ' THR . 1.4 tt0 -48.03 -48.29 33.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.18 -0.95 . . . . 10.0 109.565 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -48.51 -54.6 12.79 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.925 -1.67 . . . . 10.0 108.925 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.54 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -40.58 -57.0 1.96 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.438 -1.036 . . . . 10.0 109.864 179.553 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.536 ' O ' ' HB2' ' A' ' 23' A LEU . 0.7 OUTLIER -48.48 -50.06 33.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.334 -0.854 . . . . 10.0 109.665 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.458 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 16.5 t -59.5 -27.84 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.275 -0.891 . . . . 10.0 110.414 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.506 ' HG3' ' CA ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -88.52 -50.79 6.07 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.25 -0.906 . . . . 10.0 109.77 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 18' ' ' TYR . 3.3 t -57.8 -36.29 54.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.503 -0.748 . . . . 10.0 109.905 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.4 OUTLIER -72.61 -42.03 64.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 10.0 109.66 179.407 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -77.93 -44.81 25.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 10.0 110.082 179.726 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 10.0 mm100 -81.53 -31.69 32.66 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.147 -0.971 . . . . 10.0 110.194 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 42.21 56.51 10.26 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.368 -0.832 . . . . 10.0 110.348 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.433 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -70.29 159.66 52.25 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.023 1.538 . . . . 10.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.93 -33.67 15.49 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 O-C-N 124.006 1.529 . . . . 10.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.94 132.06 31.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.937 . . . . 10.0 110.092 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.544 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.4 OUTLIER -77.84 -47.04 19.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.204 -0.935 . . . . 10.0 110.1 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.544 ' C ' ' O ' ' A' ' 30' ' ' LEU . 11.2 t -30.6 -68.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.637 -0.665 . . . . 10.0 110.386 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.521 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -52.44 -50.46 62.54 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.399 -0.813 . . . . 10.0 109.666 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.521 ' N ' ' CG ' ' A' ' 32' ' ' ASP . 0.9 OUTLIER -51.92 -66.78 0.33 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.172 -0.955 . . . . 10.0 108.82 178.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.602 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -39.69 -30.56 0.08 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.681 -0.637 . . . . 10.0 109.929 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.612 HG23 ' OG1' ' B' ' 39' ' ' THR . 6.9 t -84.15 -60.03 2.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 O-C-N 121.19 -0.944 . . . . 10.0 110.119 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -50.04 -35.74 26.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.873 . . . . 10.0 110.07 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.538 ' CE1' HD11 ' A' ' 41' ' ' LEU . 14.6 t80 -77.37 -63.85 1.28 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.862 . . . . 10.0 110.606 -179.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 10.7 m-85 -58.29 -45.73 87.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 10.0 110.397 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.581 ' CA ' HG23 ' B' ' 35' ' ' VAL . 15.9 m -52.99 -45.66 67.93 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.001 -1.062 . . . . 10.0 109.933 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -68.32 -29.62 68.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 10.0 110.053 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.538 HD11 ' CE1' ' A' ' 37' ' ' TYR . 1.1 mt -77.51 -27.53 51.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.369 -0.832 . . . . 10.0 110.111 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.31 -45.31 73.33 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.31 -0.869 . . . . 10.0 109.793 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.448 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 2.8 mp0 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 10.0 110.135 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' B' ' 12' ' ' THR . 18.3 tp . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.2 0.524 . . . . 10.0 110.174 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.534 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 20.1 m -39.83 -72.24 0.07 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 10.0 110.148 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.503 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.8 mm-40 -34.18 -48.63 0.33 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.657 -0.652 . . . . 10.0 110.502 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 1.3 mp -60.21 -78.42 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.272 -0.893 . . . . 10.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' B' ' 14' ' ' LEU . 2.6 mp -43.58 -50.88 7.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.949 . . . . 10.0 109.929 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.534 ' HB2' ' O ' ' B' ' 12' ' ' THR . 1.3 tt0 -48.1 -48.97 33.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.178 -0.951 . . . . 10.0 109.503 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -47.83 -54.28 11.92 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.922 -1.671 . . . . 10.0 108.922 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.525 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 0.3 OUTLIER -41.24 -56.06 2.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.399 -1.059 . . . . 10.0 109.794 179.503 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.555 HG23 ' N ' ' B' ' 20' ' ' VAL . 0.8 OUTLIER -49.49 -46.3 48.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.388 -0.82 . . . . 10.0 109.74 179.538 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.555 ' N ' HG23 ' B' ' 19' ' ' THR . 16.4 t -64.09 -26.7 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.288 -0.883 . . . . 10.0 110.336 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.506 ' HG3' ' CA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -89.37 -50.41 6.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.139 -0.975 . . . . 10.0 109.644 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.49 HG23 ' O ' ' B' ' 18' ' ' TYR . 3.4 t -57.68 -36.05 53.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.547 -0.72 . . . . 10.0 109.892 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.54 ' HB2' ' O ' ' B' ' 19' ' ' THR . 0.4 OUTLIER -73.09 -42.68 62.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.201 -0.937 . . . . 10.0 109.707 179.476 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -77.09 -44.4 30.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.398 -0.814 . . . . 10.0 110.025 179.758 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 21' ' ' GLU . 9.9 mm100 -82.13 -31.32 30.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 10.0 110.256 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 42.0 56.54 9.95 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.307 -0.87 . . . . 10.0 110.38 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.433 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 43.6 Cg_endo -70.11 159.05 54.51 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 123.991 1.521 . . . . 10.0 110.588 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.79 -33.04 17.28 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 O-C-N 124.052 1.554 . . . . 10.0 110.591 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -138.54 131.45 29.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 10.0 110.139 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.545 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.4 OUTLIER -77.38 -46.77 21.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.249 -0.907 . . . . 10.0 110.192 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.545 ' C ' ' O ' ' B' ' 30' ' ' LEU . 11.5 t -30.87 -68.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.633 -0.667 . . . . 10.0 110.439 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.521 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -51.95 -50.82 60.44 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.427 -0.796 . . . . 10.0 109.593 179.769 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.521 ' N ' ' CG ' ' B' ' 32' ' ' ASP . 0.9 OUTLIER -51.48 -66.71 0.34 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.172 -0.955 . . . . 10.0 108.904 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.582 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -39.72 -30.98 0.09 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.65 -0.656 . . . . 10.0 109.926 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.581 HG23 ' CA ' ' A' ' 39' ' ' THR . 6.8 t -83.67 -59.44 2.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.177 -0.952 . . . . 10.0 109.971 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -35.99 36.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.3 -0.875 . . . . 10.0 110.204 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.53 ' CE1' HD11 ' B' ' 41' ' ' LEU . 14.2 t80 -77.09 -63.04 1.46 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 10.0 110.534 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.602 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 11.0 m-85 -59.1 -44.9 91.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.194 -0.941 . . . . 10.0 110.465 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.612 ' OG1' HG23 ' A' ' 35' ' ' VAL . 14.4 m -53.06 -45.6 68.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.951 -1.093 . . . . 10.0 109.881 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -29.84 68.54 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.349 -0.845 . . . . 10.0 110.176 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.53 HD11 ' CE1' ' B' ' 37' ' ' TYR . 1.1 mt -77.48 -27.75 52.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 10.0 110.17 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.481 ' CA ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.338 -0.851 . . . . 10.0 109.756 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.488 ' HG ' ' HG ' ' B' ' 30' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.228 0.537 . . . . 10.0 110.078 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' LEU . 6.8 m -44.42 -38.34 3.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 10.0 109.95 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -51.92 61.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.414 -0.804 . . . . 10.0 109.8 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 11' ' ' LEU . 2.1 mp -62.17 -41.49 98.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.304 -0.872 . . . . 10.0 109.835 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.483 HD12 ' CD2' ' A' ' 11' ' ' LEU . 1.2 mp -63.15 -53.61 50.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.302 -0.873 . . . . 10.0 110.009 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -39.75 -63.66 0.56 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 10.0 109.707 179.768 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -48.14 -54.54 12.09 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.604 -1.798 . . . . 10.0 108.604 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.617 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -38.2 -62.66 0.55 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.509 -0.995 . . . . 10.0 110.488 179.635 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.479 ' O ' HD11 ' A' ' 23' A LEU . 0.7 OUTLIER -50.07 -33.98 20.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.39 -0.819 . . . . 10.0 110.209 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 85.8 t -77.85 -17.19 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.237 -0.915 . . . . 10.0 110.558 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.576 ' HG3' ' CA ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -94.17 -39.05 10.76 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.137 -0.977 . . . . 10.0 110.058 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 1.9 t -68.18 -31.53 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.401 -0.812 . . . . 10.0 110.126 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.479 HD11 ' O ' ' A' ' 19' ' ' THR . 0.3 OUTLIER -90.41 -32.86 16.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 10.0 110.338 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.529 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -75.69 -68.53 0.56 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.046 -1.034 . . . . 10.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -76.04 -19.74 58.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.403 -0.811 . . . . 10.0 110.213 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.523 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 43.14 74.31 0.8 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.183 -0.948 . . . . 10.0 109.953 -179.742 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.26 162.5 41.56 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.101 1.58 . . . . 10.0 110.681 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.51 -55.42 0.19 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 124.017 1.535 . . . . 10.0 110.344 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.472 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 5.5 m-20 -116.38 123.57 47.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.328 -0.858 . . . . 10.0 109.999 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.614 HD13 ' CE2' ' A' ' 18' ' ' TYR . 1.3 tm? -72.19 -59.27 2.82 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.259 -0.901 . . . . 10.0 110.258 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.533 ' C ' ' O ' ' A' ' 30' ' ' LEU . 21.8 t -34.48 -66.75 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.324 -0.86 . . . . 10.0 110.043 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -51.07 -42.83 60.84 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.6 -0.688 . . . . 10.0 109.872 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.489 ' HB3' ' O ' ' A' ' 30' ' ' LEU . 34.3 t80 -58.63 -51.47 69.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.168 -0.958 . . . . 10.0 109.484 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.617 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -49.79 -36.8 27.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.339 -0.851 . . . . 10.0 109.597 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.662 HG21 ' OG1' ' B' ' 39' ' ' THR . 4.9 t -82.21 -57.21 4.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.565 -0.71 . . . . 10.0 110.125 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.475 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 3.4 mm-40 -50.2 -42.25 51.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 10.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.407 ' CE2' ' OE2' ' A' ' 21' ' ' GLU . 17.6 t80 -72.01 -65.31 0.79 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 10.0 110.433 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 16.2 m-85 -56.61 -37.93 71.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.146 -0.971 . . . . 10.0 110.471 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.679 ' OG1' HG21 ' B' ' 35' ' ' VAL . 24.1 m -55.29 -41.32 72.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.097 -1.002 . . . . 10.0 110.047 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -71.91 -28.87 63.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.336 -0.852 . . . . 10.0 110.435 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.66 -40.75 95.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.214 -0.929 . . . . 10.0 110.323 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.461 ' HG2' HG12 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -57.82 -14.12 5.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 10.0 110.232 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.937 . . . . 10.0 110.265 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.489 ' HG ' ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.15 0.5 . . . . 10.0 110.161 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.409 ' C ' ' O ' ' B' ' 11' ' ' LEU . 7.0 m -44.77 -37.96 4.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 10.0 109.969 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -52.11 59.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.408 -0.807 . . . . 10.0 109.835 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' B' ' 11' ' ' LEU . 2.2 mp -61.91 -41.87 98.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.804 . . . . 10.0 109.848 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.489 HD12 ' CD2' ' B' ' 11' ' ' LEU . 1.2 mp -62.91 -53.2 57.86 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.33 -0.856 . . . . 10.0 110.05 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' B' ' 15' ' ' LEU . 0.6 OUTLIER -39.94 -63.66 0.58 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 10.0 109.675 179.663 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.52 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -48.12 -54.59 11.9 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 108.616 -1.794 . . . . 10.0 108.616 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.619 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 1.0 OUTLIER -37.97 -62.84 0.52 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.509 -0.995 . . . . 10.0 110.457 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.481 ' O ' HD11 ' B' ' 23' B LEU . 0.7 OUTLIER -50.02 -34.04 19.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.413 -0.804 . . . . 10.0 110.221 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.528 ' O ' ' HB3' ' B' ' 24' ' ' ARG . 81.1 t -77.99 -16.99 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.27 -0.894 . . . . 10.0 110.523 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.573 ' HG3' ' CA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -94.27 -38.89 10.8 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.14 -0.975 . . . . 10.0 110.032 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' B' ' 26' ' ' GLN . 1.9 t -68.35 -31.35 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 10.0 110.08 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.481 HD11 ' O ' ' B' ' 19' ' ' THR . 0.3 OUTLIER -90.35 -33.64 15.99 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.136 -0.977 . . . . 10.0 110.414 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.528 ' HB3' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -75.35 -68.35 0.57 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.137 -0.977 . . . . 10.0 110.416 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -75.74 -20.14 58.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.366 -0.834 . . . . 10.0 110.22 -179.686 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 43.13 74.23 0.81 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.242 -0.911 . . . . 10.0 109.853 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.35 162.58 41.28 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.13 1.595 . . . . 10.0 110.687 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -69.42 -55.31 0.19 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 O-C-N 124.08 1.569 . . . . 10.0 110.34 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.47 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 5.4 m-20 -116.53 123.51 47.6 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 10.0 109.968 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.615 HD13 ' CE2' ' B' ' 18' ' ' TYR . 1.3 tm? -72.3 -59.07 2.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 10.0 110.323 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.534 ' C ' ' O ' ' B' ' 30' ' ' LEU . 21.7 t -34.32 -66.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.294 -0.879 . . . . 10.0 110.006 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.47 ' OD1' ' O ' ' B' ' 29' ' ' ASP . 0.0 OUTLIER -51.05 -42.95 60.85 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.642 -0.661 . . . . 10.0 109.933 179.726 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.484 ' HB3' ' O ' ' B' ' 30' ' ' LEU . 34.6 t80 -58.58 -51.66 68.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.035 -1.041 . . . . 10.0 109.374 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.619 ' CB ' ' OH ' ' B' ' 18' ' ' TYR . . . -49.62 -37.02 26.27 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.247 -0.908 . . . . 10.0 109.496 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.679 HG21 ' OG1' ' A' ' 39' ' ' THR . 5.1 t -82.16 -57.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.507 -0.746 . . . . 10.0 110.156 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.474 ' O ' ' HD2' ' B' ' 40' ' ' ARG . 3.2 mm-40 -50.32 -42.28 52.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 10.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.411 ' CE2' ' OE2' ' B' ' 21' ' ' GLU . 17.5 t80 -71.93 -65.08 0.81 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.242 -0.911 . . . . 10.0 110.361 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.506 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 16.0 m-85 -56.85 -38.54 72.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.183 -0.948 . . . . 10.0 110.461 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.662 ' OG1' HG21 ' A' ' 35' ' ' VAL . 27.4 m -54.63 -41.32 69.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.066 -1.021 . . . . 10.0 110.048 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' B' ' 36' ' ' GLU . 0.8 OUTLIER -71.69 -29.81 64.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 10.0 110.528 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.92 -40.35 96.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.162 -0.961 . . . . 10.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.458 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.16 -0.962 . . . . 10.0 110.281 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 2.1 tp . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.338 0.59 . . . . 10.0 110.101 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.541 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 1.2 m -55.47 -26.7 43.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.317 -0.864 . . . . 10.0 110.056 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -73.02 -65.42 0.8 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.91 . . . . 10.0 110.355 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 14' ' ' LEU . 1.7 mp -53.88 -38.72 65.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.267 -0.896 . . . . 10.0 110.32 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 1.2 mp -66.43 -52.84 42.25 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.178 -0.951 . . . . 10.0 110.12 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -43.48 -48.8 7.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.136 -0.977 . . . . 10.0 109.65 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -52.97 -59.59 9.18 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.027 -1.629 . . . . 10.0 109.027 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.577 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -42.13 -50.1 4.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.356 -1.084 . . . . 10.0 109.943 179.715 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.828 ' O ' HD21 ' A' ' 23' A LEU . 1.0 OUTLIER -58.73 -28.36 65.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.323 -0.86 . . . . 10.0 109.721 179.701 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.583 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 58.1 t -86.45 -19.33 8.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 120.961 -1.087 . . . . 10.0 110.19 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -95.05 -47.37 6.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.046 -1.034 . . . . 10.0 109.115 179.397 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.406 ' HB ' HD22 ' A' ' 23' A LEU . 48.3 t -61.28 -39.58 83.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.72 -0.613 . . . . 10.0 109.934 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.828 HD21 ' O ' ' A' ' 19' ' ' THR . 3.0 mm? -86.26 -29.17 23.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.907 . . . . 10.0 110.253 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.583 ' CB ' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -102.49 29.13 5.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.146 -0.971 . . . . 10.0 110.245 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.656 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -178.53 27.72 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 10.0 110.352 179.806 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.656 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -12.85 87.32 0.03 OUTLIER Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.547 -0.721 . . . . 10.0 111.097 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.5 Cg_endo -69.49 166.58 26.79 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.072 1.564 . . . . 10.0 110.752 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.459 ' O ' ' OD1' ' A' ' 29' ' ' ASP . 43.4 Cg_endo -69.59 -32.49 19.15 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 O-C-N 124.04 1.547 . . . . 10.0 110.559 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.51 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 1.1 m-20 -143.61 130.92 20.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.214 -0.929 . . . . 10.0 110.233 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -77.17 -70.05 0.49 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.232 -0.918 . . . . 10.0 110.118 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.534 HG13 ' HG2' ' B' ' 42' ' ' ARG . 18.9 t -37.46 -64.24 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.273 -0.892 . . . . 10.0 109.427 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.511 ' N ' ' HD2' ' B' ' 42' ' ' ARG . 5.0 t0 -52.08 -44.44 64.34 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.67 -0.643 . . . . 10.0 109.454 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -56.21 -59.54 4.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -0.929 . . . . 10.0 108.955 178.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.606 ' O ' ' CD2' ' A' ' 38' ' ' PHE . . . -46.68 -30.57 2.42 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.823 -0.751 . . . . 10.0 109.164 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.627 HG22 ' OG1' ' B' ' 39' ' ' THR . 2.9 t -81.68 -62.09 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.413 -0.805 . . . . 10.0 109.952 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -46.73 -39.87 12.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.44 -0.788 . . . . 10.0 110.406 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.451 ' N ' ' HG2' ' A' ' 36' ' ' GLU . 74.7 t80 -76.82 -62.01 1.78 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.247 -0.908 . . . . 10.0 110.611 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.606 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 17.7 m-85 -57.77 -44.43 86.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.16 -0.963 . . . . 10.0 110.38 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.619 ' OG1' HG22 ' B' ' 35' ' ' VAL . 2.4 m -57.29 -48.79 78.02 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.07 -1.019 . . . . 10.0 109.646 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -66.81 -38.17 85.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.363 -0.836 . . . . 10.0 110.15 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -51.78 -42.36 62.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.221 -0.925 . . . . 10.0 109.9 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.539 ' NE ' HG13 ' B' ' 31' ' ' VAL . 1.8 mmp_? -54.23 -19.96 6.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 10.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.494 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.252 -0.905 . . . . 10.0 109.985 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' B' ' 15' ' ' LEU . 2.1 tp . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.299 0.571 . . . . 10.0 110.027 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.544 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 1.3 m -55.2 -26.48 39.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.302 -0.874 . . . . 10.0 110.17 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -73.39 -65.25 0.84 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 10.0 110.276 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.402 ' N ' HD13 ' B' ' 14' ' ' LEU . 1.8 mp -54.17 -38.36 65.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 10.0 110.41 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 1.2 mp -66.64 -52.86 40.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.963 . . . . 10.0 110.157 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -43.59 -48.91 7.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.095 -1.003 . . . . 10.0 109.681 179.79 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -52.65 -59.71 8.84 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.966 -1.654 . . . . 10.0 108.966 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.57 ' CE2' HD12 ' B' ' 30' ' ' LEU . 0.3 OUTLIER -41.92 -50.58 4.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.376 -1.073 . . . . 10.0 109.989 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.834 ' O ' HD21 ' B' ' 23' B LEU . 1.0 OUTLIER -58.38 -28.45 65.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.286 -0.884 . . . . 10.0 109.73 179.646 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.594 ' O ' ' CB ' ' B' ' 24' ' ' ARG . 60.6 t -86.28 -19.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 120.903 -1.123 . . . . 10.0 110.174 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.557 ' O ' ' CG ' ' B' ' 25' ' ' GLN . 0.2 OUTLIER -95.01 -47.49 6.38 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.081 -1.012 . . . . 10.0 109.098 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.414 ' HB ' HD22 ' B' ' 23' B LEU . 48.9 t -61.05 -39.84 83.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.68 -0.638 . . . . 10.0 110.028 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.834 HD21 ' O ' ' B' ' 19' ' ' THR . 2.8 mm? -86.5 -28.61 23.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 10.0 110.292 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.594 ' CB ' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -102.77 28.93 5.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.238 -0.914 . . . . 10.0 110.26 179.796 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.657 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -178.28 27.85 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.201 -0.937 . . . . 10.0 110.244 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.657 ' C ' ' O ' ' B' ' 25' ' ' GLN . 1.0 OUTLIER -12.96 87.43 0.03 OUTLIER Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.566 -0.708 . . . . 10.0 111.086 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.533 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 43.1 Cg_endo -69.6 166.53 27.1 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 O-C-N 124.101 1.579 . . . . 10.0 110.73 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.457 ' O ' ' OD1' ' B' ' 29' ' ' ASP . 43.1 Cg_endo -69.57 -32.96 18.29 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.034 1.544 . . . . 10.0 110.633 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.51 ' O ' ' HB2' ' B' ' 33' ' ' PHE . 1.1 m-20 -143.21 131.12 21.59 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.19 -0.944 . . . . 10.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' B' ' 18' ' ' TYR . 0.1 OUTLIER -77.12 -70.24 0.48 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.217 -0.927 . . . . 10.0 110.154 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.539 HG13 ' NE ' ' A' ' 42' ' ' ARG . 21.0 t -37.35 -64.23 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.135 -0.978 . . . . 10.0 109.386 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 5.0 t0 -51.98 -44.64 64.12 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.753 -0.592 . . . . 10.0 109.429 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' B' ' 33' ' ' PHE . 0.6 OUTLIER -56.06 -59.82 4.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.273 -0.892 . . . . 10.0 108.913 179.025 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.599 ' O ' ' CD2' ' B' ' 38' ' ' PHE . . . -46.75 -30.36 2.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.393 -0.817 . . . . 10.0 109.245 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.619 HG22 ' OG1' ' A' ' 39' ' ' THR . 2.9 t -81.65 -62.1 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.397 -0.814 . . . . 10.0 109.902 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -46.92 -40.13 13.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.358 -0.839 . . . . 10.0 110.386 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.462 ' N ' ' HG2' ' B' ' 36' ' ' GLU . 75.0 t80 -76.43 -62.41 1.63 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 10.0 110.555 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 17.8 m-85 -57.42 -43.99 84.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.121 -0.987 . . . . 10.0 110.374 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.627 ' OG1' HG22 ' A' ' 35' ' ' VAL . 2.4 m -57.56 -49.52 76.11 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.864 -1.148 . . . . 10.0 109.608 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -66.05 -38.85 89.38 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.395 -0.816 . . . . 10.0 110.258 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.521 HD23 ' O ' ' B' ' 41' ' ' LEU . 0.0 OUTLIER -51.23 -41.94 60.66 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.2 -0.937 . . . . 10.0 109.914 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.534 ' HG2' HG13 ' A' ' 31' ' ' VAL . 1.7 mmp_? . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.138 -0.976 . . . . 10.0 110.282 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.508 HD22 ' CG2' ' B' ' 19' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.252 0.549 . . . . 10.0 110.266 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' LEU . 57.9 m -39.78 -80.56 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.359 -0.838 . . . . 10.0 110.452 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.4 mp0 -39.38 -48.96 1.98 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.451 -0.781 . . . . 10.0 110.422 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.08 -40.89 86.63 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.264 -0.898 . . . . 10.0 110.281 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 16' ' ' GLN . 19.9 mt -65.67 -65.94 0.61 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.148 -0.97 . . . . 10.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.534 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 1.2 mt-30 -39.76 -45.28 1.71 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.3 -0.875 . . . . 10.0 110.12 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.494 ' O ' ' HG2' ' A' ' 21' ' ' GLU . . . -53.91 -47.72 64.89 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.437 -1.465 . . . . 10.0 109.437 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.604 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -71.41 -57.33 4.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.13 -1.217 . . . . 10.0 109.61 179.772 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.549 ' CG2' HD22 ' B' ' 11' ' ' LEU . 1.8 m -51.08 -26.98 7.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 10.0 109.436 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.616 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 10.2 t -73.4 -31.15 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.414 -0.804 . . . . 10.0 110.005 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.604 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.2 mt-10 -74.6 -32.97 62.52 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.232 -0.918 . . . . 10.0 109.695 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.529 HG23 ' CE1' ' A' ' 18' ' ' TYR . 1.5 t -70.97 -42.07 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.546 -0.721 . . . . 10.0 109.965 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 23' A LEU . 10.8 mp -80.7 -8.12 59.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 10.0 109.784 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.616 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 2.1 tpt180 -100.38 -35.0 9.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -0.81 . . . . 10.0 109.907 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.2 pt20 -114.09 -15.87 12.2 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.257 -0.902 . . . . 10.0 110.392 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 42.59 78.82 0.36 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.166 -0.959 . . . . 10.0 110.061 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -69.27 170.98 14.75 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 124.032 1.543 . . . . 10.0 110.685 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.32 -22.85 33.49 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 O-C-N 124.075 1.566 . . . . 10.0 110.469 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -150.28 124.68 9.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.368 -0.833 . . . . 10.0 110.009 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -82.34 -65.55 1.0 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 10.0 110.249 -179.778 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.547 ' C ' ' O ' ' A' ' 30' ' ' LEU . 9.8 t -32.02 -60.47 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.33 -0.856 . . . . 10.0 110.147 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.484 ' OD1' ' NH2' ' B' ' 42' ' ' ARG . 4.3 t0 -63.03 -43.4 98.82 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.594 -0.692 . . . . 10.0 110.245 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' LEU . 73.4 t80 -63.48 -44.66 93.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.157 -0.964 . . . . 10.0 109.78 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.6 ' HB2' ' CZ ' ' A' ' 18' ' ' TYR . . . -61.76 -28.95 69.81 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.388 -0.82 . . . . 10.0 110.057 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.597 HG21 ' CA ' ' B' ' 39' ' ' THR . 2.4 t -83.47 -48.06 17.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 121.417 -0.802 . . . . 10.0 110.063 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -51.62 -33.93 35.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.327 -0.858 . . . . 10.0 109.842 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.593 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 4.0 t80 -72.69 -63.87 1.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 10.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.476 ' CE1' ' CE2' ' A' ' 37' ' ' TYR . 23.1 m-85 -58.85 -51.14 71.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.23 -0.919 . . . . 10.0 110.041 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.568 ' CA ' HG21 ' B' ' 35' ' ' VAL . 90.6 m -48.62 -43.9 36.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 10.0 109.868 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -76.45 -24.7 53.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.274 -0.891 . . . . 10.0 109.78 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.37 -40.72 65.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.333 -0.854 . . . . 10.0 109.922 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.493 ' HG2' HG13 ' B' ' 31' ' ' VAL . 8.5 mtm180 -50.49 -24.83 3.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.386 -0.821 . . . . 10.0 110.432 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.287 -0.883 . . . . 10.0 109.89 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.549 HD22 ' CG2' ' A' ' 19' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.165 0.507 . . . . 10.0 110.28 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.45 ' O ' ' C ' ' B' ' 13' ' ' GLU . 53.2 m -39.86 -80.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.285 -0.885 . . . . 10.0 110.519 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.4 mp0 -39.38 -48.97 1.98 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.424 -0.797 . . . . 10.0 110.416 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.1 -40.9 86.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.272 -0.893 . . . . 10.0 110.289 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' B' ' 16' ' ' GLN . 19.6 mt -65.33 -66.55 0.53 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.246 -0.909 . . . . 10.0 110.306 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.534 ' O ' ' CG2' ' B' ' 20' ' ' VAL . 1.2 mt-30 -39.33 -45.89 1.5 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 10.0 110.251 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.497 ' O ' ' HG2' ' B' ' 21' ' ' GLU . . . -53.17 -47.83 60.25 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.472 -1.451 . . . . 10.0 109.472 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.607 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -71.49 -57.2 4.64 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.086 -1.244 . . . . 10.0 109.642 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.517 ' N ' ' CG ' ' B' ' 18' ' ' TYR . 1.9 m -51.42 -26.08 7.37 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.257 -0.902 . . . . 10.0 109.472 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.617 ' O ' ' HB3' ' B' ' 24' ' ' ARG . 10.8 t -74.17 -31.01 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.427 -0.796 . . . . 10.0 110.024 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.607 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.2 mt-10 -74.77 -32.75 62.13 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.198 -0.939 . . . . 10.0 109.753 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.512 HG23 ' CE1' ' B' ' 18' ' ' TYR . 1.5 t -71.04 -42.09 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.575 -0.703 . . . . 10.0 109.947 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.501 ' N ' ' CD1' ' B' ' 23' B LEU . 10.7 mp -80.55 -8.52 59.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.871 . . . . 10.0 109.88 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.617 ' HB3' ' O ' ' B' ' 20' ' ' VAL . 2.0 tpt180 -100.03 -34.87 9.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.353 -0.842 . . . . 10.0 109.951 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.0 pt20 -114.18 -15.97 12.14 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.207 -0.933 . . . . 10.0 110.482 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 42.63 78.96 0.35 Allowed Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 10.0 110.105 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.39 170.92 15.03 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 O-C-N 124.056 1.556 . . . . 10.0 110.597 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.23 -23.35 33.32 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.032 1.543 . . . . 10.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -149.69 124.78 10.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.319 -0.863 . . . . 10.0 109.915 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.543 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.3 OUTLIER -82.23 -65.91 0.95 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.208 -0.932 . . . . 10.0 110.208 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.543 ' C ' ' O ' ' B' ' 30' ' ' LEU . 7.1 t -31.95 -60.62 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.341 -0.849 . . . . 10.0 110.149 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -62.57 -43.04 99.8 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.549 -0.72 . . . . 10.0 110.187 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 30' ' ' LEU . 73.3 t80 -64.05 -43.69 94.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.165 -0.959 . . . . 10.0 109.847 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.599 ' HB2' ' CZ ' ' B' ' 18' ' ' TYR . . . -62.68 -28.98 70.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 10.0 109.982 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.568 HG21 ' CA ' ' A' ' 39' ' ' THR . 2.4 t -83.18 -47.48 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 121.299 -0.875 . . . . 10.0 110.066 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.36 -34.27 46.84 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.287 -0.883 . . . . 10.0 109.903 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.594 ' CD2' ' HB2' ' B' ' 18' ' ' TYR . 4.2 t80 -72.44 -63.52 1.14 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 10.0 110.132 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.474 ' CE1' ' CE2' ' B' ' 37' ' ' TYR . 23.1 m-85 -59.25 -50.62 73.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.198 -0.939 . . . . 10.0 110.118 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.597 ' CA ' HG21 ' A' ' 35' ' ' VAL . 88.6 m -48.81 -45.39 40.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.216 -0.928 . . . . 10.0 109.799 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -75.25 -23.94 57.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.325 -0.859 . . . . 10.0 109.728 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.405 ' O ' HD13 ' B' ' 41' ' ' LEU . 0.4 OUTLIER -54.14 -41.89 68.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.307 -0.871 . . . . 10.0 109.945 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.484 ' NH2' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 O-C-N 121.176 -0.953 . . . . 10.0 110.278 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.516 HD12 ' HG ' ' B' ' 30' ' ' LEU . 14.1 tp . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.177 0.513 . . . . 10.0 110.449 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 14.0 m -56.47 -77.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.248 -0.907 . . . . 10.0 110.197 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.0 tt0 -35.53 -41.53 0.2 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.566 -0.708 . . . . 10.0 110.71 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.15 -64.11 0.94 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.215 -0.928 . . . . 10.0 110.46 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.478 ' HG ' HD13 ' A' ' 11' ' ' LEU . 72.6 mt -66.15 -40.74 90.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.233 -0.917 . . . . 10.0 110.437 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.501 ' HB3' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -59.23 -60.25 4.16 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.013 -1.054 . . . . 10.0 109.416 179.612 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.513 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -46.65 -31.31 5.13 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 108.994 -1.642 . . . . 10.0 108.994 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.708 ' OH ' ' HA ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -62.46 -61.25 2.57 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.291 -1.123 . . . . 10.0 110.255 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.424 ' O ' ' CB ' ' A' ' 23' A LEU . 0.4 OUTLIER -42.96 -30.19 0.39 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.223 -0.923 . . . . 10.0 109.826 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.517 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 6.1 t -75.26 -29.64 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.293 -0.879 . . . . 10.0 110.155 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.513 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -91.19 -59.58 2.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.17 -0.956 . . . . 10.0 109.575 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.598 HG23 ' CE2' ' A' ' 33' ' ' PHE . 4.1 t -48.6 -39.19 10.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.616 -0.677 . . . . 10.0 109.896 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.424 ' CB ' ' O ' ' A' ' 19' ' ' THR . 16.7 tp -72.8 -50.65 22.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.864 . . . . 10.0 110.427 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.517 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -62.6 -58.3 8.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 10.0 110.544 -179.752 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HG3' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -76.53 -22.33 54.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 10.0 110.638 -179.541 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.562 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 1.2 mt-30 41.84 82.26 0.23 Allowed Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.151 -0.968 . . . . 10.0 110.372 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.87 164.5 34.4 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 O-C-N 123.94 1.495 . . . . 10.0 110.439 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.47 -25.82 29.54 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.011 1.532 . . . . 10.0 110.437 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.03 130.39 4.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.923 . . . . 10.0 110.109 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.6 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -63.43 -60.07 3.85 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.214 -0.929 . . . . 10.0 110.436 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 30' ' ' LEU . 11.5 t -26.63 -61.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.51 -0.744 . . . . 10.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.472 ' OD1' ' HD3' ' B' ' 42' ' ' ARG . 0.4 OUTLIER -63.99 -52.91 57.37 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.567 -0.708 . . . . 10.0 110.131 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.638 ' CE2' ' CZ ' ' A' ' 18' ' ' TYR . 89.8 t80 -54.56 -42.45 71.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.272 -0.893 . . . . 10.0 109.81 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.708 ' HA ' ' OH ' ' A' ' 18' ' ' TYR . . . -54.98 -42.45 72.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 10.0 109.824 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.571 HG21 ' N ' ' B' ' 39' ' ' THR . 44.6 t -70.69 -53.42 22.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.363 -0.836 . . . . 10.0 110.648 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -48.9 -57.02 7.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 10.0 110.856 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.507 ' CG ' ' HE1' ' A' ' 18' ' ' TYR . 79.7 t80 -57.46 -74.42 0.06 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.94 . . . . 10.0 110.747 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CG ' ' HB2' ' B' ' 34' ' ' ALA . 24.0 m-85 -47.24 -56.31 6.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 10.0 110.774 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.557 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 54.4 m -42.77 -56.72 3.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.092 -1.005 . . . . 10.0 110.24 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.5 mtt85 -58.98 -26.07 64.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.212 -0.93 . . . . 10.0 109.973 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' PHE . 9.2 tp -75.39 -22.81 57.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 10.0 109.992 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -81.65 -14.95 56.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.342 -0.849 . . . . 10.0 110.015 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.213 -0.929 . . . . 10.0 110.518 -179.83 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.48 HD12 ' HG ' ' A' ' 30' ' ' LEU . 14.0 tp . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.143 0.497 . . . . 10.0 110.392 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.5 ' O ' ' HB3' ' B' ' 16' ' ' GLN . 12.1 m -56.01 -78.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 10.0 110.167 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.0 tt0 -35.43 -41.89 0.2 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.585 -0.697 . . . . 10.0 110.713 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.424 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 2.9 mp -64.68 -64.0 0.98 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 10.0 110.43 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.473 ' HG ' HD13 ' B' ' 11' ' ' LEU . 74.3 mt -66.16 -41.12 90.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.933 . . . . 10.0 110.498 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.5 ' HB3' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -58.77 -60.49 3.75 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.012 -1.055 . . . . 10.0 109.549 179.588 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.507 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -46.4 -31.31 4.77 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.995 -1.642 . . . . 10.0 108.995 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.694 ' OH ' ' HA ' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -62.43 -61.22 2.59 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.293 -1.122 . . . . 10.0 110.281 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.426 ' O ' ' CB ' ' B' ' 23' B LEU . 0.4 OUTLIER -42.94 -30.11 0.38 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.184 -0.948 . . . . 10.0 109.816 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 5.4 t -75.34 -29.92 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.267 -0.896 . . . . 10.0 110.213 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.9 OUTLIER -90.97 -59.24 2.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.168 -0.957 . . . . 10.0 109.525 179.772 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.596 HG23 ' CE2' ' B' ' 33' ' ' PHE . 4.0 t -49.03 -38.92 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.675 -0.64 . . . . 10.0 109.943 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.426 ' CB ' ' O ' ' B' ' 19' ' ' THR . 17.1 tp -73.11 -51.14 19.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.257 -0.902 . . . . 10.0 110.378 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.514 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -62.04 -58.13 9.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.131 -0.98 . . . . 10.0 110.67 -179.719 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.525 ' HG3' ' N ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -76.69 -22.4 54.0 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.185 -0.947 . . . . 10.0 110.637 -179.605 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.562 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 1.2 mt-30 41.97 82.4 0.23 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.211 -0.931 . . . . 10.0 110.294 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -69.96 164.29 35.29 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 124.04 1.547 . . . . 10.0 110.475 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.42 -24.97 30.63 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 O-C-N 123.983 1.517 . . . . 10.0 110.528 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.96 130.54 4.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.362 -0.836 . . . . 10.0 110.031 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.601 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.6 OUTLIER -63.71 -60.56 3.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.909 . . . . 10.0 110.392 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.601 ' C ' ' O ' ' B' ' 30' ' ' LEU . 10.9 t -26.03 -60.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.55 -0.719 . . . . 10.0 110.39 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.54 -52.7 56.37 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.542 -0.724 . . . . 10.0 110.123 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.639 ' CE2' ' CZ ' ' B' ' 18' ' ' TYR . 89.6 t80 -54.71 -42.15 71.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.944 . . . . 10.0 109.688 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.694 ' HA ' ' OH ' ' B' ' 18' ' ' TYR . . . -55.05 -43.12 73.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.33 -0.856 . . . . 10.0 109.75 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' B' ' 39' ' ' THR . 42.8 t -70.22 -53.5 22.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.316 -0.865 . . . . 10.0 110.659 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -48.79 -57.89 5.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.208 -0.932 . . . . 10.0 110.967 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.509 ' CG ' ' HE1' ' B' ' 18' ' ' TYR . 78.9 t80 -56.63 -74.15 0.05 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.189 -0.944 . . . . 10.0 110.823 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.632 ' CG ' ' HB2' ' A' ' 34' ' ' ALA . 24.1 m-85 -47.59 -56.19 7.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.29 -0.881 . . . . 10.0 110.859 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.571 ' N ' HG21 ' A' ' 35' ' ' VAL . 54.5 m -42.66 -56.64 3.06 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.146 -0.971 . . . . 10.0 110.237 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -59.09 -25.63 63.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.17 -0.956 . . . . 10.0 110.033 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.467 ' HB3' HG11 ' A' ' 31' ' ' VAL . 9.3 tp -75.87 -22.85 55.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.21 -0.931 . . . . 10.0 109.965 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.472 ' HD3' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.324 -0.86 . . . . 10.0 109.979 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.557 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 120.971 0.415 . . . . 10.0 110.397 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.51 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 18.8 m -35.62 -62.22 0.42 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.453 -0.779 . . . . 10.0 110.196 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.5 tt0 -41.36 -49.77 3.79 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.487 -0.758 . . . . 10.0 110.292 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 2.6 mp -56.09 -68.24 0.22 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.203 -0.935 . . . . 10.0 110.424 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -57.74 -58.42 8.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.19 -0.944 . . . . 10.0 110.391 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 12' ' ' THR . 2.2 tt0 -40.56 -43.92 1.98 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.167 -0.958 . . . . 10.0 109.815 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.472 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -52.3 -60.77 7.31 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 108.796 -1.722 . . . . 10.0 108.796 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -39.0 -56.3 1.43 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.499 -1.001 . . . . 10.0 110.138 179.465 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -47.76 -40.03 19.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.469 -0.769 . . . . 10.0 110.351 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.781 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 99.1 t -77.35 -20.69 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.183 -0.948 . . . . 10.0 110.751 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.545 ' HG3' ' CA ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -92.72 -52.1 4.78 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.857 -1.152 . . . . 10.0 109.899 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 18' ' ' TYR . 3.1 t -59.72 -28.73 41.18 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.623 -0.673 . . . . 10.0 110.049 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' A LEU . . . . . . . . . . . . . 13.9 tp -88.81 -31.45 18.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 10.0 110.095 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.781 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -96.88 35.46 1.54 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 10.0 110.387 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.548 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -175.08 -34.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 10.0 110.465 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER 40.97 79.94 0.3 Allowed Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.359 -0.838 . . . . 10.0 110.224 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.635 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -70.44 170.72 16.72 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 O-C-N 124.025 1.539 . . . . 10.0 110.684 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.83 -24.68 29.07 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 O-C-N 124.02 1.537 . . . . 10.0 110.467 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -142.19 132.04 24.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 10.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.568 ' CD1' ' HG ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -86.0 -67.85 0.78 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.206 -0.934 . . . . 10.0 110.277 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.542 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.7 t -34.04 -66.4 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.312 -0.867 . . . . 10.0 109.706 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.471 ' OD2' ' HD3' ' B' ' 42' ' ' ARG . 5.3 t0 -50.51 -44.04 55.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.674 -0.641 . . . . 10.0 109.527 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.635 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 0.7 OUTLIER -57.06 -63.06 1.34 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.229 -0.919 . . . . 10.0 109.057 178.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 18' ' ' TYR . . . -44.84 -29.95 0.89 Allowed 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.511 -0.743 . . . . 10.0 109.84 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.565 ' CG2' ' N ' ' B' ' 39' ' ' THR . 2.7 t -81.26 -52.77 13.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.338 -0.851 . . . . 10.0 109.764 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.515 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.5 mm-40 -53.12 -45.15 68.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.363 -0.835 . . . . 10.0 110.276 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -64.89 -70.35 0.24 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 10.0 110.579 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.447 ' HB3' HG23 ' B' ' 35' ' ' VAL . 19.2 m-85 -53.19 -48.17 68.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.262 -0.899 . . . . 10.0 110.531 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.532 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 37.2 m -51.17 -48.4 61.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.045 -1.034 . . . . 10.0 109.934 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -65.08 -23.53 67.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.251 -0.906 . . . . 10.0 109.926 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 41' ' ' LEU . 6.8 tp -72.77 -28.4 62.58 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.29 -0.881 . . . . 10.0 110.153 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.486 ' HG2' HG13 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -67.39 -21.37 65.61 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.16 -0.963 . . . . 10.0 110.1 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.259 -0.901 . . . . 10.0 110.33 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.568 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.052 0.453 . . . . 10.0 110.375 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 18.6 m -34.7 -62.77 0.34 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.371 -0.831 . . . . 10.0 110.295 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.2 tt0 -40.76 -50.15 3.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.517 -0.74 . . . . 10.0 110.291 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 2.5 mp -55.86 -69.39 0.14 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.336 -0.852 . . . . 10.0 110.429 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' B' ' 16' ' ' GLN . 0.8 OUTLIER -56.56 -58.36 8.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.18 -0.95 . . . . 10.0 110.349 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.0 tt0 -40.64 -44.25 2.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.195 -0.941 . . . . 10.0 109.906 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -52.31 -60.23 7.99 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.732 -1.747 . . . . 10.0 108.732 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.572 ' CZ ' ' HB3' ' B' ' 34' ' ' ALA . 0.9 OUTLIER -39.23 -56.63 1.48 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.457 -1.026 . . . . 10.0 110.153 179.522 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -47.69 -39.33 17.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.473 -0.767 . . . . 10.0 110.283 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.794 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 93.2 t -77.64 -21.15 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 10.0 110.714 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.549 ' HG3' ' CA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -92.41 -51.54 5.09 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.836 -1.165 . . . . 10.0 109.971 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.441 HG21 ' O ' ' B' ' 18' ' ' TYR . 3.3 t -60.04 -30.68 46.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.549 -0.719 . . . . 10.0 110.164 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' B LEU . . . . . . . . . . . . . 13.0 tp -87.57 -30.7 20.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.232 -0.918 . . . . 10.0 110.218 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.794 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -97.14 35.36 1.6 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.088 -1.007 . . . . 10.0 110.39 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.543 ' CG ' ' HD3' ' B' ' 27' ' ' PRO . 0.3 OUTLIER -175.26 -33.75 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.173 -0.954 . . . . 10.0 110.415 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.1 OUTLIER 40.9 79.9 0.3 Allowed Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.335 -0.853 . . . . 10.0 110.207 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.636 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 44.3 Cg_endo -70.41 170.67 16.78 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 O-C-N 124.026 1.54 . . . . 10.0 110.605 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.98 -24.32 28.82 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 O-C-N 123.994 1.523 . . . . 10.0 110.507 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -142.51 131.84 23.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.873 . . . . 10.0 110.208 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.56 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 0.4 OUTLIER -85.88 -67.84 0.78 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.272 -0.892 . . . . 10.0 110.23 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.539 ' C ' ' O ' ' B' ' 30' ' ' LEU . 13.9 t -34.25 -66.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.324 -0.86 . . . . 10.0 109.736 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -50.51 -43.75 55.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.582 -0.699 . . . . 10.0 109.562 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.636 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 0.8 OUTLIER -57.27 -63.03 1.36 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 10.0 108.986 178.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.572 ' HB3' ' CZ ' ' B' ' 18' ' ' TYR . . . -44.66 -30.28 0.9 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.497 -0.752 . . . . 10.0 109.786 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.525 ' O ' ' HB ' ' B' ' 39' ' ' THR . 2.7 t -81.07 -52.69 13.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.249 -0.907 . . . . 10.0 109.819 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 1.4 mm-40 -53.08 -45.57 68.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.855 . . . . 10.0 110.4 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -64.57 -70.23 0.24 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 10.0 110.564 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.454 ' HB3' HG23 ' A' ' 35' ' ' VAL . 19.6 m-85 -53.28 -48.04 68.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 10.0 110.546 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.565 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 40.1 m -51.04 -48.48 61.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.972 -1.08 . . . . 10.0 109.827 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -65.02 -23.61 67.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.364 -0.835 . . . . 10.0 110.019 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' B' ' 41' ' ' LEU . 6.8 tp -72.65 -28.07 62.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.347 -0.846 . . . . 10.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.471 ' HD3' ' OD2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 10.0 110.081 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.534 ' O ' HD13 ' A' ' 11' ' ' LEU . 6.6 tp . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 121.333 0.587 . . . . 10.0 110.083 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 11' ' ' LEU . 1.3 m -41.32 -26.73 0.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 10.0 110.09 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' LEU . 33.6 tp10 -68.32 -66.01 0.62 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.236 -0.915 . . . . 10.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 mt -44.77 -42.67 7.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.233 -0.917 . . . . 10.0 110.21 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.937 ' HG ' ' HG ' ' B' ' 15' ' ' LEU . 3.0 tm? -61.34 -71.82 0.13 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.209 -0.932 . . . . 10.0 110.221 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.551 ' N ' HD11 ' A' ' 15' ' ' LEU . 1.3 mt-30 -38.36 -29.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.406 -0.809 . . . . 10.0 110.016 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.572 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -79.9 -43.23 10.11 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.315 -1.514 . . . . 10.0 109.315 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -70.23 -40.7 74.33 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.141 -1.211 . . . . 10.0 109.766 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.464 ' OG1' ' CD2' ' B' ' 11' ' ' LEU . 1.9 m -66.77 -31.99 73.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.071 -1.018 . . . . 10.0 109.732 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 16' ' ' GLN . 17.7 t -69.12 -26.15 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.264 -0.898 . . . . 10.0 109.999 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.574 ' OE2' ' CD1' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -75.13 -31.05 60.98 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.224 -0.922 . . . . 10.0 109.284 179.353 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.474 HG22 ' CE1' ' A' ' 33' ' ' PHE . 1.6 t -76.49 -22.13 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.633 -0.667 . . . . 10.0 110.413 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.542 HD13 ' N ' ' A' ' 23' A LEU . 0.1 OUTLIER -89.82 -25.77 20.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.23 -0.919 . . . . 10.0 110.469 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.61 -14.85 41.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.897 . . . . 10.0 110.167 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.483 ' NE2' ' CE2' ' A' ' 33' ' ' PHE . 5.5 pt20 -126.58 -33.75 2.51 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.184 -0.947 . . . . 10.0 110.112 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 25' ' ' GLN . 1.2 mt-30 51.06 78.05 0.42 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.354 -0.841 . . . . 10.0 110.575 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.459 ' HD3' ' CG ' ' A' ' 25' ' ' GLN . 44.6 Cg_endo -70.29 166.72 27.33 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 O-C-N 123.958 1.504 . . . . 10.0 110.485 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.57 -5.19 15.5 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.994 1.523 . . . . 10.0 110.221 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.527 ' OD2' ' CB ' ' A' ' 32' ' ' ASP . 19.3 p-10 -165.66 126.57 1.88 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.823 . . . . 10.0 109.817 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.6 ' O ' ' C ' ' A' ' 31' ' ' VAL . 42.3 tp -79.04 -71.15 0.46 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.137 -0.977 . . . . 10.0 110.781 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 30' ' ' LEU . 18.4 t -21.35 -61.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 CA-C-O 121.698 0.761 . . . . 10.0 110.508 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.542 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -63.07 -50.8 69.15 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.62 -0.675 . . . . 10.0 110.021 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.563 ' N ' ' O ' ' A' ' 30' ' ' LEU . 35.4 t80 -55.87 -50.2 71.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.897 -1.127 . . . . 10.0 109.178 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.05 -30.52 2.74 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.386 -0.821 . . . . 10.0 109.506 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.6 HG21 ' CA ' ' B' ' 39' ' ' THR . 2.8 t -78.69 -51.65 16.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 O-C-N 121.478 -0.764 . . . . 10.0 109.566 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -46.41 -36.21 6.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.246 -0.909 . . . . 10.0 109.758 179.658 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.574 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 28.3 t80 -71.01 -66.12 0.65 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.925 . . . . 10.0 110.038 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HB2' HG23 ' B' ' 35' ' ' VAL . 35.1 m-85 -60.77 -50.23 74.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.217 -0.927 . . . . 10.0 109.958 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.611 ' OG1' HG21 ' B' ' 35' ' ' VAL . 51.5 m -48.91 -40.22 29.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.297 -0.877 . . . . 10.0 109.783 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 3.1 ttp85 -83.05 -25.15 32.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.353 -0.842 . . . . 10.0 109.988 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.526 ' O ' ' C ' ' A' ' 42' ' ' ARG . 11.3 tp -50.5 -55.53 15.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 10.0 110.037 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.531 ' CG ' ' O ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -37.2 -40.37 0.32 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.259 -0.901 . . . . 10.0 109.615 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' OE1' ' HA ' ' A' ' 40' ' ' ARG . 1.5 mt-10 . . . . . 0 N--CA 1.489 1.48 0 O-C-N 121.479 -0.763 . . . . 10.0 109.679 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.544 HD13 ' O ' ' B' ' 11' ' ' LEU . 6.2 tp . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.21 0.529 . . . . 10.0 110.009 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.428 ' C ' ' O ' ' B' ' 11' ' ' LEU . 1.3 m -40.95 -26.87 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.278 -0.889 . . . . 10.0 110.016 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' LEU . 33.2 tp10 -68.23 -65.9 0.64 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.261 -0.899 . . . . 10.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 13' ' ' GLU . 54.3 mt -44.86 -42.24 7.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 10.0 110.129 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.937 ' HG ' ' HG ' ' A' ' 15' ' ' LEU . 3.0 tm? -61.41 -71.83 0.14 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.249 -0.907 . . . . 10.0 110.181 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.556 ' N ' HD11 ' B' ' 15' ' ' LEU . 1.5 mt-30 -38.71 -28.74 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.423 -0.798 . . . . 10.0 110.024 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.569 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -80.07 -43.62 9.63 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.357 -1.497 . . . . 10.0 109.357 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' B' ' 18' ' ' TYR . 0.0 OUTLIER -70.32 -40.14 74.36 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.192 -1.181 . . . . 10.0 109.759 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.492 ' OG1' ' CD2' ' A' ' 11' ' ' LEU . 2.0 m -67.19 -32.15 73.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.124 -0.985 . . . . 10.0 109.643 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' B' ' 16' ' ' GLN . 16.8 t -68.92 -26.38 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.358 -0.839 . . . . 10.0 110.075 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.575 ' OE2' ' CD1' ' B' ' 37' ' ' TYR . 0.7 OUTLIER -74.9 -31.32 61.54 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.168 -0.958 . . . . 10.0 109.236 179.397 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.474 HG22 ' CE1' ' B' ' 33' ' ' PHE . 1.6 t -76.33 -21.92 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.591 -0.693 . . . . 10.0 110.413 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.534 ' N ' HD13 ' B' ' 23' B LEU . 0.1 OUTLIER -89.92 -25.96 20.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.13 -0.981 . . . . 10.0 110.401 -179.761 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -14.92 41.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.107 -0.995 . . . . 10.0 110.181 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.489 ' NE2' ' CE2' ' B' ' 33' ' ' PHE . 5.5 pt20 -126.4 -33.73 2.55 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.205 -0.934 . . . . 10.0 110.123 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' B' ' 25' ' ' GLN . 1.2 mt-30 50.95 78.2 0.41 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.39 -0.819 . . . . 10.0 110.524 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.455 ' HD3' ' CG ' ' B' ' 25' ' ' GLN . 44.0 Cg_endo -70.41 166.55 28.04 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 O-C-N 123.891 1.469 . . . . 10.0 110.445 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.62 -4.93 14.92 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 124.039 1.547 . . . . 10.0 110.282 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.528 ' OD2' ' CB ' ' B' ' 32' ' ' ASP . 19.4 p-10 -165.7 126.03 1.8 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.468 -0.77 . . . . 10.0 109.795 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.601 ' O ' ' C ' ' B' ' 31' ' ' VAL . 41.1 tp -78.6 -71.18 0.45 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 10.0 110.673 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.601 ' C ' ' O ' ' B' ' 30' ' ' LEU . 18.1 t -21.37 -61.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.561 -0.712 . . . . 10.0 110.457 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.542 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 0.6 OUTLIER -63.08 -50.69 69.58 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.75 -0.594 . . . . 10.0 110.061 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.563 ' N ' ' O ' ' B' ' 30' ' ' LEU . 35.4 t80 -55.98 -50.17 71.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.965 -1.084 . . . . 10.0 109.2 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.11 -30.41 2.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.394 -0.816 . . . . 10.0 109.506 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.611 HG21 ' OG1' ' A' ' 39' ' ' THR . 3.0 t -78.89 -51.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 O-C-N 121.33 -0.856 . . . . 10.0 109.69 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.501 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -46.43 -36.02 6.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 10.0 109.734 179.624 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.575 ' CD1' ' OE2' ' B' ' 21' ' ' GLU . 29.1 t80 -71.21 -66.24 0.64 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.328 -0.857 . . . . 10.0 110.073 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.428 ' HB2' HG23 ' A' ' 35' ' ' VAL . 34.4 m-85 -60.69 -50.47 73.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.272 -0.892 . . . . 10.0 109.874 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.6 ' CA ' HG21 ' A' ' 35' ' ' VAL . 56.1 m -48.87 -39.7 26.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.275 -0.891 . . . . 10.0 109.892 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 3.3 ttp85 -83.31 -25.42 31.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.33 -0.856 . . . . 10.0 109.836 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.525 ' O ' ' C ' ' B' ' 42' ' ' ARG . 11.1 tp -49.94 -55.83 13.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.297 -0.877 . . . . 10.0 109.986 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.525 ' C ' ' O ' ' B' ' 41' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 O-C-N 121.356 -0.84 . . . . 10.0 109.579 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.328 0.585 . . . . 10.0 110.156 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 13' ' ' GLU . 1.8 m -61.71 -66.31 0.56 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 10.0 110.35 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.7 pt-20 -35.2 -48.85 0.46 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.591 -0.693 . . . . 10.0 110.691 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.489 HD11 HD21 ' B' ' 30' ' ' LEU . 1.0 OUTLIER -55.71 -62.42 1.7 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.202 -0.936 . . . . 10.0 110.126 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' GLN . 11.9 mt -64.74 -56.63 12.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 10.0 110.155 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.8 tt0 -42.27 -57.98 2.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.224 -0.922 . . . . 10.0 109.829 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -46.41 -50.41 13.64 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.753 -1.739 . . . . 10.0 108.753 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.598 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.6 OUTLIER -41.96 -63.07 0.79 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.338 -1.095 . . . . 10.0 109.946 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.535 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -47.24 -24.84 0.8 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.429 -0.795 . . . . 10.0 110.128 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.464 HG22 HG23 ' A' ' 19' ' ' THR . 16.4 t -89.66 -33.8 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.243 -0.91 . . . . 10.0 110.438 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.598 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.82 -44.41 55.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.097 -1.002 . . . . 10.0 108.897 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' A' ' 26' ' ' GLN . 16.8 t -63.36 -52.64 55.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.878 -0.514 . . . . 10.0 110.026 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 19' ' ' THR . 2.1 tp -55.62 -27.05 47.49 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.222 -0.923 . . . . 10.0 109.933 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -65.95 -13.43 59.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.373 -0.829 . . . . 10.0 110.239 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.566 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -158.55 14.44 0.19 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.201 -0.937 . . . . 10.0 110.741 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.566 ' C ' ' O ' ' A' ' 25' ' ' GLN . 49.2 mt-30 26.24 55.9 0.4 Allowed Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.389 -0.819 . . . . 10.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.48 ' HD3' ' HG3' ' A' ' 25' ' ' GLN . 44.3 Cg_endo -70.93 119.56 6.4 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 O-C-N 123.882 1.464 . . . . 10.0 110.784 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -70.19 -0.95 8.03 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 O-C-N 123.979 1.515 . . . . 10.0 110.274 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.537 ' O ' ' C ' ' A' ' 30' ' ' LEU . 2.0 m-20 -100.46 27.93 5.41 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.299 -0.876 . . . . 10.0 110.254 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.537 ' C ' ' O ' ' A' ' 29' ' ' ASP . 2.1 tp -29.91 -61.72 0.15 Allowed 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.028 0.442 . . . . 10.0 110.333 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 30' ' ' LEU . 16.6 t -41.29 -67.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.275 -0.89 . . . . 10.0 109.18 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.523 ' OD1' ' NH1' ' B' ' 42' ' ' ARG . 6.6 t0 -49.27 -48.63 45.77 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.47 ' O ' ' C ' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -49.45 -58.9 4.3 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.634 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.535 ' CA ' ' OH ' ' A' ' 18' ' ' TYR . . . -40.66 -51.86 2.97 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.923 -0.711 . . . . 10.0 109.607 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.647 ' O ' ' HB ' ' A' ' 39' ' ' THR . 4.1 t -65.37 -56.23 16.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.291 -0.881 . . . . 10.0 109.791 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -39.73 -58.34 1.36 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.333 -0.854 . . . . 10.0 110.507 179.73 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.592 ' CE1' HD22 ' A' ' 41' ' ' LEU . 7.5 t80 -63.57 -76.96 0.06 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.29 -0.881 . . . . 10.0 110.527 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' LEU . 17.9 m-85 -41.95 -60.57 1.36 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.294 -0.878 . . . . 10.0 110.768 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.647 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 17.1 m -39.91 -49.05 2.41 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.11 -0.994 . . . . 10.0 109.756 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -39.82 68.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 10.0 109.336 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.592 HD22 ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -69.13 -22.17 63.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.5 -0.75 . . . . 10.0 109.577 179.439 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HD3' ' CG ' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -71.62 -29.43 64.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.321 -0.862 . . . . 10.0 109.594 179.458 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.434 -0.791 . . . . 10.0 110.052 179.744 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.274 0.559 . . . . 10.0 110.128 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.496 ' O ' ' C ' ' B' ' 13' ' ' GLU . 1.8 m -61.67 -65.91 0.62 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.377 -0.827 . . . . 10.0 110.424 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' B' ' 12' ' ' THR . 4.7 pt-20 -35.64 -47.99 0.5 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.601 -0.687 . . . . 10.0 110.577 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.458 HD11 HD21 ' A' ' 30' ' ' LEU . 1.1 mt -56.67 -61.7 2.24 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.099 -1.001 . . . . 10.0 110.137 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' B' ' 16' ' ' GLN . 11.7 mt -65.35 -56.68 11.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.22 -0.925 . . . . 10.0 110.081 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' B' ' 15' ' ' LEU . 1.7 tt0 -42.08 -57.8 2.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 10.0 109.862 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' B' ' 20' ' ' VAL . . . -46.55 -50.16 14.55 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 108.854 -1.698 . . . . 10.0 108.854 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.596 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.6 OUTLIER -42.29 -62.94 0.84 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.464 -1.021 . . . . 10.0 109.869 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -47.19 -24.82 0.77 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.375 -0.828 . . . . 10.0 110.229 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.465 HG22 HG23 ' B' ' 19' ' ' THR . 16.9 t -89.85 -34.23 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.157 -0.964 . . . . 10.0 110.546 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.596 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.5 OUTLIER -73.26 -44.09 59.95 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.184 -0.948 . . . . 10.0 108.876 179.525 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' B' ' 26' ' ' GLN . 19.0 t -63.75 -52.88 51.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.899 -0.5 . . . . 10.0 110.102 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.531 ' HB2' ' O ' ' B' ' 19' ' ' THR . 2.0 tp -55.39 -26.33 40.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.26 -0.9 . . . . 10.0 109.975 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.479 ' HB2' ' O ' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -66.61 -13.2 60.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.298 -0.876 . . . . 10.0 110.265 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.57 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -158.87 14.66 0.17 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.214 -0.929 . . . . 10.0 110.819 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.57 ' C ' ' O ' ' B' ' 25' ' ' GLN . 48.1 mt-30 25.71 56.19 0.38 Allowed Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.391 -0.818 . . . . 10.0 110.86 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.483 ' HD3' ' HG3' ' B' ' 25' ' ' GLN . 45.3 Cg_endo -71.1 119.65 6.45 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 O-C-N 124.026 1.54 . . . . 10.0 110.73 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -70.05 -1.17 8.27 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 123.921 1.485 . . . . 10.0 110.353 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.537 ' O ' ' C ' ' B' ' 30' ' ' LEU . 1.9 m-20 -100.39 27.77 5.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.406 -0.809 . . . . 10.0 110.224 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.537 ' C ' ' O ' ' B' ' 29' ' ' ASP . 2.2 tp -29.73 -61.55 0.15 Allowed 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.148 0.499 . . . . 10.0 110.333 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.5 HG12 ' HB3' ' A' ' 41' ' ' LEU . 17.3 t -41.25 -67.75 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.25 -0.907 . . . . 10.0 109.237 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.466 ' CG ' ' HD3' ' A' ' 42' ' ' ARG . 6.7 t0 -49.26 -48.5 45.77 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 109.218 -0.66 . . . . 10.0 109.218 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.473 ' HD1' ' C ' ' B' ' 33' ' ' PHE . 0.5 OUTLIER -49.63 -58.66 4.84 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.601 -0.889 . . . . 10.0 108.601 178.697 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.531 ' N ' ' OH ' ' B' ' 18' ' ' TYR . . . -40.67 -51.76 2.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.402 -0.811 . . . . 10.0 109.645 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.655 ' O ' ' HB ' ' B' ' 39' ' ' THR . 3.9 t -65.58 -56.42 15.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.135 -0.978 . . . . 10.0 109.679 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 35' ' ' VAL . 0.8 OUTLIER -39.67 -58.09 1.39 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.415 -0.803 . . . . 10.0 110.406 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.588 ' CE1' HD22 ' B' ' 41' ' ' LEU . 7.5 t80 -63.93 -76.84 0.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -0.889 . . . . 10.0 110.557 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' B' ' 41' ' ' LEU . 17.4 m-85 -42.0 -60.57 1.37 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.295 -0.878 . . . . 10.0 110.652 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.655 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 16.7 m -40.18 -48.44 2.55 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.075 -1.016 . . . . 10.0 109.779 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -39.41 69.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 10.0 109.385 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.588 HD22 ' CE1' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -69.52 -22.36 63.59 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.57 -0.706 . . . . 10.0 109.585 179.416 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.523 ' NH1' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 10.0 109.431 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.498 ' CD2' ' OH ' ' B' ' 18' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.251 0.548 . . . . 10.0 110.276 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 13' ' ' GLU . 24.5 m -68.34 -68.7 0.37 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.269 -0.895 . . . . 10.0 110.117 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.5 mt-10 -36.91 -46.81 0.66 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.587 -0.696 . . . . 10.0 110.344 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.524 HD21 HD23 ' A' ' 41' ' ' LEU . 34.4 mt -62.67 -56.38 18.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 10.0 110.095 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.523 HD13 ' CD2' ' B' ' 15' ' ' LEU . 0.1 OUTLIER -45.53 -71.52 0.07 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.314 -0.866 . . . . 10.0 110.163 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.52 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 3.2 mp0 -42.11 -46.02 4.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.898 . . . . 10.0 109.964 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -57.77 -46.18 92.59 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.467 -1.453 . . . . 10.0 109.467 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.648 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -72.47 -45.39 59.73 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.047 -1.266 . . . . 10.0 109.481 179.684 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.477 ' HA ' HG21 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -58.41 -30.86 67.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -0.906 . . . . 10.0 109.583 179.445 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 16' ' ' GLN . 76.4 t -72.48 -29.6 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 10.0 109.983 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.648 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.5 mt-10 -72.86 -27.65 62.04 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 119.481 -0.888 . . . . 10.0 109.205 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.477 HG21 ' HA ' ' A' ' 19' ' ' THR . 1.7 t -74.22 -35.03 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.719 -0.613 . . . . 10.0 109.894 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' A LEU . . . . . . . . . . . . . 80.9 mt -84.13 -18.13 37.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.881 . . . . 10.0 109.877 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -92.14 -66.54 0.92 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.403 -0.81 . . . . 10.0 110.18 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' OE1' ' CZ ' ' A' ' 33' ' ' PHE . 3.0 pt20 -81.07 -22.17 39.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 10.0 110.205 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER 41.09 81.88 0.24 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.361 -0.837 . . . . 10.0 110.016 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.605 ' HG3' ' CG ' ' A' ' 33' ' ' PHE . 44.0 Cg_endo -69.9 171.96 13.65 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 O-C-N 123.937 1.493 . . . . 10.0 110.619 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.403 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 43.1 Cg_endo -69.5 -45.09 1.87 Allowed 'Trans proline' 0 C--N 1.304 -1.803 0 O-C-N 124.107 1.582 . . . . 10.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.403 ' OD1' ' HB2' ' A' ' 28' ' ' PRO . 3.8 m-20 -128.77 124.45 35.52 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 10.0 110.019 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.566 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -69.99 -67.78 0.46 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.268 -0.895 . . . . 10.0 110.176 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.566 ' C ' ' O ' ' A' ' 30' ' ' LEU . 6.5 t -27.28 -61.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.751 . . . . 10.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.61 -47.44 83.78 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.522 -0.736 . . . . 10.0 109.93 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.605 ' CG ' ' HG3' ' A' ' 27' ' ' PRO . 69.4 t80 -60.29 -55.31 35.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.231 -0.918 . . . . 10.0 109.484 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 18' ' ' TYR . . . -55.4 -25.61 36.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.296 -0.878 . . . . 10.0 109.688 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.541 HG22 ' N ' ' B' ' 39' ' ' THR . 2.2 t -83.96 -46.64 18.09 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 O-C-N 121.319 -0.863 . . . . 10.0 109.692 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -58.63 -42.11 87.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -0.818 . . . . 10.0 109.804 179.673 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.495 ' O ' HD13 ' A' ' 41' ' ' LEU . 55.5 t80 -65.11 -67.75 0.41 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.881 . . . . 10.0 109.926 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.433 ' C ' ' CG2' ' B' ' 35' ' ' VAL . 7.2 m-85 -49.31 -47.13 47.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.261 -0.9 . . . . 10.0 110.206 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.529 ' N ' HG22 ' B' ' 35' ' ' VAL . 3.3 m -55.16 -38.99 68.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.189 -0.944 . . . . 10.0 110.059 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -65.79 -34.96 79.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.942 . . . . 10.0 109.993 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.524 HD23 HD21 ' A' ' 14' ' ' LEU . 9.9 mp -65.26 -42.16 93.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.298 -0.876 . . . . 10.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -66.98 -25.15 66.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 10.0 109.822 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 1.2 tp10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.367 -0.833 . . . . 10.0 109.635 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.484 ' O ' HD21 ' B' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 121.247 0.546 . . . . 10.0 110.195 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.48 ' O ' ' C ' ' B' ' 13' ' ' GLU . 24.8 m -68.76 -68.27 0.41 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.173 -0.955 . . . . 10.0 110.156 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.4 mt-10 -37.6 -47.24 0.92 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.546 -0.721 . . . . 10.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.519 HD21 HD23 ' B' ' 41' ' ' LEU . 35.7 mt -62.29 -56.48 18.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.325 -0.859 . . . . 10.0 110.1 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.523 ' CD2' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -45.13 -71.84 0.07 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 10.0 110.118 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.52 ' O ' ' CG2' ' B' ' 20' ' ' VAL . 3.1 mp0 -42.09 -45.86 4.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.295 -0.878 . . . . 10.0 109.998 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -57.58 -46.26 92.27 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.407 -1.477 . . . . 10.0 109.407 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.656 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.1 OUTLIER -72.25 -45.54 59.74 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.188 -1.183 . . . . 10.0 109.617 179.595 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.482 ' HA ' HG21 ' B' ' 22' ' ' VAL . 0.8 OUTLIER -58.42 -30.87 67.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.301 -0.874 . . . . 10.0 109.572 179.487 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' B' ' 16' ' ' GLN . 75.1 t -72.37 -29.81 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 10.0 109.916 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.656 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.5 mt-10 -72.6 -27.66 62.31 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.176 -0.953 . . . . 10.0 109.197 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.482 HG21 ' HA ' ' B' ' 19' ' ' THR . 1.7 t -74.12 -35.24 40.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.629 -0.669 . . . . 10.0 109.995 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' B LEU . . . . . . . . . . . . . 81.0 mt -83.99 -17.78 39.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.277 -0.889 . . . . 10.0 109.916 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -92.61 -66.56 0.92 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.33 -0.857 . . . . 10.0 110.123 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.9 pt20 -80.97 -22.08 39.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.869 . . . . 10.0 110.208 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.3 OUTLIER 40.81 82.03 0.23 Allowed Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.271 -0.893 . . . . 10.0 110.012 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.61 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 44.0 Cg_endo -69.9 172.02 13.54 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 O-C-N 124.066 1.561 . . . . 10.0 110.685 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.53 -44.57 2.15 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 O-C-N 124.07 1.563 . . . . 10.0 110.501 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.42 125.15 35.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.24 -0.913 . . . . 10.0 110.1 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.569 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.2 OUTLIER -70.45 -68.16 0.45 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.904 . . . . 10.0 110.199 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.569 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.3 t -26.95 -61.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.576 -0.702 . . . . 10.0 110.313 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.52 -47.71 82.73 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.637 -0.664 . . . . 10.0 109.939 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.61 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 69.5 t80 -60.07 -55.29 35.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.218 -0.926 . . . . 10.0 109.553 179.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.484 ' HB2' ' CZ ' ' B' ' 18' ' ' TYR . . . -55.46 -25.8 38.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.316 -0.865 . . . . 10.0 109.69 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.529 HG22 ' N ' ' A' ' 39' ' ' THR . 2.2 t -83.46 -46.82 18.42 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 O-C-N 121.431 -0.793 . . . . 10.0 109.584 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' B' ' 37' ' ' TYR . 0.5 OUTLIER -58.71 -42.36 88.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 10.0 109.896 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.493 ' O ' HD13 ' B' ' 41' ' ' LEU . 54.1 t80 -64.7 -68.08 0.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 10.0 109.966 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.407 ' C ' ' CG2' ' A' ' 35' ' ' VAL . 7.9 m-85 -49.26 -46.79 46.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.275 -0.891 . . . . 10.0 110.212 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.541 ' N ' HG22 ' A' ' 35' ' ' VAL . 3.3 m -55.22 -38.54 68.57 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 10.0 110.068 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.0 ttt-85 -66.5 -35.49 80.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.326 -0.859 . . . . 10.0 109.949 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.519 HD23 HD21 ' B' ' 14' ' ' LEU . 10.0 mp -64.61 -42.56 95.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.909 . . . . 10.0 110.124 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.437 ' HA ' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.919 . . . . 10.0 109.863 179.8 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.578 ' N ' HD21 ' A' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.213 0.53 . . . . 10.0 110.04 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 16.3 m -41.93 -74.72 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.279 -0.888 . . . . 10.0 110.06 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.1 tt0 -35.45 -51.87 0.63 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.634 -0.666 . . . . 10.0 110.274 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.2 mt -67.25 -64.74 0.79 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.154 -0.966 . . . . 10.0 110.038 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 18' ' ' TYR . 22.5 mt -50.95 -57.21 9.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 10.0 110.032 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 12' ' ' THR . 2.7 tt0 -43.9 -57.44 3.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.185 -0.947 . . . . 10.0 109.763 179.73 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.532 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -48.28 -48.42 26.8 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 108.705 -1.758 . . . . 10.0 108.705 179.499 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.588 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -39.13 -61.13 0.8 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.498 -1.001 . . . . 10.0 110.129 179.457 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -50.87 -45.24 59.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.365 -0.834 . . . . 10.0 109.726 179.921 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 t -60.97 -27.4 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 10.0 110.304 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -87.4 -56.23 3.45 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.307 -0.871 . . . . 10.0 109.859 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 2.7 t -57.31 -20.22 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.692 -0.63 . . . . 10.0 110.468 -179.641 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 19' ' ' THR . 6.2 mp -85.78 -46.56 10.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.089 -1.007 . . . . 10.0 109.837 179.566 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -54.33 18.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.348 -0.845 . . . . 10.0 110.102 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 26' ' ' GLN . 9.4 mm-40 -77.93 -28.45 49.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 10.0 110.281 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 2.0 tt0 38.12 70.61 1.22 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.38 -0.825 . . . . 10.0 110.315 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.593 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 43.7 Cg_endo -69.68 164.5 34.22 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 O-C-N 124.044 1.549 . . . . 10.0 110.507 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.41 -38.9 7.89 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 O-C-N 123.994 1.523 . . . . 10.0 110.269 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -127.8 148.17 50.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.376 -0.828 . . . . 10.0 109.895 179.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -89.88 -56.18 3.34 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.23 -0.919 . . . . 10.0 110.149 -179.658 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 30' ' ' LEU . 16.7 t -34.56 -59.5 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.421 -0.8 . . . . 10.0 109.894 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -59.47 -48.59 81.05 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.785 -0.572 . . . . 10.0 110.144 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.593 ' CD1' ' HG3' ' A' ' 27' ' ' PRO . 66.2 t80 -55.89 -33.67 64.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.123 -0.986 . . . . 10.0 109.505 179.534 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.588 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -64.99 -50.38 66.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.39 -0.819 . . . . 10.0 109.789 179.641 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.862 ' O ' ' HB ' ' A' ' 39' ' ' THR . 40.2 t -62.31 -38.25 80.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.408 -0.807 . . . . 10.0 110.644 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -38.19 83.68 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.04 -1.038 . . . . 10.0 110.762 -179.453 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.479 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 77.2 t80 -73.05 -70.57 0.35 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.104 -0.998 . . . . 10.0 110.688 -179.534 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 17.7 m-85 -51.61 -61.42 2.26 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.278 -0.889 . . . . 10.0 110.666 -179.495 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.862 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 8.2 m -41.34 -59.65 1.49 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.11 -0.994 . . . . 10.0 109.816 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -27.82 36.06 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.39 -0.819 . . . . 10.0 109.807 179.709 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -70.06 -53.69 16.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.277 -0.89 . . . . 10.0 109.711 179.747 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -57.44 -42.98 83.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.292 -0.88 . . . . 10.0 109.996 179.591 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.502 -0.749 . . . . 10.0 110.58 -179.57 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.581 ' N ' HD21 ' B' ' 11' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.23 0.538 . . . . 10.0 110.057 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 16.3 m -41.41 -75.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.287 -0.883 . . . . 10.0 110.083 179.896 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' B' ' 12' ' ' THR . 14.0 tt0 -35.54 -51.79 0.64 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.585 -0.697 . . . . 10.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 9.2 mt -67.08 -64.6 0.82 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.257 -0.902 . . . . 10.0 110.039 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLN . 22.7 mt -51.29 -57.37 9.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.306 -0.871 . . . . 10.0 110.111 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.7 tt0 -43.68 -57.25 3.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.18 -0.95 . . . . 10.0 109.749 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -48.17 -49.07 25.45 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.769 -1.732 . . . . 10.0 108.769 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.568 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 0.4 OUTLIER -38.91 -60.98 0.79 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.487 -1.008 . . . . 10.0 110.139 179.572 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.577 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -50.77 -45.41 59.02 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.25 -0.906 . . . . 10.0 109.769 179.778 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 t -61.09 -27.04 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.281 -0.887 . . . . 10.0 110.315 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.9 OUTLIER -87.79 -55.67 3.67 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.269 -0.894 . . . . 10.0 109.812 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' B' ' 26' ' ' GLN . 2.8 t -57.71 -20.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.566 -0.709 . . . . 10.0 110.393 -179.592 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.577 ' HB2' ' O ' ' B' ' 19' ' ' THR . 6.0 mp -85.68 -46.78 10.41 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.19 -0.944 . . . . 10.0 109.842 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -54.54 17.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.869 . . . . 10.0 110.209 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' B' ' 26' ' ' GLN . 9.6 mm-40 -77.55 -28.54 51.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.899 . . . . 10.0 110.202 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 2.1 tt0 38.41 70.43 1.29 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.316 -0.865 . . . . 10.0 110.274 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.595 ' HG3' ' CD1' ' B' ' 33' ' ' PHE . 44.0 Cg_endo -69.73 164.46 34.42 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 O-C-N 124.063 1.56 . . . . 10.0 110.561 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.36 -39.53 7.16 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 O-C-N 124.097 1.577 . . . . 10.0 110.303 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -127.2 148.2 50.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.354 -0.841 . . . . 10.0 109.895 179.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -89.66 -56.23 3.33 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.185 -0.947 . . . . 10.0 110.237 -179.657 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' B' ' 30' ' ' LEU . 17.4 t -34.67 -59.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-O 121.808 0.813 . . . . 10.0 109.828 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.406 ' HA ' HH11 ' A' ' 42' ' ' ARG . 3.7 t0 -59.52 -48.42 81.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.734 -0.604 . . . . 10.0 110.161 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.595 ' CD1' ' HG3' ' B' ' 27' ' ' PRO . 67.3 t80 -56.15 -33.77 65.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.125 -0.984 . . . . 10.0 109.621 179.527 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.568 ' CB ' ' OH ' ' B' ' 18' ' ' TYR . . . -65.04 -50.35 66.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.406 -0.809 . . . . 10.0 109.853 179.699 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.862 ' O ' ' HB ' ' B' ' 39' ' ' THR . 42.8 t -62.59 -37.47 79.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.394 -0.816 . . . . 10.0 110.579 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -38.23 81.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.084 -1.01 . . . . 10.0 110.725 -179.569 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.465 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 76.1 t80 -72.93 -70.79 0.34 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.052 -1.03 . . . . 10.0 110.635 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 18.5 m-85 -51.22 -61.53 2.18 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.238 -0.914 . . . . 10.0 110.688 -179.527 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.862 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 9.0 m -40.98 -60.03 1.3 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.04 -1.038 . . . . 10.0 109.794 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -28.29 35.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -0.842 . . . . 10.0 109.827 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 0.5 OUTLIER -69.43 -54.14 15.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 10.0 109.869 179.595 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.566 ' CB ' ' CZ ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.227 -0.921 . . . . 10.0 109.848 179.629 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 11.0 tp . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.222 0.534 . . . . 10.0 110.451 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 24.1 m -47.75 -79.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.157 -0.965 . . . . 10.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.81 -69.29 0.14 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.22 -0.925 . . . . 10.0 110.669 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.526 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 86.9 mt -45.48 -65.54 0.52 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.195 -0.941 . . . . 10.0 110.364 -179.683 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.527 ' CD1' HD12 ' B' ' 15' ' ' LEU . 4.0 tp -57.91 -72.91 0.08 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.189 -0.944 . . . . 10.0 110.558 -179.618 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -39.66 -31.25 0.09 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 10.0 110.242 -179.864 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.539 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -82.0 -47.04 6.37 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.607 -1.397 . . . . 10.0 109.607 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.633 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -73.39 -36.21 66.0 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.047 -1.267 . . . . 10.0 109.77 179.855 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.449 ' HA ' HD21 ' B' ' 11' ' ' LEU . 22.4 m -62.34 -40.46 96.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 10.0 109.922 179.683 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.524 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 3.5 t -65.48 -33.7 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.327 -0.858 . . . . 10.0 110.112 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.633 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.3 mt-10 -65.72 -50.53 64.51 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.129 -0.982 . . . . 10.0 108.996 179.539 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.558 HG12 ' HG ' ' A' ' 30' ' ' LEU . 4.7 t -51.28 -46.95 34.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.383 0.611 . . . . 10.0 110.068 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' A LEU . . . . . . . . . . . . . 3.8 tp -73.83 -11.79 60.48 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.366 -0.834 . . . . 10.0 110.377 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -98.03 12.08 35.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.195 -0.941 . . . . 10.0 110.607 -179.821 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.68 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.8 OUTLIER -172.3 27.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.999 -1.063 . . . . 10.0 110.797 179.822 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.68 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.4 tt0 8.03 78.82 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.629 -0.669 . . . . 10.0 111.183 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.5 ' HG2' ' HB2' ' A' ' 30' ' ' LEU . 43.3 Cg_endo -69.87 132.26 22.8 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 O-C-N 123.985 1.519 . . . . 10.0 110.64 -179.802 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.99 -33.59 19.15 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 O-C-N 123.955 1.503 . . . . 10.0 110.293 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' ' C ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -107.31 26.32 10.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.262 -0.899 . . . . 10.0 109.702 179.786 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.558 ' HG ' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -31.17 -61.71 0.19 Allowed 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.534 -179.633 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.519 ' C ' ' O ' ' A' ' 30' ' ' LEU . 13.3 t -34.33 -60.41 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.479 -0.763 . . . . 10.0 109.669 179.631 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.474 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 3.1 t0 -59.1 -45.03 91.9 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.735 -0.603 . . . . 10.0 109.904 179.65 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' LEU . 17.5 t80 -61.56 -48.51 80.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.157 -0.964 . . . . 10.0 109.416 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.66 -28.18 31.68 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.394 -0.816 . . . . 10.0 109.535 179.391 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.563 HG23 ' OG1' ' B' ' 39' ' ' THR . 3.4 t -77.82 -54.89 11.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 O-C-N 121.344 -0.847 . . . . 10.0 109.573 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.0 mt-10 -53.01 -36.06 60.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.398 -0.814 . . . . 10.0 109.787 179.493 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 18' ' ' TYR . 9.0 t80 -59.69 -63.53 1.27 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.862 . . . . 10.0 109.994 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 22.8 m-85 -69.01 -53.54 20.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 10.0 110.06 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.551 ' OG1' HG23 ' B' ' 35' ' ' VAL . 4.4 m -43.56 -31.0 0.65 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.15 -0.969 . . . . 10.0 109.633 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 11.4 mtt180 -74.23 -41.35 61.47 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.374 -0.829 . . . . 10.0 110.002 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.424 ' HB3' HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -52.45 -29.12 23.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 10.0 110.07 179.756 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HG2' HG12 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -58.01 -35.84 71.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -0.858 . . . . 10.0 110.27 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.919 . . . . 10.0 110.002 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' B' ' 15' ' ' LEU . 10.9 tp . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.279 0.561 . . . . 10.0 110.409 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 25.1 m -47.13 -79.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.136 -0.977 . . . . 10.0 110.405 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -69.63 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.918 . . . . 10.0 110.562 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.517 ' HB3' ' CE1' ' B' ' 38' ' ' PHE . 87.0 mt -45.07 -65.51 0.52 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.213 -0.93 . . . . 10.0 110.415 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.527 HD12 ' CD1' ' A' ' 15' ' ' LEU . 3.9 tp -58.06 -72.94 0.08 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.229 -0.919 . . . . 10.0 110.483 -179.623 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.494 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -39.59 -31.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.153 -0.967 . . . . 10.0 110.261 -179.831 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -81.99 -46.91 6.44 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.677 -1.369 . . . . 10.0 109.677 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.642 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.1 OUTLIER -73.59 -36.23 65.51 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.123 -1.222 . . . . 10.0 109.691 179.83 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.427 ' HA ' HD21 ' A' ' 11' ' ' LEU . 22.0 m -62.17 -40.27 95.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.829 . . . . 10.0 109.965 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.531 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 3.4 t -65.79 -33.59 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.304 -0.872 . . . . 10.0 110.083 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.642 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.3 mt-10 -65.73 -50.46 64.71 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.11 -0.994 . . . . 10.0 109.047 179.559 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.555 HG12 ' HG ' ' B' ' 30' ' ' LEU . 4.6 t -51.06 -47.82 30.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 CA-C-O 121.361 0.601 . . . . 10.0 110.119 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 23' B LEU . . . . . . . . . . . . . 3.8 tp -73.13 -12.65 60.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.379 -0.826 . . . . 10.0 110.334 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 1.1 tpt180 -97.08 11.91 34.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.164 -0.96 . . . . 10.0 110.64 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.678 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.7 OUTLIER -172.16 27.05 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.114 -0.991 . . . . 10.0 110.69 179.799 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.678 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.5 tt0 8.18 78.79 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.542 -0.724 . . . . 10.0 111.215 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.498 ' HG2' ' HB2' ' B' ' 30' ' ' LEU . 43.1 Cg_endo -69.98 131.96 22.0 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 O-C-N 123.96 1.505 . . . . 10.0 110.511 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.08 -33.82 18.28 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 123.993 1.523 . . . . 10.0 110.244 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.7 OUTLIER -106.85 26.3 10.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.309 -0.87 . . . . 10.0 109.7 179.693 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.555 ' HG ' HG12 ' B' ' 22' ' ' VAL . 0.6 OUTLIER -31.18 -61.63 0.19 Allowed 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.458 -179.624 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.516 ' C ' ' O ' ' B' ' 30' ' ' LEU . 14.2 t -34.59 -60.55 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 CA-C-O 121.762 0.791 . . . . 10.0 109.603 179.764 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.472 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 2.7 t0 -58.76 -44.97 90.74 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.717 -0.614 . . . . 10.0 109.915 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' B' ' 30' ' ' LEU . 17.6 t80 -61.59 -48.23 81.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.149 -0.969 . . . . 10.0 109.386 179.293 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.01 -28.12 36.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.355 -0.841 . . . . 10.0 109.558 179.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.551 HG23 ' OG1' ' A' ' 39' ' ' THR . 3.2 t -77.69 -54.45 12.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 O-C-N 121.427 -0.795 . . . . 10.0 109.501 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' B' ' 40' ' ' ARG . 3.1 mt-10 -53.6 -36.64 62.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.267 -0.895 . . . . 10.0 109.801 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' B' ' 18' ' ' TYR . 9.1 t80 -59.0 -63.16 1.4 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.346 -0.846 . . . . 10.0 110.006 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' B' ' 14' ' ' LEU . 22.9 m-85 -69.3 -53.35 20.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 10.0 110.056 179.863 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.563 ' OG1' HG23 ' A' ' 35' ' ' VAL . 4.5 m -43.77 -30.47 0.66 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.102 -0.999 . . . . 10.0 109.722 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' B' ' 36' ' ' GLU . 10.9 mtt180 -74.7 -41.7 59.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.408 -0.807 . . . . 10.0 109.897 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.502 ' HB3' HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -52.41 -29.44 24.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 10.0 109.968 179.871 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.468 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 10.0 110.194 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' B' ' 30' ' ' LEU . 2.1 mp . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.18 0.514 . . . . 10.0 110.127 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.477 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 1.3 m -40.62 -68.44 0.18 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.32 -0.862 . . . . 10.0 110.069 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -40.91 -55.65 2.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.469 -0.77 . . . . 10.0 110.387 179.909 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.07 -60.74 3.35 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.186 -0.946 . . . . 10.0 110.449 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.502 ' CD1' ' OG1' ' B' ' 19' ' ' THR . 73.0 mt -54.14 -68.16 0.2 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.258 -0.901 . . . . 10.0 110.386 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -39.39 -44.54 1.35 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.207 -0.933 . . . . 10.0 110.048 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.464 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -47.08 -47.64 20.21 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 108.958 -1.657 . . . . 10.0 108.958 179.604 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.837 ' C ' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -73.71 -47.49 39.09 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.138 -1.213 . . . . 10.0 109.0 179.348 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.547 ' OG1' ' CD1' ' B' ' 15' ' ' LEU . 8.5 m -50.52 -33.01 19.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.788 -1.195 . . . . 10.0 110.527 179.032 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 16' ' ' GLN . 65.4 t -74.69 -34.91 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.134 -0.979 . . . . 10.0 110.841 -179.454 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.74 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -66.52 -53.74 31.56 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.084 -1.01 . . . . 10.0 109.361 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.503 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 6.1 t -48.36 -45.98 13.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.793 -0.567 . . . . 10.0 110.17 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' A LEU . . . . . . . . . . . . . 14.2 mt -60.28 -29.64 68.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.228 -0.92 . . . . 10.0 109.826 179.652 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.71 24.4 1.47 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.263 -0.898 . . . . 10.0 110.573 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.41 ' CG ' ' N ' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -167.26 -37.24 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.157 -0.964 . . . . 10.0 110.128 179.595 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 22' ' ' VAL . 2.0 tm0? 57.01 80.58 0.28 Allowed Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.451 -0.781 . . . . 10.0 110.212 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.0 169.33 19.49 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 O-C-N 124.015 1.534 . . . . 10.0 110.532 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 43.2 Cg_endo -69.4 -8.02 22.5 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 124.067 1.562 . . . . 10.0 110.482 179.843 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.473 ' OD1' ' HG2' ' A' ' 28' ' ' PRO . 0.5 OUTLIER -171.87 130.07 0.65 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.277 -0.89 . . . . 10.0 110.055 179.958 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.576 ' O ' ' C ' ' A' ' 31' ' ' VAL . 19.3 tp -78.12 -55.99 4.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.197 -0.939 . . . . 10.0 110.566 -179.704 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.576 ' C ' ' O ' ' A' ' 30' ' ' LEU . 23.4 t -29.52 -67.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 CA-C-O 121.662 0.744 . . . . 10.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.22 -42.8 63.87 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.649 -0.657 . . . . 10.0 110.088 179.714 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 4.0 t80 -62.89 -47.64 82.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.081 -1.012 . . . . 10.0 109.478 179.338 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.03 -32.49 47.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.356 -0.84 . . . . 10.0 109.701 179.385 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.591 HG21 ' CA ' ' B' ' 39' ' ' THR . 2.8 t -87.88 -54.48 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 121.267 -0.895 . . . . 10.0 110.208 -179.77 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -38.13 55.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.282 -0.886 . . . . 10.0 110.237 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.494 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 85.3 t80 -71.68 -55.48 7.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 10.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 8.2 m-85 -68.86 -53.25 22.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.139 -0.976 . . . . 10.0 110.314 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.584 ' CA ' HG21 ' B' ' 35' ' ' VAL . 17.9 m -45.43 -43.49 11.37 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.06 -1.025 . . . . 10.0 109.884 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -41.59 89.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.275 -0.891 . . . . 10.0 109.877 179.633 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 9.4 mt -56.37 -37.21 69.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.949 . . . . 10.0 109.721 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HG2' ' CG1' ' B' ' 31' ' ' VAL . 9.3 mmm180 -72.06 -27.81 62.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.284 -0.885 . . . . 10.0 109.801 179.626 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.483 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 1.3 tp10 . . . . . 0 N--CA 1.488 1.474 0 O-C-N 121.42 -0.8 . . . . 10.0 109.757 179.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.529 ' HG ' ' CD2' ' A' ' 30' ' ' LEU . 2.2 mp . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.249 0.547 . . . . 10.0 110.24 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 1.3 m -40.21 -68.3 0.18 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.405 -0.81 . . . . 10.0 110.167 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -41.05 -55.86 2.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.467 -0.771 . . . . 10.0 110.303 179.899 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.475 ' CD2' HD23 ' A' ' 30' ' ' LEU . 55.7 tp -59.67 -60.88 3.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.289 -0.882 . . . . 10.0 110.445 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.547 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 73.2 mt -54.02 -68.38 0.18 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.243 -0.911 . . . . 10.0 110.411 -179.863 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.9 OUTLIER -39.2 -44.69 1.25 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.254 -0.904 . . . . 10.0 110.058 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -46.95 -47.34 19.68 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.951 -1.66 . . . . 10.0 108.951 179.562 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.837 ' C ' ' CD1' ' B' ' 18' ' ' TYR . 0.0 OUTLIER -74.09 -47.97 32.84 Favored 'General case' 0 C--N 1.308 -1.232 0 O-C-N 121.132 -1.217 . . . . 10.0 108.978 179.411 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.502 ' OG1' ' CD1' ' A' ' 15' ' ' LEU . 8.8 m -50.24 -32.76 17.51 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.819 -1.175 . . . . 10.0 110.519 178.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 16' ' ' GLN . 61.5 t -75.02 -34.49 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.163 -0.961 . . . . 10.0 110.887 -179.498 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.741 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.7 OUTLIER -66.97 -53.7 29.04 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.098 -1.002 . . . . 10.0 109.214 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.501 HG23 ' CZ ' ' B' ' 33' ' ' PHE . 6.5 t -48.28 -46.26 13.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.766 -0.583 . . . . 10.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 23' B LEU . . . . . . . . . . . . . 14.2 mt -60.08 -29.34 68.5 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.195 -0.941 . . . . 10.0 109.89 179.648 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.78 23.97 1.58 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 10.0 110.516 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' B' ' 26' ' ' GLN . 0.5 OUTLIER -166.98 -37.01 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.221 -0.925 . . . . 10.0 110.211 179.676 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' B' ' 22' ' ' VAL . 2.0 tm0? 57.07 80.72 0.28 Allowed Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.403 -0.811 . . . . 10.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -70.06 169.02 20.28 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 O-C-N 124.072 1.564 . . . . 10.0 110.543 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.474 ' HG2' ' OD1' ' B' ' 29' ' ' ASP . 42.4 Cg_endo -69.48 -7.4 20.87 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 123.956 1.503 . . . . 10.0 110.387 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.474 ' OD1' ' HG2' ' B' ' 28' ' ' PRO . 0.5 OUTLIER -172.27 130.73 0.6 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.237 -0.914 . . . . 10.0 109.918 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.584 ' O ' ' C ' ' B' ' 31' ' ' VAL . 17.0 tp -79.05 -56.29 4.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.883 . . . . 10.0 110.612 -179.705 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.584 ' C ' ' O ' ' B' ' 30' ' ' LEU . 25.0 t -29.19 -67.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.473 -0.767 . . . . 10.0 110.293 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.47 -43.1 64.78 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.596 -0.69 . . . . 10.0 110.109 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' B' ' 33' ' ' PHE . 4.0 t80 -62.66 -47.42 83.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.119 -0.988 . . . . 10.0 109.574 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.97 -32.86 48.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -0.864 . . . . 10.0 109.796 179.285 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.584 HG21 ' CA ' ' A' ' 39' ' ' THR . 2.8 t -87.85 -54.22 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.23 -0.919 . . . . 10.0 110.162 -179.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -38.74 57.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.22 -0.925 . . . . 10.0 110.111 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.484 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 84.7 t80 -71.12 -55.79 7.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.173 -0.955 . . . . 10.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 8.5 m-85 -68.62 -52.71 28.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.262 -0.899 . . . . 10.0 110.416 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.591 ' CA ' HG21 ' A' ' 35' ' ' VAL . 16.8 m -45.88 -43.5 13.69 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.158 -0.964 . . . . 10.0 109.856 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -41.93 88.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.253 -0.905 . . . . 10.0 109.794 179.556 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 9.4 mt -56.19 -37.57 69.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.223 -0.923 . . . . 10.0 109.798 179.61 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.46 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 9.3 mmm180 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.251 -0.906 . . . . 10.0 109.902 179.685 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.4 tm? . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.333 0.587 . . . . 10.0 109.97 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.514 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 63.3 m -44.65 -50.21 9.95 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.244 -0.91 . . . . 10.0 110.046 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.6 tp10 -39.31 -59.66 1.02 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.435 -0.79 . . . . 10.0 110.315 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -56.14 -61.77 2.16 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.344 -0.848 . . . . 10.0 110.195 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.559 ' HG ' ' HG ' ' B' ' 15' ' ' LEU . 6.9 mp -54.77 -58.75 6.33 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.256 -0.902 . . . . 10.0 110.307 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -40.35 -53.13 2.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.183 -0.948 . . . . 10.0 109.64 179.746 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -40.9 -55.16 3.44 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.727 -1.749 . . . . 10.0 108.727 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.585 ' OH ' ' N ' ' A' ' 34' ' ' ALA . 1.2 t80 -46.41 -65.58 0.53 Allowed 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.256 -1.144 . . . . 10.0 110.046 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.524 ' O ' ' HB2' ' A' ' 23' A LEU . 1.2 m -42.72 -37.61 1.8 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 10.0 110.093 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 16' ' ' GLN . 43.9 t -70.98 -25.62 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.337 -0.852 . . . . 10.0 110.224 -179.834 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.561 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -88.77 -56.03 3.46 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.136 -0.978 . . . . 10.0 109.405 179.72 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.518 HG12 ' CG ' ' A' ' 27' ' ' PRO . 11.9 t -50.61 -22.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.603 -0.686 . . . . 10.0 110.046 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' A LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 19' ' ' THR . 4.0 mp -90.07 -37.14 14.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.367 -0.833 . . . . 10.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.484 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -76.16 5.76 6.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 10.0 110.993 -179.415 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.642 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.4 pt20 -162.35 16.05 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.926 -1.109 . . . . 10.0 110.987 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.642 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 17.95 77.16 0.15 Allowed Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.408 -0.808 . . . . 10.0 110.803 179.886 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.518 ' CG ' HG12 ' A' ' 22' ' ' VAL . 43.3 Cg_endo -69.41 168.73 20.27 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 123.984 1.518 . . . . 10.0 110.728 -179.563 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.18 -51.75 0.41 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 O-C-N 124.042 1.548 . . . . 10.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -151.26 144.61 24.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.266 -0.896 . . . . 10.0 110.105 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.601 ' N ' HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -70.21 -50.06 43.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 10.0 109.468 179.8 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.673 HG11 ' CZ ' ' B' ' 42' ' ' ARG . 72.4 t -23.35 -72.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 121.658 0.742 . . . . 10.0 110.771 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -60.51 -58.52 8.15 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.515 -0.741 . . . . 10.0 109.585 179.664 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -43.52 -62.9 0.94 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 10.0 108.925 178.908 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 38' ' ' PHE . . . -40.4 -45.24 2.14 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.499 -0.751 . . . . 10.0 110.14 179.551 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.721 ' O ' ' HB ' ' A' ' 39' ' ' THR . 3.9 t -78.44 -50.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.188 -0.945 . . . . 10.0 110.662 -179.619 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -58.64 -46.67 86.6 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.196 -0.94 . . . . 10.0 110.609 -179.427 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.55 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 4.1 t80 -68.7 -57.87 5.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.07 . . . . 10.0 110.247 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.728 ' O ' ' NE ' ' A' ' 42' ' ' ARG . 10.5 m-85 -56.28 -70.05 0.13 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.287 -0.883 . . . . 10.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.721 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 1.8 m -39.07 -29.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.067 -1.02 . . . . 10.0 109.952 179.786 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -77.27 -35.8 54.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.283 -0.885 . . . . 10.0 109.948 179.495 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.714 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -57.97 -61.09 2.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 10.0 109.917 179.751 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.735 ' NE ' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -37.32 -40.08 0.32 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.393 -0.817 . . . . 10.0 110.014 -179.647 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 N--CA 1.493 1.706 0 O-C-N 121.328 -0.858 . . . . 10.0 110.091 179.954 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.453 ' C ' HD12 ' B' ' 11' ' ' LEU . 2.4 tm? . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.255 0.55 . . . . 10.0 109.838 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.514 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 63.2 m -44.68 -50.12 10.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 10.0 109.959 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.6 tp10 -39.43 -59.77 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.452 -0.78 . . . . 10.0 110.354 179.849 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -56.15 -61.57 2.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.312 -0.868 . . . . 10.0 110.249 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.559 ' HG ' ' HG ' ' A' ' 15' ' ' LEU . 6.7 mp -54.76 -58.83 5.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.234 -0.917 . . . . 10.0 110.338 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -40.5 -52.85 2.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.177 -0.952 . . . . 10.0 109.618 179.694 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -41.0 -54.91 3.55 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.72 -1.752 . . . . 10.0 108.72 179.416 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.587 ' OH ' ' N ' ' B' ' 34' ' ' ALA . 1.1 t80 -46.59 -65.58 0.54 Allowed 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.275 -1.132 . . . . 10.0 110.18 179.331 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' B' ' 23' B LEU . 1.2 m -42.5 -37.6 1.68 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.408 -0.808 . . . . 10.0 110.205 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.484 HG21 ' O ' ' B' ' 16' ' ' GLN . 44.1 t -70.97 -25.66 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.29 -0.881 . . . . 10.0 110.343 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.567 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -88.73 -55.68 3.61 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.084 -1.01 . . . . 10.0 109.464 179.735 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.503 HG12 ' CG ' ' B' ' 27' ' ' PRO . 11.5 t -51.02 -22.93 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.716 -0.615 . . . . 10.0 110.04 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 23' B LEU . . . . . 0.517 ' HB2' ' O ' ' B' ' 19' ' ' THR . 4.1 mp -89.9 -37.26 14.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.297 -0.877 . . . . 10.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' B' ' 24' ' ' ARG . 0.0 OUTLIER -76.3 6.07 6.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -0.913 . . . . 10.0 110.913 -179.391 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . 0.642 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.4 pt20 -162.5 16.04 0.08 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.891 -1.131 . . . . 10.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.642 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 17.48 77.18 0.14 Allowed Pre-proline 0 N--CA 1.5 2.031 0 O-C-N 121.433 -0.792 . . . . 10.0 110.747 179.835 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.503 ' CG ' HG12 ' B' ' 22' ' ' VAL . 43.9 Cg_endo -69.39 169.02 19.4 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.03 1.542 . . . . 10.0 110.683 -179.524 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.09 -51.96 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 123.992 1.522 . . . . 10.0 110.445 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -151.64 143.81 23.97 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.228 -0.92 . . . . 10.0 110.035 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.611 HD11 ' N ' ' B' ' 30' ' ' LEU . 0.4 OUTLIER -69.1 -49.71 54.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.267 -0.896 . . . . 10.0 109.444 179.694 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.681 HG11 ' CZ ' ' A' ' 42' ' ' ARG . 71.9 t -23.01 -72.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 CA-C-O 121.64 0.733 . . . . 10.0 110.825 179.533 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.506 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -60.91 -57.93 10.58 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.647 -0.658 . . . . 10.0 109.577 179.664 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.525 ' CE1' ' HB2' ' B' ' 37' ' ' TYR . 0.6 OUTLIER -43.89 -62.49 1.1 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.225 -0.922 . . . . 10.0 108.985 178.854 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.603 ' O ' ' CD2' ' B' ' 38' ' ' PHE . . . -40.76 -44.65 2.26 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.483 -0.761 . . . . 10.0 110.116 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.721 ' O ' ' HB ' ' B' ' 39' ' ' THR . 3.6 t -78.97 -50.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.106 -0.996 . . . . 10.0 110.609 -179.643 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.544 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.7 OUTLIER -58.21 -46.47 85.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.079 -1.013 . . . . 10.0 110.582 -179.382 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . 0.544 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 4.3 t80 -68.96 -58.39 4.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.053 -1.03 . . . . 10.0 110.255 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.72 ' O ' ' NE ' ' B' ' 42' ' ' ARG . 10.8 m-85 -55.91 -69.9 0.13 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.156 -0.965 . . . . 10.0 109.964 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.721 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 1.8 m -39.09 -29.54 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.121 -0.987 . . . . 10.0 109.89 179.802 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' B' ' 38' ' ' PHE . 0.0 OUTLIER -77.27 -35.43 55.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.258 -0.901 . . . . 10.0 109.958 179.535 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.717 ' HB3' ' NH1' ' B' ' 42' ' ' ARG . 0.6 OUTLIER -57.91 -61.3 2.63 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.135 -0.978 . . . . 10.0 109.784 179.766 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.74 ' H ' ' NE ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.836 0 O-C-N 121.375 -0.828 . . . . 10.0 110.012 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.261 0.553 . . . . 10.0 110.232 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 34.0 mtp -120.5 -48.81 2.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.258 -0.901 . . . . 10.0 110.088 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.01 158.96 17.57 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.683 -1.367 . . . . 10.0 109.683 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -129.23 -2.82 5.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.329 -1.101 . . . . 10.0 110.207 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.3 mm -109.19 152.39 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.232 -0.918 . . . . 10.0 110.278 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' HG3' HD21 ' B' ' 23' B LEU . 0.0 OUTLIER -143.69 48.65 1.42 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.301 -0.874 . . . . 10.0 110.064 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.461 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 19.4 mm -137.72 96.16 10.78 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.242 -0.911 . . . . 10.0 110.263 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.558 ' HB2' ' HB2' ' A' ' 11' ' ' LEU . 48.0 Cg_endo -72.23 110.67 3.01 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 O-C-N 124.0 1.526 . . . . 10.0 110.653 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 49.5 Cg_endo -75.75 146.42 30.04 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 O-C-N 124.076 1.566 . . . . 10.0 110.857 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.76 10.19 30.27 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.839 -1.304 . . . . 10.0 109.839 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.558 ' HB2' ' HB2' ' A' ' 8' ' ' PRO . 2.7 tm? -88.76 -40.74 12.99 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.112 -1.228 . . . . 10.0 110.174 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 13' ' ' GLU . 74.4 m -59.06 -70.7 0.14 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.931 . . . . 10.0 110.12 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.3 tp10 -42.04 -61.81 1.07 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.403 -0.81 . . . . 10.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 14' ' ' LEU . 8.1 mt -43.58 -62.09 1.19 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.192 -0.943 . . . . 10.0 110.082 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.473 HD12 HD12 ' A' ' 11' ' ' LEU . 18.2 mt -52.46 -50.31 62.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.17 -0.956 . . . . 10.0 110.054 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.24 -61.68 1.12 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.903 . . . . 10.0 110.002 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -44.42 -49.48 8.38 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.066 -1.614 . . . . 10.0 109.066 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.575 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -41.33 -62.89 0.77 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.41 -1.053 . . . . 10.0 110.253 179.718 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.578 ' O ' ' HB2' ' A' ' 23' A LEU . 0.6 OUTLIER -50.28 -35.69 28.3 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.345 -0.847 . . . . 10.0 109.95 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 42.1 t -70.56 -24.51 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.263 -0.898 . . . . 10.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' OE2' ' CZ ' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -90.86 -64.32 1.15 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.167 -0.958 . . . . 10.0 110.066 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.52 HG23 ' CE2' ' A' ' 33' ' ' PHE . 9.8 t -45.68 -27.11 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.626 -0.671 . . . . 10.0 110.687 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 19' ' ' THR . 4.5 mp -88.47 -41.22 12.9 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.981 -1.074 . . . . 10.0 110.545 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.553 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -71.41 1.37 6.42 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.1 -1.0 . . . . 10.0 110.551 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.693 ' O ' ' C ' ' A' ' 26' ' ' GLN . 16.8 pt20 -159.2 20.58 0.19 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.092 -1.005 . . . . 10.0 110.614 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' A' ' 25' ' ' GLN . 8.9 mt-30 0.59 89.42 0.03 OUTLIER Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.701 -0.624 . . . . 10.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.88 160.48 49.59 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 123.974 1.513 . . . . 10.0 110.694 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.53 -8.41 23.52 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 O-C-N 124.072 1.564 . . . . 10.0 110.635 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -168.33 139.6 2.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 10.0 110.273 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.526 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -82.78 -62.89 1.48 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.264 -0.897 . . . . 10.0 110.189 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 30' ' ' LEU . 12.1 t -34.37 -63.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.361 -0.837 . . . . 10.0 110.098 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -58.86 -41.54 87.25 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.539 -0.726 . . . . 10.0 110.144 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.52 ' CE2' HG23 ' A' ' 22' ' ' VAL . 79.8 t80 -64.74 -34.47 78.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.262 -0.899 . . . . 10.0 109.703 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.575 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -67.87 -39.33 83.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.378 -0.826 . . . . 10.0 109.735 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.625 HG23 ' OG1' ' B' ' 39' ' ' THR . 5.2 t -71.14 -42.33 75.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.416 -0.803 . . . . 10.0 110.135 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.509 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 6.0 mm-40 -69.04 -54.86 12.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.215 -0.928 . . . . 10.0 110.527 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.539 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 41.2 t80 -55.94 -49.71 72.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.189 -0.945 . . . . 10.0 110.686 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 34' ' ' ALA . 13.6 m-85 -70.34 -51.27 31.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 10.0 110.579 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.626 ' OG1' HG23 ' B' ' 35' ' ' VAL . 16.2 m -45.02 -36.96 3.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.988 -1.07 . . . . 10.0 109.746 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.509 ' HD2' ' O ' ' A' ' 36' ' ' GLU . 20.2 mtt180 -79.77 -38.24 33.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.872 . . . . 10.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 35.5 tp -46.96 -33.33 4.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.968 . . . . 10.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.479 ' CD ' HG12 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -59.83 -32.71 70.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 10.0 110.093 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -103.45 9.7 37.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 10.0 110.275 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.497 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -39.15 -69.05 0.14 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.263 -0.898 . . . . 10.0 110.534 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -32.93 -36.84 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 121.326 0.584 . . . . 10.0 110.889 -178.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.498 ' HB3' ' O ' ' A' ' 43' ' ' GLU . 35.4 ttt180 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 117.96 -1.019 . . . . 10.0 110.15 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.277 0.56 . . . . 10.0 110.217 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 33.3 mtp -121.02 -48.99 2.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.256 -0.902 . . . . 10.0 110.1 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.39 159.94 21.29 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.587 -1.405 . . . . 10.0 109.587 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -130.24 -1.72 4.52 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.246 -1.149 . . . . 10.0 110.215 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.3 mm -110.24 151.85 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.888 . . . . 10.0 110.314 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.473 ' HG3' HD21 ' A' ' 23' A LEU . 0.0 OUTLIER -143.28 49.73 1.43 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.251 -0.905 . . . . 10.0 110.13 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.464 ' O ' ' HD3' ' B' ' 9' ' ' PRO . 20.1 mm -138.65 96.1 9.69 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.264 -0.898 . . . . 10.0 110.268 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.559 ' HB2' ' HB2' ' B' ' 11' ' ' LEU . 47.3 Cg_endo -72.16 110.7 3.01 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 123.969 1.51 . . . . 10.0 110.651 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' B' ' 7' ' ' ILE . 49.0 Cg_endo -75.84 146.54 29.86 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 O-C-N 124.02 1.537 . . . . 10.0 110.767 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.52 10.41 29.76 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.967 -1.253 . . . . 10.0 109.967 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.559 ' HB2' ' HB2' ' B' ' 8' ' ' PRO . 2.7 tm? -88.81 -40.78 12.92 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.155 -1.203 . . . . 10.0 110.197 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.425 ' O ' ' C ' ' B' ' 13' ' ' GLU . 72.5 m -59.04 -70.63 0.14 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.234 -0.916 . . . . 10.0 110.131 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.3 tp10 -41.84 -61.92 1.01 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.42 -0.8 . . . . 10.0 110.235 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' B' ' 14' ' ' LEU . 8.3 mt -43.58 -62.06 1.2 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 10.0 110.143 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.469 HD12 HD12 ' B' ' 11' ' ' LEU . 18.1 mt -52.45 -50.26 62.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.893 . . . . 10.0 110.071 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' B' ' 17' ' ' GLY . 0.0 OUTLIER -42.26 -61.86 1.08 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 10.0 109.982 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -44.41 -49.59 8.33 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.125 -1.59 . . . . 10.0 109.125 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.581 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 0.5 OUTLIER -41.17 -62.77 0.78 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.382 -1.069 . . . . 10.0 110.193 179.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.573 ' O ' ' HB2' ' B' ' 23' B LEU . 0.6 OUTLIER -50.44 -35.87 30.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.301 -0.875 . . . . 10.0 109.91 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.56 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 39.6 t -70.32 -24.49 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.894 . . . . 10.0 110.499 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.506 ' OE2' ' CZ ' ' B' ' 37' ' ' TYR . 0.6 OUTLIER -90.84 -64.8 1.08 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.116 -0.99 . . . . 10.0 110.106 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.52 HG23 ' CE2' ' B' ' 33' ' ' PHE . 10.4 t -45.14 -27.35 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.692 -0.63 . . . . 10.0 110.67 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.573 ' HB2' ' O ' ' B' ' 19' ' ' THR . 4.4 mp -88.38 -41.19 12.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.063 -1.023 . . . . 10.0 110.504 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.56 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.1 OUTLIER -71.13 0.92 6.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.051 -1.031 . . . . 10.0 110.596 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.692 ' O ' ' C ' ' B' ' 26' ' ' GLN . 17.1 pt20 -158.74 19.68 0.21 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.035 -1.041 . . . . 10.0 110.661 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.692 ' C ' ' O ' ' B' ' 25' ' ' GLN . 9.1 mt-30 1.72 89.3 0.03 OUTLIER Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.693 -0.629 . . . . 10.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.85 160.55 49.25 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 O-C-N 124.016 1.535 . . . . 10.0 110.68 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.39 -9.34 25.98 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 124.048 1.552 . . . . 10.0 110.623 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -167.79 139.52 3.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.193 -0.942 . . . . 10.0 110.214 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.3 OUTLIER -82.46 -63.58 1.35 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.19 -0.944 . . . . 10.0 110.236 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.531 ' C ' ' O ' ' B' ' 30' ' ' LEU . 10.7 t -33.75 -63.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.462 -0.774 . . . . 10.0 110.067 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -59.59 -42.27 92.19 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.589 -0.694 . . . . 10.0 110.089 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.52 ' CE2' HG23 ' B' ' 22' ' ' VAL . 76.3 t80 -64.14 -34.3 77.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.195 -0.941 . . . . 10.0 109.734 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.581 ' CB ' ' OH ' ' B' ' 18' ' ' TYR . . . -67.95 -39.15 83.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.397 -0.814 . . . . 10.0 109.767 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.626 HG23 ' OG1' ' A' ' 39' ' ' THR . 5.6 t -71.42 -42.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 10.0 110.08 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.508 ' O ' ' HD2' ' B' ' 40' ' ' ARG . 6.0 mm-40 -69.11 -54.94 12.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 10.0 110.5 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.506 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 39.9 t80 -55.61 -50.4 70.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.21 -0.931 . . . . 10.0 110.683 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' B' ' 34' ' ' ALA . 13.8 m-85 -69.73 -51.59 32.9 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.112 -0.992 . . . . 10.0 110.578 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.625 ' OG1' HG23 ' A' ' 35' ' ' VAL . 16.4 m -45.06 -36.36 3.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.957 -1.089 . . . . 10.0 109.716 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.508 ' HD2' ' O ' ' B' ' 36' ' ' GLU . 21.3 mtt180 -79.94 -38.12 33.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.262 -0.899 . . . . 10.0 110.249 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 34.4 tp -47.2 -32.94 4.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.233 -0.917 . . . . 10.0 110.073 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.453 ' CD ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -60.03 -33.11 71.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.271 -0.893 . . . . 10.0 110.077 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' B' ' 46' ' ' ARG . 0.9 OUTLIER -103.12 9.73 38.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.227 -0.921 . . . . 10.0 110.235 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' B' ' 46' ' ' ARG . . . -39.08 -69.21 0.13 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.248 -0.907 . . . . 10.0 110.575 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.498 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -32.81 -36.6 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.372 0.606 . . . . 10.0 110.881 -178.688 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.499 ' HB3' ' O ' ' B' ' 43' ' ' GLU . 35.4 ttt180 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 117.985 -1.007 . . . . 10.0 110.168 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.8 m80 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.238 0.542 . . . . 10.0 110.217 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 41.9 mtm -132.64 109.09 9.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.165 -0.96 . . . . 10.0 110.238 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.476 ' C ' ' CD2' ' A' ' 4' ' ' HIS . . . -90.57 160.01 27.5 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.524 -1.43 . . . . 10.0 109.524 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.491 ' N ' ' CD2' ' A' ' 4' ' ' HIS . 14.2 m-70 -131.11 108.37 9.7 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.218 -1.166 . . . . 10.0 110.259 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.465 ' O ' HG21 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -111.84 128.13 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.153 -0.967 . . . . 10.0 110.109 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.5 ' O ' HD22 ' B' ' 23' B LEU . 0.0 OUTLIER -169.97 -170.29 0.98 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.287 -0.883 . . . . 10.0 110.223 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 6' ' ' GLN . 5.0 mm -148.38 103.68 3.52 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.201 -0.937 . . . . 10.0 110.172 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HG2' HD22 ' A' ' 11' ' ' LEU . 44.1 Cg_endo -70.46 132.59 22.5 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 123.975 1.513 . . . . 10.0 110.496 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -72.51 144.8 41.09 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 O-C-N 123.949 1.5 . . . . 10.0 110.599 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.536 ' O ' ' CG ' ' A' ' 14' ' ' LEU . . . 88.24 -21.85 22.45 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.646 -1.381 . . . . 10.0 109.646 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.446 HD22 ' HG2' ' A' ' 8' ' ' PRO . 24.5 tp -58.66 -73.97 0.07 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.229 -1.159 . . . . 10.0 110.384 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 15' ' ' LEU . 10.4 m -48.23 -68.53 0.18 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.302 -0.874 . . . . 10.0 110.635 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.557 ' CG ' ' N ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -39.48 -47.38 1.84 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.464 -0.772 . . . . 10.0 110.612 -179.606 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.557 ' N ' ' CG ' ' A' ' 13' ' ' GLU . 50.4 mt -65.35 -30.47 71.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.133 -0.979 . . . . 10.0 110.193 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -74.36 -66.66 0.7 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.247 -0.908 . . . . 10.0 110.143 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -45.34 -33.7 2.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.285 -0.884 . . . . 10.0 110.102 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.54 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -72.58 -47.35 27.79 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.619 -1.393 . . . . 10.0 109.619 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.669 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -69.09 -43.49 74.4 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.099 -1.236 . . . . 10.0 109.623 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -59.64 -35.37 74.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.883 . . . . 10.0 109.72 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 16' ' ' GLN . 3.0 t -67.53 -27.65 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 10.0 109.855 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.669 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.5 mt-10 -76.18 -26.57 56.32 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.282 -0.886 . . . . 10.0 109.457 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.58 HG22 ' CE1' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -85.64 -40.67 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.521 -0.737 . . . . 10.0 110.076 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.445 HD22 ' O ' ' B' ' 6' ' ' GLN . 1.6 mt -61.83 -38.51 88.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -0.903 . . . . 10.0 109.977 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -82.99 -51.14 7.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.33 -0.856 . . . . 10.0 110.171 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 7.1 mm100 -73.09 -30.59 63.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.203 -0.936 . . . . 10.0 110.247 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER 40.57 64.53 4.73 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 10.0 110.001 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.58 159.76 52.31 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 O-C-N 124.04 1.548 . . . . 10.0 110.684 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.23 -21.18 36.32 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 124.09 1.574 . . . . 10.0 110.352 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -137.69 120.29 16.13 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.862 . . . . 10.0 110.038 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.576 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -81.02 -66.28 0.91 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.19 -0.944 . . . . 10.0 110.23 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.576 ' C ' ' O ' ' A' ' 30' ' ' LEU . 10.1 t -27.98 -54.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 CA-C-O 121.77 0.795 . . . . 10.0 110.042 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.41 ' CG ' ' NH1' ' B' ' 42' ' ' ARG . 7.2 t0 -66.3 -48.08 71.52 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.756 -0.59 . . . . 10.0 109.967 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 30' ' ' LEU . 29.2 t80 -63.78 -44.43 93.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.187 -0.946 . . . . 10.0 109.698 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.28 -24.18 67.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 10.0 110.024 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.504 ' O ' ' HB ' ' A' ' 39' ' ' THR . 2.2 t -87.25 -48.04 15.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.23 -0.919 . . . . 10.0 109.632 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -55.83 -43.19 76.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 10.0 110.01 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 33.4 t80 -66.86 -56.78 8.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.194 -0.942 . . . . 10.0 110.08 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 2.2 m-85 -61.79 -60.67 3.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.403 -0.811 . . . . 10.0 110.214 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 12.5 m -43.08 -40.99 3.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.171 -0.956 . . . . 10.0 109.942 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 2.7 mtt180 -59.02 -41.46 87.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 10.0 109.944 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 37' ' ' TYR . 2.6 mp -57.48 -37.12 72.39 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -0.879 . . . . 10.0 109.993 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.0 -9.33 37.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.357 -0.839 . . . . 10.0 110.231 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -128.59 1.38 5.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.208 -0.933 . . . . 10.0 110.214 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.612 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -124.0 -73.4 0.64 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 10.0 110.449 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.612 ' C ' ' O ' ' A' ' 44' ' ' ALA . 11.1 tpp180 -15.8 84.23 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.199 0.523 . . . . 10.0 111.528 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' A' ' 44' ' ' ALA . 30.5 tpt85 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 117.995 -1.003 . . . . 10.0 110.089 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 41.9 m80 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.233 0.54 . . . . 10.0 110.133 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 42.2 mtm -133.38 108.76 8.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.27 -0.894 . . . . 10.0 110.102 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . 0.472 ' C ' ' CD2' ' B' ' 4' ' ' HIS . . . -89.88 159.97 28.31 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.433 -1.467 . . . . 10.0 109.433 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.488 ' CD2' ' N ' ' B' ' 4' ' ' HIS . 14.2 m-70 -131.02 107.86 9.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.277 -1.131 . . . . 10.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.473 ' O ' HG21 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -111.33 127.41 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 10.0 110.174 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.467 ' O ' HG12 ' B' ' 7' ' ' ILE . 0.0 OUTLIER -169.36 -171.72 1.33 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.281 -0.887 . . . . 10.0 110.185 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.467 HG12 ' O ' ' B' ' 6' ' ' GLN . 4.7 mm -147.16 103.67 3.81 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 10.0 110.203 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.44 ' HG2' HD22 ' B' ' 11' ' ' LEU . 44.8 Cg_endo -70.51 132.89 23.0 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.017 1.535 . . . . 10.0 110.497 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.53 144.67 40.75 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 123.95 1.5 . . . . 10.0 110.594 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 14' ' ' LEU . . . 88.25 -21.73 23.16 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.629 -1.388 . . . . 10.0 109.629 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.44 HD22 ' HG2' ' B' ' 8' ' ' PRO . 28.7 tp -58.69 -73.63 0.08 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -1.157 . . . . 10.0 110.393 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.489 ' O ' ' N ' ' B' ' 15' ' ' LEU . 10.8 m -48.92 -68.33 0.19 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.248 -0.907 . . . . 10.0 110.582 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.554 ' CG ' ' N ' ' B' ' 14' ' ' LEU . 0.5 OUTLIER -39.44 -47.26 1.79 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.429 -0.794 . . . . 10.0 110.56 -179.611 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.554 ' N ' ' CG ' ' B' ' 13' ' ' GLU . 51.8 mt -65.74 -30.88 71.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 10.0 110.141 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' B' ' 12' ' ' THR . 0.1 OUTLIER -73.39 -67.81 0.55 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 10.0 110.131 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.473 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.4 OUTLIER -44.43 -35.04 2.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.266 -0.896 . . . . 10.0 110.094 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -71.02 -47.81 36.2 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.619 -1.392 . . . . 10.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.675 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -69.04 -43.2 75.18 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.086 -1.243 . . . . 10.0 109.706 179.76 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -59.91 -35.09 74.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 10.0 109.733 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 16' ' ' GLN . 3.1 t -67.73 -27.75 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.296 -0.878 . . . . 10.0 109.799 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.675 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.4 mt-10 -76.01 -26.88 57.11 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.28 -0.887 . . . . 10.0 109.47 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.578 HG22 ' CE1' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -85.5 -40.55 14.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.499 -0.751 . . . . 10.0 110.09 -179.607 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.5 HD22 ' O ' ' A' ' 6' ' ' GLN . 1.5 mt -61.75 -38.4 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.325 -0.859 . . . . 10.0 110.03 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -83.39 -50.88 7.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.337 -0.852 . . . . 10.0 110.174 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' B' ' 21' ' ' GLU . 7.5 mm100 -73.15 -30.44 63.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 10.0 110.193 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' B' ' 22' ' ' VAL . 0.6 OUTLIER 40.35 64.63 4.53 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.367 -0.833 . . . . 10.0 110.074 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.66 159.67 52.61 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 O-C-N 124.034 1.544 . . . . 10.0 110.665 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.26 -20.48 37.13 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.022 1.538 . . . . 10.0 110.336 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -138.17 120.4 15.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -0.908 . . . . 10.0 110.044 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.58 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.1 OUTLIER -81.27 -66.4 0.89 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.216 -0.928 . . . . 10.0 110.199 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.58 ' C ' ' O ' ' B' ' 30' ' ' LEU . 9.7 t -27.91 -54.24 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 CA-C-O 121.77 0.795 . . . . 10.0 110.005 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -66.07 -47.91 72.71 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.78 -0.575 . . . . 10.0 109.968 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' B' ' 30' ' ' LEU . 28.6 t80 -63.97 -44.39 92.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.158 -0.964 . . . . 10.0 109.622 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.38 -24.3 67.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.377 -0.827 . . . . 10.0 109.983 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.503 ' O ' ' HB ' ' B' ' 39' ' ' THR . 2.2 t -86.66 -48.23 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.262 -0.899 . . . . 10.0 109.652 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -55.83 -43.2 76.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.439 -0.788 . . . . 10.0 109.928 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.568 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 34.4 t80 -66.65 -57.4 7.27 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.893 . . . . 10.0 110.164 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 2.3 m-85 -61.28 -60.56 3.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 10.0 110.296 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 13.0 m -43.06 -41.01 3.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.144 -0.972 . . . . 10.0 109.941 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 2.4 mtt180 -59.28 -41.57 89.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.181 -0.949 . . . . 10.0 109.914 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' B' ' 37' ' ' TYR . 2.5 mp -57.43 -36.85 71.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.292 -0.88 . . . . 10.0 109.999 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.416 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -67.18 -9.42 39.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.358 -0.839 . . . . 10.0 110.154 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -128.47 1.34 5.62 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.166 -0.959 . . . . 10.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -123.92 -73.44 0.64 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.282 -0.886 . . . . 10.0 110.558 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.613 ' C ' ' O ' ' B' ' 44' ' ' ALA . 10.8 tpp180 -15.81 84.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.225 0.536 . . . . 10.0 111.45 -178.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' B' ' 44' ' ' ALA . 30.2 tpt85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.952 -1.023 . . . . 10.0 110.15 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 1' ' ' HIS . 16.8 t60 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.224 0.535 . . . . 10.0 110.167 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' GLY . 3.9 mtt -110.84 54.16 0.68 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 10.0 110.233 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' MET . . . 43.29 -116.99 1.48 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.521 -1.432 . . . . 10.0 109.521 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.62 -179.79 6.66 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.286 -1.126 . . . . 10.0 110.138 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' A' ' 5' ' ' ILE . 1.2 tp -120.17 41.56 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.186 -0.946 . . . . 10.0 110.248 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.67 -162.32 1.22 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.281 -0.887 . . . . 10.0 110.166 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.55 ' O ' ' CD1' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -133.49 125.15 18.47 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.328 -0.857 . . . . 10.0 110.098 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.32 110.77 2.93 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 O-C-N 123.911 1.48 . . . . 10.0 110.648 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 45.9 Cg_endo -72.89 179.16 5.58 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 123.969 1.51 . . . . 10.0 110.44 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.66 -12.99 20.61 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.5 -1.44 . . . . 10.0 109.5 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.557 ' HG ' HD11 ' B' ' 30' ' ' LEU . 0.4 OUTLIER -69.46 -26.56 64.64 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -1.153 . . . . 10.0 110.196 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.548 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 88.9 m -48.55 -43.94 36.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.283 -0.885 . . . . 10.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' LEU . 1.9 mm-40 -53.62 -78.44 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 10.0 110.564 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' GLU . 1.7 mp -40.12 -52.21 2.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.359 -0.838 . . . . 10.0 110.658 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -57.54 -59.74 4.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.194 -0.941 . . . . 10.0 110.625 -179.564 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.548 ' HB2' ' O ' ' A' ' 12' ' ' THR . 1.3 tt0 -38.98 -63.41 0.53 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.169 -0.957 . . . . 10.0 109.917 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.542 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.16 -51.59 8.77 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.736 -1.745 . . . . 10.0 108.736 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.567 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -42.04 -64.71 0.55 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.29 -1.124 . . . . 10.0 109.897 179.496 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.583 ' O ' ' HB2' ' A' ' 23' A LEU . 0.8 OUTLIER -48.69 -30.87 5.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 10.0 109.79 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.558 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 54.8 t -78.6 -26.2 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.27 -0.894 . . . . 10.0 110.163 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -89.75 -47.86 7.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.159 -0.963 . . . . 10.0 109.814 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 18' ' ' TYR . 2.8 t -65.5 -20.34 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.489 -0.757 . . . . 10.0 110.087 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 19' ' ' THR . 7.6 tt -85.18 -48.9 8.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.216 -0.928 . . . . 10.0 110.026 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 1.4 mtt-85 -68.82 -65.19 0.73 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 10.0 110.008 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -62.86 -30.8 71.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.231 -0.918 . . . . 10.0 110.168 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.479 ' C ' ' O ' ' A' ' 25' ' ' GLN . 1.7 mt-30 37.82 70.24 1.27 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.414 -0.804 . . . . 10.0 110.16 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.9 157.82 60.33 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 O-C-N 124.061 1.558 . . . . 10.0 110.639 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.458 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 42.5 Cg_endo -69.05 -20.89 37.57 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 124.036 1.545 . . . . 10.0 110.266 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.463 ' OD2' ' OD2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -145.11 121.12 10.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.351 -0.843 . . . . 10.0 109.817 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.609 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -69.81 -68.84 0.39 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.254 -0.904 . . . . 10.0 110.461 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.609 ' C ' ' O ' ' A' ' 30' ' ' LEU . 5.5 t -22.73 -66.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.596 -0.69 . . . . 10.0 110.458 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -53.26 -49.62 66.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.504 -0.747 . . . . 10.0 109.582 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.597 ' N ' ' O ' ' A' ' 30' ' ' LEU . 89.5 t80 -54.59 -37.12 65.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 10.0 109.621 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.567 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -63.07 -49.77 73.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 10.0 109.991 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.525 ' O ' ' HB ' ' A' ' 39' ' ' THR . 89.8 t -62.65 -21.45 27.52 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.318 -0.864 . . . . 10.0 110.237 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 3.6 mt-10 -85.22 -49.63 8.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.307 -0.871 . . . . 10.0 110.312 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.48 ' CD1' ' OE1' ' A' ' 21' ' ' GLU . 40.3 t80 -62.75 -53.69 50.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.319 -0.863 . . . . 10.0 110.407 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 9.6 m-85 -62.7 -52.49 63.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.291 -0.881 . . . . 10.0 110.423 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.535 ' N ' HG21 ' B' ' 35' ' ' VAL . 5.0 m -48.84 -55.36 11.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.112 -0.993 . . . . 10.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -55.21 -30.06 59.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.21 -0.931 . . . . 10.0 110.136 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -64.85 -53.22 50.23 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 10.0 109.935 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -13.95 62.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.191 -0.943 . . . . 10.0 109.905 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 1.2 tp10 -105.88 -10.89 16.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.35 -0.844 . . . . 10.0 109.718 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.604 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -51.41 -70.87 0.07 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.355 -0.841 . . . . 10.0 110.586 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.604 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -22.14 133.89 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.302 0.572 . . . . 10.0 111.18 -178.668 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.034 -0.984 . . . . 10.0 110.128 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.464 ' O ' ' CG ' ' B' ' 1' ' ' HIS . 16.1 t60 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.253 0.549 . . . . 10.0 110.165 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' MET . . . . . 0.423 ' O ' ' C ' ' B' ' 3' ' ' GLY . 3.6 mtt -110.4 54.39 0.67 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.291 -0.88 . . . . 10.0 110.245 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' B' ' 2' ' ' MET . . . 43.44 -117.09 1.57 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.49 -1.444 . . . . 10.0 109.49 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.44 -179.5 6.46 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.308 -1.113 . . . . 10.0 110.162 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' B' ' 5' ' ' ILE . 1.2 tp -120.57 41.63 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.196 -0.94 . . . . 10.0 110.273 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.71 -162.38 1.23 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.232 -0.918 . . . . 10.0 110.184 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.552 ' CD1' ' O ' ' B' ' 7' ' ' ILE . 0.9 OUTLIER -133.39 125.1 18.54 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.299 -0.876 . . . . 10.0 110.086 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -71.33 110.99 2.98 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 O-C-N 123.886 1.466 . . . . 10.0 110.6 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' B' ' 7' ' ' ILE . 45.3 Cg_endo -72.95 179.38 5.4 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 O-C-N 123.995 1.524 . . . . 10.0 110.389 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.04 -12.25 22.23 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.469 -1.452 . . . . 10.0 109.469 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.58 ' HG ' HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -69.69 -27.58 65.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.196 -1.179 . . . . 10.0 110.207 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.544 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 99.9 m -47.62 -44.81 27.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 10.0 110.255 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' B' ' 14' ' ' LEU . 1.8 mm-40 -52.48 -78.38 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.467 -0.771 . . . . 10.0 110.579 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' B' ' 13' ' ' GLU . 1.8 mp -40.38 -52.61 2.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.341 -0.849 . . . . 10.0 110.786 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' B' ' 16' ' ' GLN . 0.9 OUTLIER -57.33 -59.66 4.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.216 -0.928 . . . . 10.0 110.691 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' B' ' 12' ' ' THR . 1.4 tt0 -38.93 -63.53 0.52 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.118 -0.989 . . . . 10.0 109.87 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.0 -51.51 8.44 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.787 -1.725 . . . . 10.0 108.787 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.565 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 0.5 OUTLIER -42.19 -64.5 0.58 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.331 -1.1 . . . . 10.0 110.003 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' B' ' 23' B LEU . 0.8 OUTLIER -48.74 -30.97 6.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 10.0 109.812 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.555 ' O ' ' HG3' ' B' ' 24' ' ' ARG . 56.1 t -78.51 -26.03 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.239 -0.913 . . . . 10.0 110.193 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.9 OUTLIER -89.97 -48.0 7.49 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.16 -0.963 . . . . 10.0 109.79 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.476 HG21 ' O ' ' B' ' 18' ' ' TYR . 2.8 t -65.34 -20.24 27.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.587 -0.696 . . . . 10.0 110.113 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.581 ' HB2' ' O ' ' B' ' 19' ' ' THR . 7.6 tt -85.25 -48.91 8.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.371 -0.83 . . . . 10.0 109.947 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' B' ' 20' ' ' VAL . 1.4 mtt-85 -69.04 -65.3 0.72 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 10.0 110.089 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.482 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -62.36 -30.92 71.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.261 -0.899 . . . . 10.0 110.079 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' B' ' 25' ' ' GLN . 1.7 mt-30 37.73 70.08 1.29 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.417 -0.802 . . . . 10.0 110.058 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.89 158.1 59.21 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.059 1.557 . . . . 10.0 110.633 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.459 ' HG2' ' OD1' ' B' ' 29' ' ' ASP . 42.8 Cg_endo -69.08 -21.32 36.82 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 O-C-N 124.12 1.59 . . . . 10.0 110.221 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.464 ' OD2' ' OD2' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -144.62 121.65 11.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.446 -0.784 . . . . 10.0 109.775 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.605 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.1 OUTLIER -70.1 -68.6 0.41 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 10.0 110.509 -179.71 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.605 ' C ' ' O ' ' B' ' 30' ' ' LEU . 5.5 t -22.99 -66.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.602 -0.686 . . . . 10.0 110.546 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.479 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -53.09 -49.52 66.27 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.547 -0.721 . . . . 10.0 109.53 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.591 ' N ' ' O ' ' B' ' 30' ' ' LEU . 89.6 t80 -54.72 -37.17 65.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 10.0 109.672 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.565 ' CB ' ' OH ' ' B' ' 18' ' ' TYR . . . -63.03 -49.35 74.93 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.332 -0.855 . . . . 10.0 110.069 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.535 HG21 ' N ' ' A' ' 39' ' ' THR . 88.4 t -62.88 -21.52 28.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 O-C-N 121.391 -0.818 . . . . 10.0 110.223 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 3.6 mt-10 -85.3 -49.72 7.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.332 -0.855 . . . . 10.0 110.223 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.464 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 41.0 t80 -62.66 -53.67 51.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 10.0 110.331 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 10.2 m-85 -62.75 -52.96 61.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.261 -0.899 . . . . 10.0 110.462 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.526 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 5.0 m -48.18 -55.29 10.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.066 -1.021 . . . . 10.0 109.998 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -55.42 -30.59 60.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.241 -0.912 . . . . 10.0 110.13 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 0.8 OUTLIER -64.22 -52.83 56.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.139 -0.975 . . . . 10.0 109.933 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -14.06 62.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.182 -0.949 . . . . 10.0 109.9 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.438 ' OE2' ' O ' ' B' ' 43' ' ' GLU . 1.2 tp10 -105.71 -10.99 16.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.419 -0.801 . . . . 10.0 109.713 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.604 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -51.4 -70.87 0.07 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.278 -0.889 . . . . 10.0 110.626 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.604 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -22.24 134.17 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.292 0.568 . . . . 10.0 111.15 -178.679 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 118.047 -0.978 . . . . 10.0 110.241 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 38.7 m80 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.215 0.531 . . . . 10.0 110.177 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.5 tpt -119.53 -48.92 2.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.269 -0.894 . . . . 10.0 110.042 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.05 -128.8 1.99 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.49 -1.444 . . . . 10.0 109.49 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -111.45 178.02 4.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.207 -1.172 . . . . 10.0 110.067 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 6' ' ' GLN . 0.8 OUTLIER -138.58 -166.71 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.921 . . . . 10.0 110.163 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.494 ' N ' HG23 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -164.38 152.73 12.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.203 -0.936 . . . . 10.0 110.161 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 6' ' ' GLN . 5.1 mm -148.11 115.12 3.97 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.932 . . . . 10.0 110.18 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.21 145.74 49.64 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 124.012 1.533 . . . . 10.0 110.693 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.0 157.23 47.14 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 O-C-N 124.001 1.527 . . . . 10.0 110.448 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.07 -29.6 6.39 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.546 -1.422 . . . . 10.0 109.546 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp -57.58 -53.93 52.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -1.164 . . . . 10.0 110.217 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -51.22 -32.95 25.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.92 . . . . 10.0 110.114 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' N ' HG21 ' A' ' 12' ' ' THR . 1.4 tm-20 -62.2 -55.36 29.31 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.343 -0.848 . . . . 10.0 110.089 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 HD12 ' CD2' ' B' ' 30' ' ' LEU . 8.2 mt -54.43 -58.23 8.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.268 -0.895 . . . . 10.0 110.132 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' GLN . 22.1 mt -51.68 -50.43 60.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 10.0 110.278 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -42.2 -58.08 2.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.166 -0.959 . . . . 10.0 109.916 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -44.6 -49.62 8.6 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.953 -1.659 . . . . 10.0 108.953 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.571 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -41.07 -63.28 0.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -1.076 . . . . 10.0 110.096 179.602 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.455 HG22 HG23 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -48.83 -35.33 14.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.363 -0.836 . . . . 10.0 109.703 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.538 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 20.8 t -73.29 -25.47 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.386 -0.821 . . . . 10.0 110.038 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.541 ' HB2' ' HZ ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -90.96 -56.71 3.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.291 -0.881 . . . . 10.0 109.775 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.567 HG21 ' CE2' ' A' ' 33' ' ' PHE . 3.4 t -49.45 -27.87 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 C-N-CA 120.158 -0.617 . . . . 10.0 109.977 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' A LEU . . . . . . . . . . . . . 87.2 mt -88.3 -36.0 16.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.355 -0.841 . . . . 10.0 110.0 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -77.42 -48.31 17.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.27 -0.894 . . . . 10.0 110.131 179.722 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.504 ' O ' ' C ' ' A' ' 26' ' ' GLN . 9.7 mm100 -88.26 -22.58 23.85 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.255 -0.903 . . . . 10.0 110.47 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.504 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.2 mm100 36.47 72.67 0.76 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 10.0 109.835 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.59 ' HG3' ' CG ' ' A' ' 33' ' ' PHE . 43.3 Cg_endo -68.92 160.66 48.9 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 O-C-N 124.106 1.582 . . . . 10.0 110.992 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.57 -14.53 36.84 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 124.223 1.643 . . . . 10.0 110.438 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -160.62 119.65 2.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.319 -0.863 . . . . 10.0 110.182 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.526 ' O ' ' C ' ' A' ' 31' ' ' VAL . 11.5 tp -58.23 -61.32 2.65 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.251 -0.905 . . . . 10.0 110.366 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 30' ' ' LEU . 23.1 t -33.63 -69.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.371 -0.831 . . . . 10.0 110.11 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -53.34 -42.42 66.76 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.495 -0.753 . . . . 10.0 110.063 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.59 ' CG ' ' HG3' ' A' ' 27' ' ' PRO . 26.5 t80 -60.46 -40.28 90.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.917 . . . . 10.0 109.852 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.571 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -57.76 -37.78 74.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.352 -0.842 . . . . 10.0 110.216 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.606 HG21 ' CA ' ' B' ' 39' ' ' THR . 20.2 t -70.57 -48.48 58.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.315 -0.866 . . . . 10.0 110.31 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.1 mm-40 -54.1 -56.44 18.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.405 -0.809 . . . . 10.0 110.765 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.32 -58.68 7.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.986 . . . . 10.0 110.666 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.564 ' CG ' ' HB1' ' B' ' 34' ' ' ALA . 14.6 m-85 -60.04 -53.68 55.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.239 -0.913 . . . . 10.0 110.653 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.614 ' CA ' HG21 ' B' ' 35' ' ' VAL . 23.6 m -52.33 -37.31 55.58 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.063 -1.023 . . . . 10.0 110.329 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 5.9 mtp180 -79.47 -40.63 29.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.147 -0.971 . . . . 10.0 110.1 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.497 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -47.91 -29.27 3.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.198 -0.939 . . . . 10.0 110.126 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.519 ' HG2' HG11 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -66.43 -45.16 80.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 10.0 109.957 179.848 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' OE1' ' HA ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER -60.94 -28.73 69.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 10.0 110.224 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.545 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -56.14 -70.48 0.11 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.265 -0.897 . . . . 10.0 110.571 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.545 ' C ' ' O ' ' A' ' 44' ' ' ALA . 1.3 mmt180 -28.02 -92.09 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.189 0.518 . . . . 10.0 110.94 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.448 ' NH2' ' HG3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.936 -1.031 . . . . 10.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 38.6 m80 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.258 0.551 . . . . 10.0 110.238 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 1.5 tpt -120.75 -49.12 2.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.277 -0.89 . . . . 10.0 110.048 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.09 -128.53 1.94 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.366 -1.494 . . . . 10.0 109.366 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -111.84 177.58 4.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.242 -1.152 . . . . 10.0 110.145 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.491 HG23 ' N ' ' B' ' 6' ' ' GLN . 0.8 OUTLIER -138.17 -167.0 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 10.0 110.242 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.491 ' N ' HG23 ' B' ' 5' ' ' ILE . 0.6 OUTLIER -164.48 153.02 12.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 10.0 110.181 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.41 HG12 ' O ' ' B' ' 6' ' ' GLN . 4.9 mm -148.44 115.38 3.89 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.257 -0.902 . . . . 10.0 110.165 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.16 146.06 50.7 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 O-C-N 124.01 1.531 . . . . 10.0 110.759 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -74.18 156.93 46.63 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 123.967 1.509 . . . . 10.0 110.404 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.12 -29.21 6.66 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.582 -1.407 . . . . 10.0 109.582 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.0 tp -57.65 -53.78 54.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.223 -1.163 . . . . 10.0 110.226 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 0.4 OUTLIER -51.61 -32.91 30.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.272 -0.893 . . . . 10.0 110.148 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.474 ' N ' HG21 ' B' ' 12' ' ' THR . 1.5 tm-20 -61.81 -55.23 32.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.875 . . . . 10.0 110.137 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.458 HD12 ' CD2' ' A' ' 30' ' ' LEU . 7.9 mt -54.52 -58.54 7.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.282 -0.886 . . . . 10.0 110.135 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' B' ' 16' ' ' GLN . 21.3 mt -51.36 -50.61 59.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.257 -0.902 . . . . 10.0 110.201 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.9 OUTLIER -42.14 -58.06 2.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 10.0 109.828 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.526 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -44.55 -49.89 8.45 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.899 -1.68 . . . . 10.0 108.899 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.577 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 0.6 OUTLIER -41.08 -63.34 0.69 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.411 -1.052 . . . . 10.0 110.153 179.673 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.458 HG22 HG23 ' B' ' 20' ' ' VAL . 0.5 OUTLIER -48.6 -35.48 13.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 10.0 109.661 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.538 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 20.8 t -73.1 -25.77 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.433 -0.792 . . . . 10.0 110.122 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.538 ' HB2' ' HZ ' ' B' ' 33' ' ' PHE . 0.6 OUTLIER -90.59 -56.92 3.01 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.27 -0.894 . . . . 10.0 109.807 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.564 HG21 ' CE2' ' B' ' 33' ' ' PHE . 3.4 t -49.23 -27.94 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.607 -0.683 . . . . 10.0 109.993 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' B LEU . . . . . . . . . . . . . 86.1 mt -88.31 -35.96 16.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.293 -0.879 . . . . 10.0 110.004 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -77.61 -48.31 17.19 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.3 -0.875 . . . . 10.0 110.07 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.507 ' O ' ' C ' ' B' ' 26' ' ' GLN . 9.7 mm100 -88.11 -22.67 23.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 10.0 110.394 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' B' ' 25' ' ' GLN . 5.0 mm100 36.6 72.89 0.74 Allowed Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.332 -0.855 . . . . 10.0 109.915 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.596 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 42.9 Cg_endo -69.07 160.37 50.17 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 O-C-N 124.013 1.533 . . . . 10.0 110.909 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.42 -14.45 37.19 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 O-C-N 124.085 1.571 . . . . 10.0 110.414 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -160.84 119.54 2.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.442 -0.786 . . . . 10.0 110.067 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.527 ' O ' ' C ' ' B' ' 31' ' ' VAL . 11.9 tp -58.29 -61.16 2.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.283 -0.885 . . . . 10.0 110.294 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.527 ' C ' ' O ' ' B' ' 30' ' ' LEU . 23.3 t -33.53 -69.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.45 -0.781 . . . . 10.0 110.164 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -53.73 -42.62 68.31 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.583 -0.698 . . . . 10.0 110.072 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.596 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 26.4 t80 -60.12 -40.78 90.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 10.0 109.778 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.577 ' CB ' ' OH ' ' B' ' 18' ' ' TYR . . . -57.07 -37.8 72.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.366 -0.834 . . . . 10.0 110.128 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.614 HG21 ' CA ' ' A' ' 39' ' ' THR . 23.8 t -70.58 -48.97 55.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.278 -0.889 . . . . 10.0 110.366 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 1.2 mm-40 -53.58 -56.69 14.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.373 -0.83 . . . . 10.0 110.679 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.85 -58.81 6.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.206 -0.934 . . . . 10.0 110.654 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.554 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 15.3 m-85 -60.4 -53.2 60.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 10.0 110.697 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.606 ' CA ' HG21 ' A' ' 35' ' ' VAL . 24.3 m -52.8 -36.65 58.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.03 -1.044 . . . . 10.0 110.303 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 5.8 mtp180 -80.2 -40.66 26.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.186 -0.946 . . . . 10.0 110.097 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.23 -31.75 3.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.192 -0.942 . . . . 10.0 110.133 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.502 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -63.97 -45.37 89.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.228 -0.92 . . . . 10.0 110.069 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.413 ' OE1' ' HA ' ' B' ' 43' ' ' GLU . 0.5 OUTLIER -60.89 -28.3 68.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.234 -0.916 . . . . 10.0 110.206 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.531 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -57.3 -67.04 0.36 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.255 -0.903 . . . . 10.0 110.526 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.531 ' C ' ' O ' ' B' ' 44' ' ' ALA . 1.2 mmt180 -30.54 -91.74 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.223 0.535 . . . . 10.0 110.911 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.445 ' HG3' ' NH2' ' B' ' 46' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 117.937 -1.03 . . . . 10.0 109.982 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.487 ' O ' ' CB ' ' A' ' 2' ' ' MET . 14.1 m-70 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.225 0.536 . . . . 10.0 110.093 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.487 ' CB ' ' O ' ' A' ' 1' ' ' HIS . 0.0 OUTLIER 68.97 -56.11 0.54 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.165 -0.959 . . . . 10.0 110.235 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 1' ' ' HIS . . . -69.14 148.18 47.22 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.594 -1.402 . . . . 10.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -143.62 -89.97 0.12 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.283 -1.128 . . . . 10.0 110.031 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.528 ' O ' ' CG2' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -133.88 125.66 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 10.0 110.12 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.17 102.49 4.84 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.241 -0.912 . . . . 10.0 110.232 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.519 ' C ' ' CD1' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -114.61 132.4 22.9 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.304 -0.873 . . . . 10.0 110.127 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.553 ' HG2' ' HB2' ' A' ' 11' ' ' LEU . 42.5 Cg_endo -69.79 139.74 40.84 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 O-C-N 123.997 1.525 . . . . 10.0 110.7 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.56 139.79 31.83 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 O-C-N 124.083 1.57 . . . . 10.0 110.868 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.525 ' O ' ' HB2' ' A' ' 14' ' ' LEU . . . 85.06 -20.11 18.08 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.724 -1.35 . . . . 10.0 109.724 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.553 ' HB2' ' HG2' ' A' ' 8' ' ' PRO . 2.9 tm? -52.59 -61.48 2.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -1.162 . . . . 10.0 110.563 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 13' ' ' GLU . 42.7 m -55.19 -73.47 0.05 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.237 -0.914 . . . . 10.0 110.506 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 14' ' ' LEU . 1.3 tt0 -38.88 -46.84 1.35 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.441 -0.787 . . . . 10.0 110.509 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 10' ' ' GLY . 6.3 tp -58.1 -66.59 0.46 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.086 -1.009 . . . . 10.0 110.434 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 16' ' ' GLN . 3.7 mp -45.5 -54.6 7.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.143 -0.973 . . . . 10.0 110.172 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -40.4 -55.85 2.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 10.0 109.815 179.673 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.558 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.46 -57.09 5.98 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 108.979 -1.648 . . . . 10.0 108.979 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.549 ' OH ' ' CA ' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -37.71 -63.97 0.42 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.407 -1.054 . . . . 10.0 110.285 179.776 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 23' A LEU . 0.6 OUTLIER -52.29 -33.11 40.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -0.932 . . . . 10.0 109.376 179.733 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.583 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 46.4 t -75.74 -23.38 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.509 -0.745 . . . . 10.0 110.29 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.558 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -94.03 -61.25 1.57 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.037 -1.039 . . . . 10.0 109.655 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.495 HG21 ' CE2' ' A' ' 33' ' ' PHE . 8.5 t -47.6 -33.15 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.564 -0.71 . . . . 10.0 110.348 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 19' ' ' THR . 41.4 mt -86.38 -40.05 15.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.222 -0.924 . . . . 10.0 110.344 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.583 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -85.64 13.81 6.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.107 -0.996 . . . . 10.0 110.457 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' A' ' 26' ' ' GLN . 4.9 pt20 -165.1 20.68 0.05 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.105 -0.997 . . . . 10.0 110.611 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -3.35 91.08 0.03 OUTLIER Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.555 -0.716 . . . . 10.0 111.107 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.78 170.19 15.93 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 124.069 1.562 . . . . 10.0 110.84 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.02 -33.57 19.08 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 O-C-N 124.146 1.603 . . . . 10.0 110.584 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.664 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -142.15 150.38 41.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.365 -0.834 . . . . 10.0 109.844 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 31' ' ' VAL . 1.6 tm? -90.62 -70.41 0.68 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.152 -0.967 . . . . 10.0 110.273 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.529 ' C ' ' O ' ' A' ' 30' ' ' LEU . 16.6 t -34.95 -65.39 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.387 -0.821 . . . . 10.0 109.915 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.69 -38.23 64.02 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.61 -0.681 . . . . 10.0 109.97 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.664 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 82.7 t80 -64.01 -38.68 91.94 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.147 -0.971 . . . . 10.0 109.814 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 38' ' ' PHE . . . -65.57 -23.87 66.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 10.0 109.826 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.66 HG21 ' CA ' ' B' ' 39' ' ' THR . 3.0 t -89.68 -50.64 12.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.364 -0.835 . . . . 10.0 110.184 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -57.43 -35.13 69.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 10.0 109.851 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 22.7 t80 -73.83 -58.56 3.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 10.0 110.259 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 21.7 m-85 -65.27 -41.82 93.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 10.0 110.305 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.693 ' CA ' HG21 ' B' ' 35' ' ' VAL . 51.6 m -52.3 -41.85 63.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.067 -1.021 . . . . 10.0 110.061 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 14.2 mtm180 -71.74 -39.48 70.03 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.204 -0.935 . . . . 10.0 109.872 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.526 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -49.39 -43.71 44.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.317 -0.864 . . . . 10.0 110.092 179.822 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HG2' HG11 ' B' ' 31' ' ' VAL . 16.3 mmm-85 -51.62 -28.85 15.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.2 -0.938 . . . . 10.0 110.153 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.13 -16.39 60.54 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.284 -0.885 . . . . 10.0 110.599 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.614 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -62.15 -69.87 0.23 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.094 -1.004 . . . . 10.0 110.51 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.614 ' C ' ' O ' ' A' ' 44' ' ' ALA . 12.9 mmt180 -20.83 -89.24 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.295 0.569 . . . . 10.0 111.114 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.7 tpt85 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.921 -1.038 . . . . 10.0 110.145 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' B' ' 2' ' ' MET . 14.3 m-70 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.221 0.534 . . . . 10.0 110.142 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' MET . . . . . 0.484 ' CB ' ' O ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER 68.82 -56.23 0.53 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.21 -0.931 . . . . 10.0 110.244 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' B' ' 1' ' ' HIS . . . -68.56 147.66 47.29 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.586 -1.406 . . . . 10.0 109.586 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -143.36 -89.78 0.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -1.193 . . . . 10.0 110.14 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.525 ' CG2' ' O ' ' B' ' 5' ' ' ILE . 0.4 OUTLIER -134.02 125.79 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 10.0 109.985 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.93 101.89 4.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.206 -0.934 . . . . 10.0 110.234 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.521 ' C ' ' CD1' ' B' ' 7' ' ' ILE . 1.0 OUTLIER -114.23 132.22 22.86 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 10.0 110.07 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.557 ' HG2' ' HB2' ' B' ' 11' ' ' LEU . 42.7 Cg_endo -69.94 139.6 39.98 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 O-C-N 123.971 1.511 . . . . 10.0 110.659 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.68 139.89 31.63 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 O-C-N 124.099 1.579 . . . . 10.0 110.792 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.531 ' O ' ' HB2' ' B' ' 14' ' ' LEU . . . 85.12 -19.98 19.06 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.769 -1.333 . . . . 10.0 109.769 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.557 ' HB2' ' HG2' ' B' ' 8' ' ' PRO . 2.9 tm? -52.95 -62.69 1.49 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.255 -1.144 . . . . 10.0 110.599 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.436 ' O ' ' C ' ' B' ' 13' ' ' GLU . 50.3 m -53.71 -73.53 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.265 -0.897 . . . . 10.0 110.498 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' B' ' 14' ' ' LEU . 1.3 tt0 -38.95 -46.83 1.37 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.502 -0.749 . . . . 10.0 110.625 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.531 ' HB2' ' O ' ' B' ' 10' ' ' GLY . 6.5 tp -58.28 -66.06 0.55 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.107 -0.996 . . . . 10.0 110.407 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' B' ' 16' ' ' GLN . 3.9 mp -45.89 -54.32 8.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.164 -0.96 . . . . 10.0 110.164 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -40.55 -55.59 2.28 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 10.0 109.811 179.73 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.557 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.55 -57.42 5.86 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.869 -1.693 . . . . 10.0 108.869 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.558 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 0.7 OUTLIER -37.19 -64.13 0.39 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.469 -1.018 . . . . 10.0 110.364 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' B' ' 23' B LEU . 0.6 OUTLIER -52.45 -33.45 44.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.168 -0.957 . . . . 10.0 109.385 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.58 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 45.0 t -75.26 -23.59 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.48 -0.762 . . . . 10.0 110.289 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.557 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.2 OUTLIER -94.02 -62.23 1.38 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.073 -1.017 . . . . 10.0 109.673 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.514 HG21 ' CE2' ' B' ' 33' ' ' PHE . 10.0 t -46.72 -33.12 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.596 -0.69 . . . . 10.0 110.352 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.499 ' HB2' ' O ' ' B' ' 19' ' ' THR . 41.8 mt -86.41 -40.07 15.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.12 -0.988 . . . . 10.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.58 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -85.51 13.94 6.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.207 -0.933 . . . . 10.0 110.477 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' B' ' 26' ' ' GLN . 5.1 pt20 -165.29 20.84 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.125 -0.985 . . . . 10.0 110.589 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER -3.71 91.19 0.03 OUTLIER Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 121.597 -0.689 . . . . 10.0 111.092 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.88 170.23 15.98 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 124.054 1.555 . . . . 10.0 110.792 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.26 -32.64 20.21 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 O-C-N 124.065 1.56 . . . . 10.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.666 ' O ' ' HB2' ' B' ' 33' ' ' PHE . 0.5 OUTLIER -142.87 150.2 39.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 10.0 109.867 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.525 ' O ' ' C ' ' B' ' 31' ' ' VAL . 1.7 tm? -90.66 -70.11 0.69 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.054 -1.029 . . . . 10.0 110.301 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.525 ' C ' ' O ' ' B' ' 30' ' ' LEU . 15.5 t -35.1 -65.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.401 -0.812 . . . . 10.0 109.981 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -54.15 -38.28 65.33 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.596 -0.69 . . . . 10.0 109.997 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.666 ' HB2' ' O ' ' B' ' 29' ' ' ASP . 82.6 t80 -63.96 -39.0 93.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.278 -0.889 . . . . 10.0 109.749 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.597 ' O ' ' CD2' ' B' ' 38' ' ' PHE . . . -64.79 -23.99 67.41 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.362 -0.836 . . . . 10.0 109.792 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.693 HG21 ' CA ' ' A' ' 39' ' ' THR . 3.3 t -90.1 -51.3 12.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.348 -0.845 . . . . 10.0 110.324 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -56.63 -34.54 67.37 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.258 -0.901 . . . . 10.0 109.826 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.481 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 22.4 t80 -74.51 -59.06 2.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.199 -0.938 . . . . 10.0 110.209 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 21.6 m-85 -64.89 -42.08 95.07 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.174 -0.954 . . . . 10.0 110.368 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.66 ' CA ' HG21 ' A' ' 35' ' ' VAL . 55.0 m -52.39 -41.92 63.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.165 -0.959 . . . . 10.0 110.058 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' B' ' 36' ' ' GLU . 13.3 mtm180 -71.45 -39.47 70.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.23 -0.918 . . . . 10.0 109.786 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.524 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 0.2 OUTLIER -49.55 -42.82 45.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.291 -0.881 . . . . 10.0 110.11 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.425 ' HG2' HG11 ' A' ' 31' ' ' VAL . 14.9 mmm-85 -52.4 -28.6 20.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.937 . . . . 10.0 110.203 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.42 -15.75 60.41 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.35 -0.844 . . . . 10.0 110.547 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.609 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -62.66 -69.96 0.23 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.194 -0.941 . . . . 10.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.609 ' C ' ' O ' ' B' ' 44' ' ' ALA . 12.3 mmt180 -20.62 -89.11 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 121.29 0.566 . . . . 10.0 111.143 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 34.9 tpt85 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.992 -1.004 . . . . 10.0 110.155 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.6 m80 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.266 0.555 . . . . 10.0 110.133 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.1 ttt 48.18 60.9 3.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.306 -0.871 . . . . 10.0 110.111 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.64 -43.04 0.1 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.475 -1.45 . . . . 10.0 109.475 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.21 167.85 28.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.292 -1.123 . . . . 10.0 110.056 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.9 mm -130.77 117.25 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.226 -0.921 . . . . 10.0 110.269 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.69 43.44 1.0 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.222 -0.924 . . . . 10.0 110.082 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.2 mm -114.52 112.15 46.06 Favored Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.291 -0.88 . . . . 10.0 110.223 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.03 130.7 18.19 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 O-C-N 123.97 1.51 . . . . 10.0 110.547 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -72.89 -171.21 0.73 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 123.921 1.485 . . . . 10.0 110.459 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.99 -37.36 3.44 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.492 -1.443 . . . . 10.0 109.492 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.4 tp -75.88 -9.71 58.83 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.267 -1.137 . . . . 10.0 110.267 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.478 ' CG2' ' OE1' ' A' ' 16' ' ' GLN . 3.4 m -61.25 -64.01 1.09 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.27 -0.894 . . . . 10.0 110.392 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.7 tp10 -39.09 -55.79 1.55 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.508 -0.745 . . . . 10.0 110.387 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.7 -68.51 0.19 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.207 -0.933 . . . . 10.0 110.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.482 ' HG ' ' HG ' ' B' ' 15' ' ' LEU . 7.6 mp -59.15 -55.54 33.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.904 . . . . 10.0 110.417 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.478 ' OE1' ' CG2' ' A' ' 12' ' ' THR . 1.9 tt0 -40.77 -55.48 2.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.316 -0.865 . . . . 10.0 109.905 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -45.62 -53.69 8.23 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.071 -1.612 . . . . 10.0 109.071 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.544 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -39.84 -62.29 0.73 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.418 -1.048 . . . . 10.0 110.312 179.741 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -49.64 -32.21 12.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.931 . . . . 10.0 109.748 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.548 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 41.4 t -76.91 -22.65 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.424 -0.797 . . . . 10.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.502 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -95.12 -54.79 3.3 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.069 -1.019 . . . . 10.0 109.699 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.472 HG21 ' O ' ' A' ' 18' ' ' TYR . 4.5 t -53.93 -29.54 18.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.598 -0.689 . . . . 10.0 110.115 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 19' ' ' THR . 43.5 mt -90.05 -37.51 14.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.249 -0.907 . . . . 10.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 0.4 OUTLIER -83.86 38.17 0.63 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.193 -0.942 . . . . 10.0 110.167 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HG3' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER 177.29 -28.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 10.0 109.813 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.549 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 40.21 86.85 0.12 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.347 -0.845 . . . . 10.0 110.586 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -71.58 165.26 33.06 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 O-C-N 123.833 1.438 . . . . 10.0 110.354 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.93 -22.78 35.51 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 123.929 1.489 . . . . 10.0 110.043 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.492 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 45.3 m-20 -151.11 118.26 5.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.467 -0.771 . . . . 10.0 109.652 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -65.32 -62.06 1.75 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.161 -0.962 . . . . 10.0 110.498 -179.644 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.3 t -33.32 -67.16 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.527 -0.733 . . . . 10.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.565 ' HB2' ' CZ ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -53.33 -36.7 61.59 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.527 -0.733 . . . . 10.0 109.947 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 92.9 t80 -66.88 -35.93 81.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.23 -0.919 . . . . 10.0 109.705 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.544 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -63.84 -33.67 76.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.434 -0.791 . . . . 10.0 110.032 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.576 ' O ' ' HB ' ' A' ' 39' ' ' THR . 12.0 t -76.65 -42.64 34.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 O-C-N 121.337 -0.852 . . . . 10.0 109.748 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.586 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 7.8 mt-10 -64.58 -37.9 89.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 10.0 110.549 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -65.38 -60.98 2.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.037 -1.039 . . . . 10.0 110.765 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.501 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 38.1 m-85 -65.25 -58.43 5.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.249 -0.907 . . . . 10.0 110.9 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 11.5 m -40.83 -41.31 1.55 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.066 -1.021 . . . . 10.0 110.173 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -70.09 -43.22 71.55 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.082 -1.011 . . . . 10.0 109.87 179.705 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.528 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 9.7 mt -44.62 -38.46 4.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.287 -0.883 . . . . 10.0 109.745 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.528 ' CZ ' ' HB2' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -59.7 -32.47 70.54 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.276 -0.89 . . . . 10.0 109.7 179.575 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' O ' ' C ' ' A' ' 44' ' ' ALA . 12.1 mt-10 -97.66 8.88 43.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.404 -0.81 . . . . 10.0 110.163 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.661 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -36.85 -73.32 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.363 -0.835 . . . . 10.0 110.23 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.661 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER 4.57 103.91 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.262 0.553 . . . . 10.0 111.298 -179.348 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 46' ' ' ARG . 2.2 tpp180 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 117.911 -1.042 . . . . 10.0 110.068 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 16.1 m80 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.259 0.552 . . . . 10.0 110.136 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 2.1 ttt 47.5 60.24 3.61 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.177 -0.952 . . . . 10.0 110.222 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.53 -42.97 0.1 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.558 -1.417 . . . . 10.0 109.558 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.75 166.98 30.7 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.315 -1.109 . . . . 10.0 110.066 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 10.3 mm -129.69 117.61 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.252 -0.905 . . . . 10.0 110.318 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -149.09 43.58 0.96 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 10.0 109.999 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.424 HD13 HD13 ' A' ' 23' A LEU . 40.8 mm -114.63 112.24 45.69 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.312 -0.867 . . . . 10.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.416 ' HD2' HD22 ' A' ' 23' A LEU . 45.1 Cg_endo -70.94 130.66 18.22 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 124.043 1.549 . . . . 10.0 110.667 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.84 -172.0 0.88 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 123.925 1.487 . . . . 10.0 110.485 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.72 -37.41 3.43 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.495 -1.442 . . . . 10.0 109.495 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 21.6 tp -75.79 -9.61 58.74 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.261 -1.141 . . . . 10.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.491 ' CG2' ' OE1' ' B' ' 16' ' ' GLN . 3.3 m -61.23 -64.18 1.04 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.339 -0.85 . . . . 10.0 110.376 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.8 tp10 -38.88 -55.99 1.44 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.642 -0.661 . . . . 10.0 110.426 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.57 -68.67 0.18 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 10.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.482 ' HG ' ' HG ' ' A' ' 15' ' ' LEU . 7.9 mp -59.11 -55.29 36.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 10.0 110.453 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.491 ' OE1' ' CG2' ' B' ' 12' ' ' THR . 1.9 tt0 -40.9 -55.45 2.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.171 -0.956 . . . . 10.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 20' ' ' VAL . . . -45.85 -53.78 8.5 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.082 -1.607 . . . . 10.0 109.082 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.543 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 0.9 OUTLIER -39.57 -62.24 0.71 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.442 -1.034 . . . . 10.0 110.311 179.704 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -49.69 -32.12 12.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.284 -0.885 . . . . 10.0 109.835 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.548 ' O ' ' HG3' ' B' ' 24' ' ' ARG . 40.7 t -77.07 -22.7 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 10.0 110.241 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.503 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.2 OUTLIER -94.95 -54.67 3.37 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.981 -1.074 . . . . 10.0 109.754 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.47 HG21 ' O ' ' B' ' 18' ' ' TYR . 4.5 t -54.07 -29.62 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.664 -0.647 . . . . 10.0 110.091 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.473 ' HB2' ' O ' ' B' ' 19' ' ' THR . 43.4 mt -89.98 -37.22 14.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.165 -0.959 . . . . 10.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' B' ' 20' ' ' VAL . 0.4 OUTLIER -83.91 37.43 0.6 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.098 -1.001 . . . . 10.0 110.256 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.555 ' HG3' ' N ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER 178.02 -28.68 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.324 -0.86 . . . . 10.0 109.856 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.555 ' N ' ' HG3' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 40.37 86.51 0.13 Allowed Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.341 -0.849 . . . . 10.0 110.665 179.614 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.38 165.32 32.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 O-C-N 123.948 1.499 . . . . 10.0 110.276 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.23 -22.99 33.71 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 O-C-N 123.899 1.473 . . . . 10.0 110.039 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.48 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 45.0 m-20 -150.91 117.97 5.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.387 -0.821 . . . . 10.0 109.737 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.536 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.2 OUTLIER -65.08 -62.44 1.55 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 10.0 110.354 -179.524 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.536 ' C ' ' O ' ' B' ' 30' ' ' LEU . 18.0 t -33.02 -67.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.452 -0.78 . . . . 10.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -52.82 -36.87 59.24 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.527 -0.733 . . . . 10.0 109.894 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' B' ' 30' ' ' LEU . 92.5 t80 -66.87 -35.99 81.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.323 -0.86 . . . . 10.0 109.701 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.543 ' CB ' ' OH ' ' B' ' 18' ' ' TYR . . . -63.52 -33.83 76.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.379 -0.826 . . . . 10.0 109.945 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.574 ' O ' ' HB ' ' B' ' 39' ' ' THR . 13.3 t -77.01 -42.68 32.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.34 -0.85 . . . . 10.0 109.616 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 7.2 mt-10 -64.19 -38.28 90.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 10.0 110.478 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -65.01 -60.88 2.55 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.021 -1.049 . . . . 10.0 110.829 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.507 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 39.2 m-85 -65.35 -58.52 5.7 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.154 -0.966 . . . . 10.0 110.821 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.574 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 8.5 m -40.79 -41.45 1.57 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.968 -1.083 . . . . 10.0 110.087 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.584 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -70.04 -43.53 71.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 10.0 109.833 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.538 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 9.3 mt -44.25 -38.47 3.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 10.0 109.681 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -59.38 -33.67 71.49 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.91 . . . . 10.0 109.777 179.568 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' B' ' 44' ' ' ALA . 12.4 mt-10 -96.38 9.32 41.6 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -0.822 . . . . 10.0 110.076 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.663 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -37.08 -73.75 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.366 -0.834 . . . . 10.0 110.078 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.663 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.1 OUTLIER 5.02 103.59 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 121.269 0.557 . . . . 10.0 111.257 -179.407 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' B' ' 46' ' ' ARG . 2.2 tpp180 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.002 -0.999 . . . . 10.0 110.187 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 121.16 0.505 . . . . 10.0 110.242 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.445 ' HG2' ' N ' ' A' ' 3' ' ' GLY . 4.6 ttp -174.71 -66.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.099 -1.0 . . . . 10.0 110.135 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 2' ' ' MET . . . 43.63 -164.22 0.04 OUTLIER Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.564 -1.414 . . . . 10.0 109.564 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -107.88 4.34 25.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.251 -1.147 . . . . 10.0 110.202 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.519 ' O ' ' CG2' ' A' ' 5' ' ' ILE . 1.5 mp -111.03 90.65 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.234 -0.916 . . . . 10.0 110.043 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.432 ' O ' ' CG ' ' A' ' 6' ' ' GLN . 12.8 pt20 -151.85 131.06 12.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.345 -0.847 . . . . 10.0 110.104 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -140.21 133.28 14.98 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.923 . . . . 10.0 110.155 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.19 142.17 41.13 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 O-C-N 124.078 1.567 . . . . 10.0 110.632 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.25 -176.98 2.7 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 O-C-N 123.983 1.517 . . . . 10.0 110.453 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.18 -43.5 3.14 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.389 -1.484 . . . . 10.0 109.389 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tp -66.85 -50.19 63.32 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.224 -1.163 . . . . 10.0 110.038 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 1.3 m -53.27 -25.19 13.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.907 . . . . 10.0 110.237 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -75.84 -63.07 1.39 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 10.0 110.355 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD21 HD22 ' B' ' 30' ' ' LEU . 0.6 OUTLIER -46.26 -51.21 14.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.163 -0.961 . . . . 10.0 110.334 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' N ' HD23 ' A' ' 15' ' ' LEU . 5.7 mt -60.43 -51.59 68.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.169 -0.957 . . . . 10.0 110.098 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.505 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -42.94 -50.6 5.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.212 -0.93 . . . . 10.0 109.727 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -53.08 -59.65 9.16 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.156 -1.578 . . . . 10.0 109.156 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.537 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -40.02 -58.59 1.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.384 -1.068 . . . . 10.0 110.105 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.99 -41.1 46.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.859 . . . . 10.0 109.618 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.53 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 49.6 t -70.41 -27.81 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.358 -0.839 . . . . 10.0 110.217 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -88.34 -67.81 0.81 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.119 -0.988 . . . . 10.0 109.538 179.594 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.503 ' CA ' ' OE1' ' A' ' 25' ' ' GLN . 6.2 t -41.55 -25.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.615 -0.678 . . . . 10.0 110.09 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' GLU . 3.5 tp -89.97 -32.78 16.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.273 -0.892 . . . . 10.0 110.466 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -87.89 11.96 14.37 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.185 -0.947 . . . . 10.0 110.806 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.659 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -168.54 44.15 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.941 -1.099 . . . . 10.0 110.606 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.659 ' C ' ' O ' ' A' ' 25' ' ' GLN . 4.4 mm-40 -14.17 94.69 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.643 -0.661 . . . . 10.0 110.904 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.595 ' HD3' ' OE1' ' A' ' 25' ' ' GLN . 46.3 Cg_endo -70.9 147.32 55.29 Favored 'Trans proline' 0 C--N 1.301 -1.935 0 O-C-N 124.471 1.774 . . . . 10.0 110.856 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.06 -20.29 33.63 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 123.995 1.524 . . . . 10.0 109.989 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 29' ' ' ASP . 4.5 p30 -160.05 116.69 2.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.375 -0.828 . . . . 10.0 109.99 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.62 ' O ' ' C ' ' A' ' 31' ' ' VAL . 6.3 tp -64.66 -66.24 0.57 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.239 -0.913 . . . . 10.0 110.28 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.62 ' C ' ' O ' ' A' ' 30' ' ' LEU . 10.0 t -25.37 -62.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 CA-C-O 121.572 0.701 . . . . 10.0 110.25 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.93 -53.03 62.67 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.663 -0.648 . . . . 10.0 109.646 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -52.24 -65.69 0.51 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.139 -0.976 . . . . 10.0 108.854 178.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.537 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -43.39 -32.01 0.77 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.464 -0.772 . . . . 10.0 109.99 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.548 ' O ' ' HB ' ' A' ' 39' ' ' THR . 2.4 t -83.18 -55.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 O-C-N 121.122 -0.986 . . . . 10.0 110.07 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -36.84 68.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.285 -0.885 . . . . 10.0 110.007 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.473 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 70.4 t80 -72.63 -64.22 1.0 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.186 -0.946 . . . . 10.0 110.459 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.436 ' CE1' HD23 ' A' ' 14' ' ' LEU . 11.1 m-85 -56.94 -55.69 31.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.238 -0.914 . . . . 10.0 110.442 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.549 ' CA ' HG21 ' B' ' 35' ' ' VAL . 18.8 m -48.02 -53.38 16.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.0 -1.063 . . . . 10.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -63.43 -23.45 67.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.261 -0.899 . . . . 10.0 110.016 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.497 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -73.95 -30.8 62.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.844 . . . . 10.0 110.068 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.462 ' HG2' HG11 ' B' ' 31' ' ' VAL . 0.9 OUTLIER -59.84 -18.07 41.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.265 -0.897 . . . . 10.0 110.138 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.35 -21.35 35.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.271 -0.893 . . . . 10.0 110.242 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.639 ' O ' ' N ' ' A' ' 46' ' ' ARG . . . -47.93 -71.72 0.06 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.147 -0.97 . . . . 10.0 110.671 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.612 ' O ' ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -34.37 85.71 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.138 0.494 . . . . 10.0 111.281 -178.467 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.639 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 117.943 -1.027 . . . . 10.0 109.967 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.159 0.504 . . . . 10.0 110.264 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' MET . . . . . 0.458 ' HG2' ' N ' ' B' ' 3' ' ' GLY . 4.4 ttp -172.9 -65.18 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.173 -0.954 . . . . 10.0 110.055 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . 0.458 ' N ' ' HG2' ' B' ' 2' ' ' MET . . . 43.68 -164.73 0.03 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.539 -1.425 . . . . 10.0 109.539 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -107.37 3.78 25.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.358 -1.084 . . . . 10.0 110.138 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.519 ' CG2' ' O ' ' B' ' 5' ' ' ILE . 1.5 mp -110.52 90.8 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.299 -0.875 . . . . 10.0 110.083 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.429 ' O ' ' CG ' ' B' ' 6' ' ' GLN . 13.1 pt20 -151.66 130.86 12.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.258 -0.901 . . . . 10.0 110.2 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -140.15 133.11 14.96 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.198 -0.939 . . . . 10.0 110.22 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -71.17 142.1 41.05 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 O-C-N 124.029 1.542 . . . . 10.0 110.603 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.22 -177.09 2.76 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 124.028 1.541 . . . . 10.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.16 -43.69 3.15 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.466 -1.454 . . . . 10.0 109.466 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.7 -49.63 65.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.231 -1.158 . . . . 10.0 110.094 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.504 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 1.4 m -53.91 -24.79 17.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 10.0 110.247 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -76.35 -62.14 1.72 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.244 -0.91 . . . . 10.0 110.313 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.456 HD21 HD22 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -47.1 -50.37 20.15 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.216 -0.928 . . . . 10.0 110.352 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.446 HD23 ' N ' ' B' ' 15' ' ' LEU . 5.6 mt -61.23 -51.71 67.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 10.0 110.168 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -42.84 -50.29 5.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.281 -0.887 . . . . 10.0 109.77 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.523 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -53.38 -59.86 9.01 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.144 -1.583 . . . . 10.0 109.144 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.541 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 0.4 OUTLIER -39.93 -58.58 1.37 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.408 -1.054 . . . . 10.0 110.057 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.07 -41.05 47.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.237 -0.914 . . . . 10.0 109.651 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.529 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 49.1 t -70.41 -27.69 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.392 -0.818 . . . . 10.0 110.171 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.8 OUTLIER -88.45 -67.99 0.8 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.193 -0.942 . . . . 10.0 109.478 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.5 ' CA ' ' OE1' ' B' ' 25' ' ' GLN . 5.9 t -41.41 -25.44 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.637 -0.664 . . . . 10.0 110.15 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.479 ' N ' ' O ' ' B' ' 21' ' ' GLU . 3.3 tp -90.24 -32.76 16.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 10.0 110.369 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -87.55 11.77 14.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.101 -0.999 . . . . 10.0 110.817 -179.571 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.663 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -168.38 44.0 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.072 -1.017 . . . . 10.0 110.641 179.622 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.663 ' C ' ' O ' ' B' ' 25' ' ' GLN . 4.5 mm-40 -14.19 94.78 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.948 0 O-C-N 121.606 -0.684 . . . . 10.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.596 ' HD3' ' OE1' ' B' ' 25' ' ' GLN . 46.0 Cg_endo -70.78 147.45 56.33 Favored 'Trans proline' 0 C--N 1.3 -1.984 0 O-C-N 124.474 1.776 . . . . 10.0 110.916 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.1 -20.12 33.66 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.031 1.543 . . . . 10.0 110.003 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' B' ' 29' ' ' ASP . 4.7 p30 -160.35 116.49 2.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.455 -0.778 . . . . 10.0 110.012 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.617 ' O ' ' C ' ' B' ' 31' ' ' VAL . 6.4 tp -64.29 -66.29 0.56 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.23 -0.919 . . . . 10.0 110.437 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.617 ' C ' ' O ' ' B' ' 30' ' ' LEU . 10.0 t -25.16 -63.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.521 -0.737 . . . . 10.0 110.253 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -53.17 61.06 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.686 -0.634 . . . . 10.0 109.563 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' B' ' 30' ' ' LEU . 0.8 OUTLIER -52.04 -65.81 0.49 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.2 -0.938 . . . . 10.0 108.86 178.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.541 ' CB ' ' OH ' ' B' ' 18' ' ' TYR . . . -43.21 -31.91 0.67 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 10.0 110.047 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.549 HG21 ' CA ' ' A' ' 39' ' ' THR . 2.4 t -83.39 -55.82 6.69 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 O-C-N 121.164 -0.96 . . . . 10.0 110.063 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -36.21 67.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.281 -0.887 . . . . 10.0 110.077 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.467 ' HB2' ' CE1' ' B' ' 33' ' ' PHE . 70.3 t80 -73.25 -64.0 1.07 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.286 -0.884 . . . . 10.0 110.403 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.435 ' CE1' HD23 ' B' ' 14' ' ' LEU . 11.1 m-85 -57.32 -55.29 36.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 10.0 110.473 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.545 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 18.8 m -48.33 -53.07 18.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.986 -1.071 . . . . 10.0 110.038 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -64.05 -23.3 67.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 10.0 110.024 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.491 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 0.4 OUTLIER -73.9 -29.77 62.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.35 -0.844 . . . . 10.0 110.047 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.467 ' HG3' HG13 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -60.89 -18.34 55.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 10.0 110.187 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.88 -21.44 37.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.887 . . . . 10.0 110.211 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.641 ' O ' ' N ' ' B' ' 46' ' ' ARG . . . -47.8 -71.76 0.06 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.167 -0.958 . . . . 10.0 110.631 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.609 ' O ' ' HB2' ' B' ' 46' ' ' ARG . 0.0 OUTLIER -34.44 85.81 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.022 0.439 . . . . 10.0 111.268 -178.473 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.641 ' N ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 118.006 -0.997 . . . . 10.0 109.901 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 22.6 m80 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.27 0.557 . . . . 10.0 110.112 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.5 ttp -148.16 -13.12 0.36 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.21 -0.931 . . . . 10.0 110.728 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.414 ' O ' ' CD2' ' A' ' 4' ' ' HIS . . . 146.96 156.46 6.95 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.6 -1.4 . . . . 10.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 3' ' ' GLY . 1.2 m170 -161.29 82.97 0.63 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.2 -1.176 . . . . 10.0 110.116 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.578 ' O ' ' CD1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -119.87 52.27 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.16 -0.963 . . . . 10.0 110.073 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.468 ' C ' HG12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -168.4 36.63 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.111 -0.993 . . . . 10.0 110.271 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.468 HG12 ' C ' ' A' ' 6' ' ' GLN . 27.3 mm -153.84 119.14 2.77 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.283 -0.886 . . . . 10.0 110.137 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -71.46 152.1 59.97 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 124.031 1.543 . . . . 10.0 110.734 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.96 -169.12 0.52 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 O-C-N 124.01 1.531 . . . . 10.0 110.453 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.22 -45.01 3.42 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.469 -1.452 . . . . 10.0 109.469 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.453 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -72.41 -27.44 62.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.215 -1.168 . . . . 10.0 110.022 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 4.7 m -69.19 -25.7 64.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.864 . . . . 10.0 110.281 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -75.72 -43.12 48.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 10.0 110.305 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.28 -45.67 92.24 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.289 -0.882 . . . . 10.0 110.377 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.467 ' HG ' ' HG ' ' B' ' 15' ' ' LEU . 4.9 mp -66.31 -60.53 2.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.868 . . . . 10.0 110.616 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -38.28 -66.16 0.29 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.189 -0.944 . . . . 10.0 110.102 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.535 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.96 -46.54 14.55 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.985 -1.646 . . . . 10.0 108.985 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.733 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -43.87 -62.21 1.19 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.378 -1.072 . . . . 10.0 110.181 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.523 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -51.18 -32.42 23.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.374 -0.829 . . . . 10.0 110.103 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.43 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 16.3 t -74.55 -22.18 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.184 -0.947 . . . . 10.0 110.4 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.7 OUTLIER -91.64 -56.55 3.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.071 -1.018 . . . . 10.0 109.637 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.576 HG23 ' CE2' ' A' ' 33' ' ' PHE . 3.5 t -51.17 -28.8 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.649 -0.657 . . . . 10.0 110.174 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 19' ' ' THR . 2.7 mt -89.17 -33.91 16.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 10.0 109.924 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 3.3 tpt180 -73.36 -68.8 0.47 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 10.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.512 ' HG3' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -77.64 -26.26 50.33 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.183 -0.948 . . . . 10.0 110.24 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.518 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 42.91 74.73 0.72 Allowed Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.178 -0.952 . . . . 10.0 110.155 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HD3' ' HG3' ' A' ' 25' ' ' GLN . 44.6 Cg_endo -70.67 170.49 17.54 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 124.116 1.588 . . . . 10.0 110.564 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 43.2 Cg_endo -69.66 -49.41 0.58 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 124.046 1.55 . . . . 10.0 110.549 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -119.41 147.06 44.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.235 -0.916 . . . . 10.0 110.182 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -85.38 -47.59 9.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.293 -0.879 . . . . 10.0 109.901 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.448 HG13 ' HB3' ' B' ' 41' ' ' LEU . 12.7 t -43.51 -68.96 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 10.0 109.723 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -49.69 -36.2 24.31 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.518 -0.739 . . . . 10.0 109.909 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.733 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 17.2 t80 -66.72 -43.52 84.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.933 . . . . 10.0 109.591 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.575 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -60.25 -30.88 69.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.425 -0.797 . . . . 10.0 109.821 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.656 ' O ' ' HB ' ' A' ' 39' ' ' THR . 24.2 t -83.69 -31.27 8.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 121.332 -0.855 . . . . 10.0 110.274 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -77.26 -36.11 54.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.291 -0.88 . . . . 10.0 110.427 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.503 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 52.3 t80 -73.39 -58.17 3.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.17 -0.956 . . . . 10.0 110.599 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.455 ' CB ' HG23 ' B' ' 35' ' ' VAL . 20.9 m-85 -61.34 -52.79 63.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.175 -0.953 . . . . 10.0 110.522 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.656 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 3.8 m -48.63 -53.33 19.01 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.993 -1.067 . . . . 10.0 109.528 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 43' ' ' GLU . 67.6 ttt180 -57.72 -25.8 60.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.82 . . . . 10.0 109.826 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.417 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -61.37 -40.59 94.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 10.0 109.765 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.405 ' NH1' ' CG ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -53.5 -25.15 15.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.335 -0.853 . . . . 10.0 110.273 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.499 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -66.31 -28.44 68.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -0.911 . . . . 10.0 109.895 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' A' ' 45' ' ' ARG . . . -61.41 -69.88 0.22 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -0.855 . . . . 10.0 110.384 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.493 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -40.83 166.24 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 120.274 -0.57 . . . . 10.0 110.527 -178.677 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 45' ' ' ARG . 4.5 ttm180 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 117.932 -1.032 . . . . 10.0 110.187 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 22.5 m80 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.291 0.567 . . . . 10.0 110.27 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 4.4 ttp -148.89 -14.99 0.31 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 10.0 110.641 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . 0.445 ' O ' ' CD2' ' B' ' 4' ' ' HIS . . . 148.46 156.5 7.12 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.595 -1.402 . . . . 10.0 109.595 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' B' ' 3' ' ' GLY . 1.4 m170 -161.08 82.72 0.64 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -1.157 . . . . 10.0 110.13 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.59 ' O ' ' CD1' ' B' ' 5' ' ' ILE . 0.2 OUTLIER -119.59 51.8 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.274 -0.891 . . . . 10.0 110.168 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.471 ' C ' HG12 ' B' ' 7' ' ' ILE . 0.0 OUTLIER -168.21 36.77 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.154 -0.966 . . . . 10.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.471 HG12 ' C ' ' B' ' 6' ' ' GLN . 27.1 mm -153.69 119.31 2.81 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.264 -0.897 . . . . 10.0 110.19 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.51 152.01 59.58 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 O-C-N 124.007 1.53 . . . . 10.0 110.693 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.92 -169.03 0.51 Allowed 'Trans proline' 0 C--N 1.303 -1.82 0 O-C-N 124.035 1.545 . . . . 10.0 110.461 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.15 -45.1 3.43 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.49 -1.444 . . . . 10.0 109.49 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.453 HD12 ' O ' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -72.27 -27.1 62.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.205 -1.174 . . . . 10.0 110.032 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 4.7 m -69.44 -26.05 64.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.26 -0.9 . . . . 10.0 110.3 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -75.54 -43.5 48.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.913 . . . . 10.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.82 -46.2 90.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.22 -0.925 . . . . 10.0 110.394 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.467 ' HG ' ' HG ' ' A' ' 15' ' ' LEU . 4.9 mp -65.87 -60.48 2.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.272 -0.892 . . . . 10.0 110.571 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.486 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -38.12 -66.36 0.27 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.312 -0.868 . . . . 10.0 110.135 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.96 -46.72 14.65 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.977 -1.649 . . . . 10.0 108.977 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.723 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 0.4 OUTLIER -43.57 -62.08 1.19 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.411 -1.053 . . . . 10.0 110.159 179.704 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.525 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -51.38 -32.37 25.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.41 -0.806 . . . . 10.0 110.015 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.422 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 16.5 t -74.75 -22.29 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.908 . . . . 10.0 110.437 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.7 OUTLIER -91.4 -56.54 3.09 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.197 -0.94 . . . . 10.0 109.688 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.575 HG23 ' CE2' ' B' ' 33' ' ' PHE . 3.4 t -51.14 -29.07 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.594 -0.691 . . . . 10.0 110.175 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.525 ' HB2' ' O ' ' B' ' 19' ' ' THR . 2.8 mt -88.93 -33.69 17.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.102 -0.999 . . . . 10.0 109.926 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 3.4 tpt180 -73.56 -68.52 0.5 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.354 -0.841 . . . . 10.0 110.32 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.504 ' HG3' ' HD3' ' B' ' 27' ' ' PRO . 0.0 OUTLIER -77.85 -26.29 49.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.183 -0.948 . . . . 10.0 110.155 -179.774 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.517 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 42.99 74.68 0.74 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.178 -0.951 . . . . 10.0 110.241 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.504 ' HD3' ' HG3' ' B' ' 25' ' ' GLN . 45.0 Cg_endo -70.67 170.2 18.24 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 O-C-N 124.118 1.588 . . . . 10.0 110.522 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.41 ' HB2' ' OD1' ' B' ' 29' ' ' ASP . 43.0 Cg_endo -69.64 -49.18 0.6 Allowed 'Trans proline' 0 C--N 1.304 -1.776 0 O-C-N 124.05 1.552 . . . . 10.0 110.631 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.41 ' OD1' ' HB2' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -119.57 146.79 45.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.253 -0.904 . . . . 10.0 110.188 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 0.4 OUTLIER -85.19 -47.48 10.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.335 -0.853 . . . . 10.0 109.966 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' B' ' 30' ' ' LEU . 12.4 t -43.6 -69.0 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.204 -0.935 . . . . 10.0 109.743 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -49.71 -36.03 23.97 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.618 -0.676 . . . . 10.0 109.885 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.723 ' CE2' ' CE1' ' B' ' 18' ' ' TYR . 17.2 t80 -66.89 -42.79 84.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 10.0 109.581 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.563 ' CB ' ' OH ' ' B' ' 18' ' ' TYR . . . -61.11 -30.99 70.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.391 -0.818 . . . . 10.0 109.859 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.652 ' O ' ' HB ' ' B' ' 39' ' ' THR . 22.3 t -83.6 -29.9 7.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.381 -0.824 . . . . 10.0 110.249 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.516 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -78.8 -35.61 44.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.321 -0.862 . . . . 10.0 110.461 -179.667 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.516 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 51.1 t80 -74.04 -57.3 4.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.199 -0.938 . . . . 10.0 110.556 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.478 ' CG ' ' HB3' ' A' ' 34' ' ' ALA . 21.2 m-85 -62.34 -50.98 69.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.167 -0.958 . . . . 10.0 110.448 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.652 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 3.6 m -49.69 -53.17 26.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.929 -1.107 . . . . 10.0 109.494 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' B' ' 43' ' ' GLU . 67.8 ttt180 -58.15 -25.15 61.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.466 -0.771 . . . . 10.0 109.886 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.448 ' HB3' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -61.9 -41.24 97.67 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.245 -0.91 . . . . 10.0 109.772 179.688 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -24.98 10.14 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.33 -0.856 . . . . 10.0 110.296 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.5 ' HB3' ' O ' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -66.52 -28.8 68.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.215 -0.928 . . . . 10.0 109.856 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.499 ' O ' ' O ' ' B' ' 45' ' ' ARG . . . -60.97 -70.15 0.2 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.24 -0.913 . . . . 10.0 110.33 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.499 ' O ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -40.86 166.53 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 120.27 -0.572 . . . . 10.0 110.527 -178.764 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' B' ' 45' ' ' ARG . 4.8 ttm180 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 118.027 -0.987 . . . . 10.0 110.251 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.189 0.518 . . . . 10.0 110.319 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.08 -38.58 0.18 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.204 -0.935 . . . . 10.0 110.167 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.434 ' HA3' ' NE2' ' A' ' 6' ' ' GLN . . . -152.76 112.26 0.52 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.503 -1.439 . . . . 10.0 109.503 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.79 -23.4 3.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -1.136 . . . . 10.0 110.417 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -115.76 47.42 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.11 -0.994 . . . . 10.0 110.368 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.434 ' NE2' ' HA3' ' A' ' 3' ' ' GLY . 6.8 pt20 -128.54 -155.98 0.73 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.186 -0.946 . . . . 10.0 109.943 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.734 HD11 ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -41.44 150.21 0.34 Allowed Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.062 -1.024 . . . . 10.0 110.505 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.52 ' HG2' ' CB ' ' A' ' 11' ' ' LEU . 49.0 Cg_endo -74.65 156.53 44.56 Favored 'Trans proline' 0 C--N 1.299 -2.074 0 O-C-N 124.091 1.574 . . . . 10.0 110.927 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -74.28 143.45 31.68 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 O-C-N 124.108 1.583 . . . . 10.0 110.466 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.04 -28.74 5.41 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.497 -1.441 . . . . 10.0 109.497 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 2.6 tm? -75.27 -40.09 59.13 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.287 -1.126 . . . . 10.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 15' ' ' LEU . 2.4 m -54.43 -78.0 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.304 -0.873 . . . . 10.0 110.588 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.506 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.5 mm-40 -34.4 -55.85 0.52 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.586 -0.696 . . . . 10.0 110.642 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -36.77 74.75 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.17 -0.956 . . . . 10.0 110.18 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -69.48 -70.87 0.25 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.172 -0.955 . . . . 10.0 110.286 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.526 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 1.9 mt-30 -41.09 -32.91 0.28 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.373 -0.829 . . . . 10.0 110.149 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -65.41 -53.49 32.07 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.191 -1.563 . . . . 10.0 109.191 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.661 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -69.3 -34.94 75.46 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.316 -1.108 . . . . 10.0 109.343 179.378 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.487 ' OG1' HD11 ' A' ' 15' ' ' LEU . 1.4 m -64.81 -39.96 94.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.341 -0.849 . . . . 10.0 109.668 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 16' ' ' GLN . 66.9 t -64.13 -29.13 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.311 -0.868 . . . . 10.0 109.698 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.661 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -71.28 -34.38 70.62 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.249 -0.907 . . . . 10.0 109.029 179.418 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.554 ' O ' ' N ' ' A' ' 26' ' ' GLN . 1.6 t -73.04 -55.92 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.703 -0.623 . . . . 10.0 109.816 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.487 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -55.85 -19.02 10.15 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.108 -0.995 . . . . 10.0 109.643 179.485 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -49.14 6.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.426 -0.796 . . . . 10.0 110.143 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' GLN . 14.5 mm-40 -89.57 -21.24 22.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 10.0 110.465 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.8 OUTLIER 43.41 64.15 7.0 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.141 -0.974 . . . . 10.0 110.093 -179.83 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.598 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -69.97 151.1 67.74 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.083 1.57 . . . . 10.0 110.707 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.73 -23.4 31.0 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 123.996 1.524 . . . . 10.0 110.219 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -134.26 125.06 26.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.371 -0.831 . . . . 10.0 110.059 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.618 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -80.7 -66.26 0.91 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.228 -0.92 . . . . 10.0 110.402 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.618 ' C ' ' O ' ' A' ' 30' ' ' LEU . 6.9 t -21.49 -56.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-O 121.598 0.714 . . . . 10.0 110.577 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.8 t0 -66.51 -50.72 62.28 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.591 -0.693 . . . . 10.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 17.3 t80 -58.54 -51.98 67.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.046 -1.034 . . . . 10.0 109.765 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.584 ' CB ' ' CD1' ' A' ' 30' ' ' LEU . . . -56.2 -28.66 59.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.355 -0.84 . . . . 10.0 109.822 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.554 ' O ' ' HB ' ' A' ' 39' ' ' THR . 2.4 t -87.33 -51.72 12.46 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 O-C-N 121.28 -0.888 . . . . 10.0 110.068 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -48.35 -38.61 19.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.107 -0.996 . . . . 10.0 110.228 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.536 ' CD2' ' OE1' ' A' ' 21' ' ' GLU . 5.6 t80 -74.89 -62.5 1.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.159 -0.963 . . . . 10.0 110.325 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.472 ' CZ ' ' CB ' ' A' ' 18' ' ' TYR . 12.0 m-85 -61.44 -48.72 79.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.296 -0.877 . . . . 10.0 110.391 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.554 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 44.6 m -52.45 -44.42 65.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.098 -1.001 . . . . 10.0 109.699 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -63.19 -27.12 69.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.322 -0.861 . . . . 10.0 109.8 179.602 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.403 ' HB3' ' CG1' ' B' ' 31' ' ' VAL . 12.9 tp -68.93 -35.83 77.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.386 -0.821 . . . . 10.0 109.982 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' HD3' ' CG ' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -52.38 -32.89 40.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.26 -0.9 . . . . 10.0 109.993 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -78.58 -36.93 43.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.379 -0.825 . . . . 10.0 109.97 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.488 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -42.73 -70.93 0.09 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.368 -0.833 . . . . 10.0 110.346 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -34.21 145.78 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.404 0 CA-C-O 121.282 0.563 . . . . 10.0 110.596 -178.791 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.029 -0.986 . . . . 10.0 110.209 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.181 0.515 . . . . 10.0 110.33 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.04 -38.37 0.18 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.214 -0.929 . . . . 10.0 110.195 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . 0.428 ' HA3' ' NE2' ' B' ' 6' ' ' GLN . . . -152.93 111.95 0.51 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.431 -1.468 . . . . 10.0 109.431 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.35 -23.3 3.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.161 -1.199 . . . . 10.0 110.444 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' B' ' 5' ' ' ILE . 0.6 OUTLIER -115.91 47.4 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.224 -0.923 . . . . 10.0 110.347 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.428 ' NE2' ' HA3' ' B' ' 3' ' ' GLY . 6.8 pt20 -128.53 -155.97 0.73 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.238 -0.914 . . . . 10.0 109.99 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.735 HD11 ' O ' ' B' ' 7' ' ' ILE . 0.0 OUTLIER -41.3 150.06 0.34 Allowed Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 121.124 -0.985 . . . . 10.0 110.491 -179.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.521 ' HG2' ' CB ' ' B' ' 11' ' ' LEU . 47.8 Cg_endo -74.62 156.41 44.74 Favored 'Trans proline' 0 C--N 1.3 -2.025 0 O-C-N 124.026 1.54 . . . . 10.0 110.9 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -74.23 143.42 31.84 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 O-C-N 124.109 1.584 . . . . 10.0 110.314 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.04 -28.53 5.51 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.585 -1.406 . . . . 10.0 109.585 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' B' ' 15' ' ' LEU . 2.6 tm? -75.52 -39.83 57.89 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.195 -1.179 . . . . 10.0 110.091 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.517 ' O ' ' N ' ' B' ' 15' ' ' LEU . 2.7 m -54.63 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.366 -0.834 . . . . 10.0 110.607 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.506 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.5 mm-40 -34.4 -55.78 0.52 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.516 -0.74 . . . . 10.0 110.604 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -36.52 74.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.11 -0.994 . . . . 10.0 110.184 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.568 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 0.2 OUTLIER -69.69 -70.91 0.26 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.21 -0.931 . . . . 10.0 110.222 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.527 ' O ' ' CG2' ' B' ' 20' ' ' VAL . 1.6 mt-30 -41.01 -32.68 0.25 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.257 -0.902 . . . . 10.0 110.108 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -65.85 -53.5 30.44 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.093 -1.603 . . . . 10.0 109.093 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.659 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -69.28 -34.65 75.06 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.243 -1.151 . . . . 10.0 109.375 179.427 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.493 ' OG1' HD11 ' B' ' 15' ' ' LEU . 1.5 m -65.08 -40.05 94.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.278 -0.889 . . . . 10.0 109.755 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' B' ' 16' ' ' GLN . 65.5 t -64.08 -28.83 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.389 -0.819 . . . . 10.0 109.662 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.659 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.8 OUTLIER -71.68 -33.9 69.22 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.22 -0.925 . . . . 10.0 109.085 179.427 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.554 ' O ' ' N ' ' B' ' 26' ' ' GLN . 1.6 t -73.37 -56.05 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.7 -0.625 . . . . 10.0 109.905 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.495 ' O ' ' NE2' ' B' ' 26' ' ' GLN . 0.5 OUTLIER -55.62 -19.53 10.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 10.0 109.594 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -49.51 6.74 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.393 -0.817 . . . . 10.0 110.239 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' B' ' 26' ' ' GLN . 14.9 mm-40 -89.08 -21.78 23.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.226 -0.921 . . . . 10.0 110.463 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' B' ' 22' ' ' VAL . 0.7 OUTLIER 44.11 63.92 7.76 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.242 -0.911 . . . . 10.0 110.06 -179.823 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.599 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 44.6 Cg_endo -69.91 150.91 67.94 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 O-C-N 124.075 1.566 . . . . 10.0 110.671 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.88 -23.39 30.32 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 123.994 1.523 . . . . 10.0 110.142 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -133.9 124.68 26.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.353 -0.842 . . . . 10.0 110.016 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.615 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.1 OUTLIER -80.42 -66.35 0.89 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 10.0 110.416 -179.826 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.615 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.5 t -21.51 -57.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 CA-C-O 121.623 0.725 . . . . 10.0 110.694 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' B' ' 30' ' ' LEU . 5.3 t0 -66.18 -50.85 62.46 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.571 -0.706 . . . . 10.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.599 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 17.5 t80 -58.41 -52.15 66.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.096 -1.002 . . . . 10.0 109.831 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.588 ' CB ' ' CD1' ' B' ' 30' ' ' LEU . . . -56.08 -28.78 59.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 10.0 109.889 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.553 ' O ' ' HB ' ' B' ' 39' ' ' THR . 2.4 t -87.28 -51.69 12.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 O-C-N 121.312 -0.867 . . . . 10.0 110.085 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -48.22 -38.88 19.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.113 -0.992 . . . . 10.0 110.194 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.536 ' CD2' ' OE1' ' B' ' 21' ' ' GLU . 5.6 t80 -74.87 -61.96 1.71 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 10.0 110.318 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.474 ' CZ ' ' CB ' ' B' ' 18' ' ' TYR . 11.8 m-85 -61.86 -48.58 79.88 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.922 . . . . 10.0 110.362 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.553 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 38.9 m -52.76 -44.16 66.3 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.986 -1.071 . . . . 10.0 109.641 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.5 OUTLIER -63.44 -26.73 68.86 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 10.0 109.75 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.2 tp -69.41 -35.7 76.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.346 -0.846 . . . . 10.0 109.977 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.433 ' HD3' ' CG ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -52.49 -32.28 39.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.867 . . . . 10.0 110.059 179.761 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -78.99 -37.11 40.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.918 . . . . 10.0 110.018 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.507 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -42.71 -70.78 0.1 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.419 -0.801 . . . . 10.0 110.378 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.507 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -34.32 146.18 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.251 0.548 . . . . 10.0 110.687 -178.731 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' B' ' 45' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.008 -0.996 . . . . 10.0 110.156 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 1' ' ' HIS . 74.3 t60 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.171 0.51 . . . . 10.0 110.306 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.492 ' HG3' ' O ' ' A' ' 1' ' ' HIS . 17.2 mtp -142.62 -88.75 0.14 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.241 -0.912 . . . . 10.0 110.227 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.416 ' O ' ' ND1' ' A' ' 4' ' ' HIS . . . -108.88 155.51 16.07 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.556 -1.418 . . . . 10.0 109.556 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.416 ' ND1' ' O ' ' A' ' 3' ' ' GLY . 47.4 m-70 -144.81 155.83 43.71 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.256 -1.144 . . . . 10.0 110.256 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 tp -118.9 48.25 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.236 -0.915 . . . . 10.0 110.188 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.48 170.26 16.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.224 -0.923 . . . . 10.0 110.193 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.76 138.62 28.79 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.338 -0.851 . . . . 10.0 110.089 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.69 ' HB2' ' HB2' ' A' ' 11' ' ' LEU . 46.4 Cg_endo -69.31 162.83 40.27 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 O-C-N 124.019 1.536 . . . . 10.0 110.602 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.557 ' O ' ' N ' ' A' ' 11' ' ' LEU . 52.6 Cg_endo -80.76 129.25 7.09 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 O-C-N 123.961 1.506 . . . . 10.0 111.98 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' PRO . . . 40.69 20.57 0.03 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 110.327 -1.109 . . . . 10.0 110.327 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.69 ' HB2' ' HB2' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -85.85 -21.2 28.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.056 -1.261 . . . . 10.0 110.068 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.643 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 7.3 m -62.21 -26.19 68.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 10.0 110.2 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -84.55 -54.61 4.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.286 -0.884 . . . . 10.0 110.504 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.5 mt -60.85 -48.29 82.49 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.244 -0.91 . . . . 10.0 110.415 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.527 ' HB2' HD22 ' A' ' 11' ' ' LEU . 3.5 tp -61.43 -55.9 26.17 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.124 -0.985 . . . . 10.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.643 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -41.51 -42.67 2.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.018 -1.051 . . . . 10.0 109.341 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.55 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -52.28 -65.58 3.18 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.787 -1.725 . . . . 10.0 108.787 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.578 ' CE1' ' CD2' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -38.37 -58.89 0.95 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.431 -1.04 . . . . 10.0 110.014 179.476 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 23' A LEU . 1.8 m -51.04 -34.51 29.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.357 -0.84 . . . . 10.0 109.923 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' GLY . 38.2 t -82.7 -25.11 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 10.0 110.481 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.55 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -87.18 -48.57 7.94 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.097 -1.002 . . . . 10.0 109.457 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.2 t -59.93 -36.71 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.529 -0.732 . . . . 10.0 110.081 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.537 ' HB2' ' O ' ' A' ' 19' ' ' THR . 3.3 mp -74.93 -35.51 62.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.118 -0.988 . . . . 10.0 109.82 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -69.15 -9.18 51.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.276 -0.89 . . . . 10.0 109.949 179.711 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.632 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.1 pt20 -159.9 37.75 0.18 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.387 -0.821 . . . . 10.0 109.913 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.632 ' C ' ' O ' ' A' ' 25' ' ' GLN . 2.7 mt-30 -15.92 86.6 0.03 OUTLIER Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 121.782 -0.574 . . . . 10.0 111.111 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.56 ' N ' ' O ' ' A' ' 25' ' ' GLN . 43.5 Cg_endo -69.55 162.47 41.83 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 O-C-N 124.098 1.578 . . . . 10.0 110.611 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.27 -40.23 6.37 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 O-C-N 124.074 1.565 . . . . 10.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -136.63 131.74 34.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.165 -0.959 . . . . 10.0 110.316 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.581 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -78.36 -50.1 12.37 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.196 -0.94 . . . . 10.0 110.173 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.581 ' C ' ' O ' ' A' ' 30' ' ' LEU . 5.9 t -27.43 -62.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.544 -0.723 . . . . 10.0 110.513 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.468 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -63.23 -51.79 64.79 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.475 -0.766 . . . . 10.0 110.011 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 83.0 t80 -55.71 -50.21 70.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.148 -0.97 . . . . 10.0 109.703 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.593 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -53.93 -28.79 39.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.296 -0.877 . . . . 10.0 109.699 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.652 HG21 ' CA ' ' B' ' 39' ' ' THR . 5.7 t -83.19 -56.52 5.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.402 -0.811 . . . . 10.0 109.848 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.53 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -52.35 -38.19 58.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.403 -0.811 . . . . 10.0 110.385 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.53 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 31.5 t80 -73.09 -55.75 6.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.189 -0.944 . . . . 10.0 110.617 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 10.4 m-85 -67.39 -56.12 10.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.148 -0.97 . . . . 10.0 110.617 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.64 ' CA ' HG21 ' B' ' 35' ' ' VAL . 5.5 m -44.99 -40.81 6.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.967 -1.083 . . . . 10.0 109.894 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -72.09 -37.08 69.65 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.28 -0.887 . . . . 10.0 109.986 179.71 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' HB3' ' CG1' ' B' ' 31' ' ' VAL . 2.3 tp -49.25 -52.09 29.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.176 -0.952 . . . . 10.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.529 ' HG2' ' CG1' ' B' ' 31' ' ' VAL . 3.4 mmm-85 -53.63 -33.06 53.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.11 -0.994 . . . . 10.0 110.189 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -94.23 -26.74 16.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.242 -0.912 . . . . 10.0 110.047 -179.81 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -76.26 -69.83 0.48 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.305 -0.872 . . . . 10.0 110.649 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.63 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -17.15 118.89 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.324 0.583 . . . . 10.0 111.272 -178.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 118.03 -0.986 . . . . 10.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.57 ' O ' ' CD2' ' B' ' 1' ' ' HIS . 73.2 t60 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.179 0.514 . . . . 10.0 110.313 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' B' ' 1' ' ' HIS . 15.6 mtp -142.49 -89.42 0.14 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -0.911 . . . . 10.0 110.202 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . 0.421 ' O ' ' ND1' ' B' ' 4' ' ' HIS . . . -108.59 155.56 16.09 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.518 -1.433 . . . . 10.0 109.518 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' B' ' 3' ' ' GLY . 47.0 m-70 -144.85 155.78 43.66 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.231 -1.158 . . . . 10.0 110.176 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 1.4 tp -118.73 48.9 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 10.0 110.202 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.93 169.41 18.13 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.287 -0.883 . . . . 10.0 110.291 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.82 138.73 28.02 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.242 -0.912 . . . . 10.0 110.105 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.696 ' HB2' ' HB2' ' B' ' 11' ' ' LEU . 46.3 Cg_endo -69.29 162.86 40.12 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 O-C-N 124.048 1.552 . . . . 10.0 110.686 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.56 ' O ' ' N ' ' B' ' 11' ' ' LEU . 51.9 Cg_endo -80.68 128.93 7.02 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 124.05 1.553 . . . . 10.0 111.944 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' B' ' 9' ' ' PRO . . . 40.82 20.44 0.03 OUTLIER Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.313 -1.115 . . . . 10.0 110.313 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.696 ' HB2' ' HB2' ' B' ' 8' ' ' PRO . 0.4 OUTLIER -85.6 -20.79 28.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.071 -1.253 . . . . 10.0 110.069 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.646 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 7.0 m -62.47 -26.35 68.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -0.86 . . . . 10.0 110.155 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -84.43 -54.37 4.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.249 -0.907 . . . . 10.0 110.569 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.13 -48.3 82.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.904 . . . . 10.0 110.463 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.527 ' HB2' HD22 ' B' ' 11' ' ' LEU . 3.6 tp -61.46 -55.9 26.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.122 -0.986 . . . . 10.0 110.282 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.646 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.9 OUTLIER -41.51 -42.55 2.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.139 -0.975 . . . . 10.0 109.37 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.569 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -52.46 -64.99 3.58 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 108.764 -1.734 . . . . 10.0 108.764 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.577 ' CE1' ' CD2' ' B' ' 33' ' ' PHE . 0.8 OUTLIER -38.98 -58.73 1.07 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -1.102 . . . . 10.0 109.892 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' B' ' 23' B LEU . 1.8 m -51.05 -34.83 31.54 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 10.0 109.983 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' B' ' 17' ' ' GLY . 39.0 t -82.07 -25.03 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.232 -0.918 . . . . 10.0 110.448 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.569 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.8 OUTLIER -87.45 -48.75 7.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.017 . . . . 10.0 109.547 179.779 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' B' ' 26' ' ' GLN . 3.3 t -59.63 -36.66 66.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.549 -0.72 . . . . 10.0 110.093 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.537 ' HB2' ' O ' ' B' ' 19' ' ' THR . 3.3 mp -75.11 -35.67 61.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 10.0 109.767 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -68.95 -9.02 49.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 10.0 109.989 179.754 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.629 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.0 pt20 -160.12 37.75 0.18 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.397 -0.814 . . . . 10.0 109.93 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.629 ' C ' ' O ' ' B' ' 25' ' ' GLN . 2.6 mt-30 -15.99 86.66 0.03 OUTLIER Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.836 -0.54 . . . . 10.0 111.118 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.562 ' N ' ' O ' ' B' ' 25' ' ' GLN . 43.5 Cg_endo -69.54 162.59 41.37 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.083 1.57 . . . . 10.0 110.603 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.53 -40.56 5.52 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.086 1.571 . . . . 10.0 110.608 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -136.19 131.58 34.79 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.221 -0.925 . . . . 10.0 110.293 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.577 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.9 OUTLIER -78.17 -49.92 12.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.289 -0.882 . . . . 10.0 110.23 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.577 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.0 t -27.63 -62.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.582 -0.699 . . . . 10.0 110.539 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.467 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -63.02 -51.56 66.31 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.562 -0.711 . . . . 10.0 110.079 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.577 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 82.7 t80 -56.07 -49.96 72.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.155 -0.966 . . . . 10.0 109.729 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.593 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -54.14 -29.01 43.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 10.0 109.635 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.64 HG21 ' CA ' ' A' ' 39' ' ' THR . 5.6 t -82.88 -56.16 6.29 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.394 -0.816 . . . . 10.0 109.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.53 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -52.98 -38.08 61.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 10.0 110.366 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.53 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 31.3 t80 -73.07 -55.65 6.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.138 -0.976 . . . . 10.0 110.599 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 10.3 m-85 -67.5 -56.17 10.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 10.0 110.556 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.652 ' CA ' HG21 ' A' ' 35' ' ' VAL . 5.8 m -44.69 -41.15 6.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.088 -1.008 . . . . 10.0 109.998 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' B' ' 44' ' ' ALA . 0.1 OUTLIER -71.89 -36.95 70.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.937 . . . . 10.0 109.986 179.75 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.49 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . 2.2 tp -49.35 -52.03 30.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 10.0 110.284 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.527 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 3.2 mmm-85 -53.87 -33.22 55.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.192 -0.943 . . . . 10.0 110.181 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.459 ' O ' ' OE1' ' B' ' 43' ' ' GLU . 0.1 OUTLIER -94.16 -25.99 16.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 10.0 110.089 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.633 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -77.04 -69.99 0.49 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.181 -0.949 . . . . 10.0 110.467 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.633 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.1 OUTLIER -16.86 118.88 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.249 0.547 . . . . 10.0 111.236 -178.669 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.001 -0.999 . . . . 10.0 110.165 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 1' ' ' HIS . 2.6 t-80 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.242 0.544 . . . . 10.0 110.219 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.445 ' O ' ' O ' ' A' ' 1' ' ' HIS . 24.7 mmt -46.76 173.98 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.183 -0.948 . . . . 10.0 110.199 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.41 171.69 25.7 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.624 -1.39 . . . . 10.0 109.624 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -165.04 101.72 0.76 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.226 -1.161 . . . . 10.0 110.19 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.478 HG23 HD12 ' A' ' 7' ' ' ILE . 2.3 mm -115.6 165.23 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.192 -0.942 . . . . 10.0 110.047 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.535 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.5 mm-40 -118.73 84.07 2.13 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.181 -0.949 . . . . 10.0 110.789 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -142.42 165.02 29.57 Favored Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.203 -0.936 . . . . 10.0 109.712 179.404 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.517 ' HD2' ' CG2' ' A' ' 7' ' ' ILE . 43.8 Cg_endo -70.07 137.94 35.71 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 123.83 1.437 . . . . 10.0 110.511 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.74 160.62 47.53 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 O-C-N 123.969 1.51 . . . . 10.0 110.417 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.1 -32.38 4.93 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.343 -1.503 . . . . 10.0 109.343 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.04 -34.17 29.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.334 -1.098 . . . . 10.0 110.171 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 13' ' ' GLU . 59.8 m -52.98 -73.18 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 10.0 110.278 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.3 tt0 -37.13 -42.54 0.44 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.559 -0.713 . . . . 10.0 110.252 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -60.58 2.5 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.201 -0.937 . . . . 10.0 110.107 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.495 HD11 ' N ' ' A' ' 15' ' ' LEU . 1.6 mp -67.73 -60.48 2.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 10.0 110.226 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -39.05 -44.43 1.12 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.874 . . . . 10.0 109.685 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -55.57 -63.62 5.12 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 108.627 -1.789 . . . . 10.0 108.627 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.653 ' OH ' HD12 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -43.82 -57.91 3.01 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.326 -1.102 . . . . 10.0 109.963 179.262 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.501 ' O ' ' HB2' ' A' ' 23' A LEU . 0.2 OUTLIER -45.23 -31.68 1.61 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.409 -0.807 . . . . 10.0 110.317 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 73.8 t -86.71 -24.84 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 10.0 110.432 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.559 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -89.12 -37.18 15.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.149 -0.969 . . . . 10.0 109.757 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' GLN . 2.4 t -75.17 -42.79 44.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.514 -0.741 . . . . 10.0 110.304 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 19' ' ' THR . 8.2 mt -76.61 -31.69 57.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.147 -0.971 . . . . 10.0 110.129 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -80.73 1.75 28.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.181 -0.95 . . . . 10.0 110.435 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.692 ' O ' ' C ' ' A' ' 26' ' ' GLN . 3.5 pt20 -165.58 23.79 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.119 -0.988 . . . . 10.0 110.542 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.692 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 2.82 78.62 0.04 OUTLIER Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 121.713 -0.617 . . . . 10.0 110.982 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.5 ' CD ' ' HA ' ' A' ' 22' ' ' VAL . 43.5 Cg_endo -70.05 126.28 12.95 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 O-C-N 124.125 1.592 . . . . 10.0 110.771 -179.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.71 -5.18 15.56 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 124.009 1.531 . . . . 10.0 110.2 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.546 ' O ' ' C ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -114.32 27.82 9.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.422 -0.799 . . . . 10.0 109.906 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.653 HD12 ' OH ' ' A' ' 18' ' ' TYR . 13.9 tp -29.64 -68.79 0.07 Allowed 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.468 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.507 ' C ' ' O ' ' A' ' 30' ' ' LEU . 20.6 t -38.57 -61.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.275 -0.891 . . . . 10.0 109.346 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.512 ' HB2' ' NE ' ' B' ' 42' ' ' ARG . 0.7 OUTLIER -59.76 -50.48 73.65 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.732 -0.605 . . . . 10.0 109.389 179.24 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -50.93 -52.04 46.19 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.28 -0.888 . . . . 10.0 109.307 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.614 ' N ' ' OH ' ' A' ' 18' ' ' TYR . . . -53.05 -27.96 22.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.447 -0.783 . . . . 10.0 109.866 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.544 HG22 ' CA ' ' B' ' 39' ' ' THR . 4.4 t -85.94 -54.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.361 -0.837 . . . . 10.0 109.804 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.703 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 4.6 mm-40 -49.31 -34.65 16.11 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 10.0 110.017 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -77.54 -52.56 8.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.231 -0.918 . . . . 10.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.457 ' CD2' ' HB3' ' B' ' 34' ' ' ALA . 12.0 m-85 -72.36 -55.54 6.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.257 -0.902 . . . . 10.0 110.306 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.542 ' HA ' HG22 ' B' ' 35' ' ' VAL . 11.7 m -47.6 -49.81 25.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.173 -0.954 . . . . 10.0 110.072 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.703 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -65.81 -33.94 77.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.008 -1.057 . . . . 10.0 109.595 179.436 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -44.64 -56.28 4.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.347 -0.845 . . . . 10.0 110.302 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.431 ' HD2' ' CG1' ' B' ' 31' ' ' VAL . 0.0 OUTLIER -50.48 -33.45 21.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.194 -0.941 . . . . 10.0 110.381 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -109.63 1.83 19.86 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.198 -0.939 . . . . 10.0 110.453 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.656 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . -46.31 -81.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.161 -0.962 . . . . 10.0 110.183 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.649 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER 8.18 -121.58 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.274 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' H ' ' HB3' ' A' ' 45' ' ' ARG . 14.8 tpt180 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 120.898 -1.126 . . . . 10.0 110.21 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.495 ' O ' ' CD2' ' B' ' 1' ' ' HIS . 2.6 t-80 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.242 0.544 . . . . 10.0 110.239 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' MET . . . . . 0.451 ' O ' ' O ' ' B' ' 1' ' ' HIS . 24.4 mmt -46.59 173.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.225 -0.922 . . . . 10.0 110.155 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.24 171.28 25.74 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.547 -1.421 . . . . 10.0 109.547 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -164.76 101.91 0.79 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.183 -1.186 . . . . 10.0 110.162 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.48 HG23 HD12 ' B' ' 7' ' ' ILE . 2.3 mm -115.88 165.3 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.214 -0.929 . . . . 10.0 110.114 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.537 ' N ' HD12 ' B' ' 7' ' ' ILE . 2.5 mm-40 -118.9 84.06 2.13 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.143 -0.973 . . . . 10.0 110.793 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.537 HD12 ' N ' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -142.39 165.13 28.94 Favored Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.163 -0.961 . . . . 10.0 109.851 179.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.512 ' HD2' ' CG2' ' B' ' 7' ' ' ILE . 44.9 Cg_endo -70.16 137.92 35.38 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 O-C-N 123.906 1.477 . . . . 10.0 110.539 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.65 160.39 48.33 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 O-C-N 124.008 1.53 . . . . 10.0 110.451 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.14 -32.4 4.93 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.381 -1.488 . . . . 10.0 109.381 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -32.85 30.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -1.134 . . . . 10.0 110.223 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.484 ' O ' ' C ' ' B' ' 13' ' ' GLU . 60.0 m -54.09 -73.6 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.9 . . . . 10.0 110.384 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.4 tt0 -37.01 -42.82 0.43 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.498 -0.751 . . . . 10.0 110.322 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -60.76 2.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.383 -0.823 . . . . 10.0 110.108 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.5 ' N ' HD11 ' B' ' 15' ' ' LEU . 1.5 mp -67.71 -60.62 2.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -0.896 . . . . 10.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' B' ' 15' ' ' LEU . 0.9 OUTLIER -38.97 -44.43 1.08 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.327 -0.858 . . . . 10.0 109.738 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.509 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -55.53 -63.6 5.14 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 108.617 -1.793 . . . . 10.0 108.617 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.649 ' OH ' HD12 ' B' ' 30' ' ' LEU . 0.9 OUTLIER -43.82 -58.0 2.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.406 -1.055 . . . . 10.0 109.933 179.354 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.504 ' O ' ' HB2' ' B' ' 23' B LEU . 0.2 OUTLIER -45.18 -31.71 1.57 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.38 -0.825 . . . . 10.0 110.39 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' B' ' 24' ' ' ARG . 65.7 t -86.85 -24.48 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.911 . . . . 10.0 110.416 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.553 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -89.25 -36.87 15.36 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.139 -0.975 . . . . 10.0 109.823 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' B' ' 26' ' ' GLN . 2.3 t -75.42 -42.78 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.477 -0.765 . . . . 10.0 110.32 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.504 ' HB2' ' O ' ' B' ' 19' ' ' THR . 9.2 mt -76.61 -31.68 57.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.125 -0.985 . . . . 10.0 110.173 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -80.8 1.56 30.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.233 -0.917 . . . . 10.0 110.486 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' B' ' 26' ' ' GLN . 3.4 pt20 -165.48 24.0 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.106 -0.996 . . . . 10.0 110.408 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 2.69 78.65 0.04 OUTLIER Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.682 -0.636 . . . . 10.0 111.02 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.504 ' CD ' ' HA ' ' B' ' 22' ' ' VAL . 43.9 Cg_endo -70.03 125.97 12.6 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.057 1.556 . . . . 10.0 110.866 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.37 -5.49 16.1 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 123.955 1.503 . . . . 10.0 110.19 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.547 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -114.18 27.68 9.31 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.342 -0.849 . . . . 10.0 109.881 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.649 HD12 ' OH ' ' B' ' 18' ' ' TYR . 14.0 tp -29.65 -68.42 0.07 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.465 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.504 ' C ' ' O ' ' B' ' 30' ' ' LEU . 21.2 t -38.83 -61.12 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.215 -0.928 . . . . 10.0 109.301 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.507 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 0.6 OUTLIER -59.84 -50.51 73.5 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.286 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -50.65 -52.11 42.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.318 -0.864 . . . . 10.0 109.381 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.618 ' N ' ' OH ' ' B' ' 18' ' ' TYR . . . -52.91 -28.37 23.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.409 -0.807 . . . . 10.0 109.885 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 39' ' ' THR . 4.0 t -85.62 -54.48 8.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.474 -0.766 . . . . 10.0 109.71 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.693 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 4.5 mm-40 -49.88 -35.17 22.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 10.0 109.967 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -77.02 -52.07 9.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.104 -0.997 . . . . 10.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.449 ' CD2' ' HB3' ' A' ' 34' ' ' ALA . 12.4 m-85 -72.92 -55.75 6.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.227 -0.921 . . . . 10.0 110.318 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.544 ' CA ' HG22 ' A' ' 35' ' ' VAL . 15.1 m -47.1 -50.11 20.59 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.107 -0.996 . . . . 10.0 110.112 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.693 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.1 OUTLIER -65.53 -35.03 79.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.928 -1.108 . . . . 10.0 109.531 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.466 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 0.1 OUTLIER -43.41 -56.5 3.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 10.0 110.331 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.512 ' NE ' ' HB2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -50.43 -33.14 19.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.227 -0.921 . . . . 10.0 110.357 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -109.95 1.7 19.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.199 -0.938 . . . . 10.0 110.412 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' B' ' 40' ' ' ARG . . . -46.31 -80.9 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.172 -0.955 . . . . 10.0 110.243 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.646 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER 8.05 -121.34 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.31 -179.373 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.421 ' H ' ' HB3' ' B' ' 45' ' ' ARG . 14.4 tpt180 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 120.92 -1.112 . . . . 10.0 110.151 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 62.9 m170 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.277 0.56 . . . . 10.0 110.332 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.0 mmt -45.31 -40.53 7.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 10.0 110.183 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.32 -151.1 46.36 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.632 -1.387 . . . . 10.0 109.632 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.55 168.54 18.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.342 -1.093 . . . . 10.0 110.257 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 mp -121.21 132.26 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.271 -0.893 . . . . 10.0 110.13 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -151.15 92.92 1.85 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.207 -0.933 . . . . 10.0 110.203 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.0 114.49 12.63 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.225 -0.922 . . . . 10.0 110.128 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -71.29 127.07 12.94 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 O-C-N 123.975 1.513 . . . . 10.0 110.721 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.79 -168.71 0.48 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 123.893 1.47 . . . . 10.0 110.4 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.85 -45.06 3.35 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.496 -1.442 . . . . 10.0 109.496 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 12' ' ' THR . 17.2 tp -60.39 -24.32 65.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -1.168 . . . . 10.0 110.134 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.528 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 20.2 m -39.82 -72.03 0.07 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.91 . . . . 10.0 110.101 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.8 mm-40 -34.25 -48.32 0.33 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.536 -0.727 . . . . 10.0 110.595 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 1.2 mp -60.62 -77.98 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.242 -0.911 . . . . 10.0 110.098 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.6 mp -44.01 -51.16 7.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 10.0 109.934 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 12' ' ' THR . 1.4 tt0 -48.03 -48.29 33.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.18 -0.95 . . . . 10.0 109.565 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -48.51 -54.6 12.79 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.925 -1.67 . . . . 10.0 108.925 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.54 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -40.58 -57.0 1.96 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.438 -1.036 . . . . 10.0 109.864 179.553 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.536 ' O ' ' HB2' ' A' ' 23' A LEU . 0.7 OUTLIER -48.48 -50.06 33.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.334 -0.854 . . . . 10.0 109.665 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.458 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 16.5 t -59.5 -27.84 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.275 -0.891 . . . . 10.0 110.414 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.506 ' HG3' ' CA ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -88.52 -50.79 6.07 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.25 -0.906 . . . . 10.0 109.77 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 18' ' ' TYR . 3.3 t -57.8 -36.29 54.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.503 -0.748 . . . . 10.0 109.905 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.4 OUTLIER -72.61 -42.03 64.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 10.0 109.66 179.407 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -77.93 -44.81 25.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 10.0 110.082 179.726 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 10.0 mm100 -81.53 -31.69 32.66 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.147 -0.971 . . . . 10.0 110.194 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 42.21 56.51 10.26 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.368 -0.832 . . . . 10.0 110.348 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.433 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -70.29 159.66 52.25 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.023 1.538 . . . . 10.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.93 -33.67 15.49 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 O-C-N 124.006 1.529 . . . . 10.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.94 132.06 31.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.937 . . . . 10.0 110.092 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.544 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.4 OUTLIER -77.84 -47.04 19.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.204 -0.935 . . . . 10.0 110.1 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.544 ' C ' ' O ' ' A' ' 30' ' ' LEU . 11.2 t -30.6 -68.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.637 -0.665 . . . . 10.0 110.386 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.521 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -52.44 -50.46 62.54 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.399 -0.813 . . . . 10.0 109.666 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.521 ' N ' ' CG ' ' A' ' 32' ' ' ASP . 0.9 OUTLIER -51.92 -66.78 0.33 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.172 -0.955 . . . . 10.0 108.82 178.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.602 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -39.69 -30.56 0.08 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.681 -0.637 . . . . 10.0 109.929 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.612 HG23 ' OG1' ' B' ' 39' ' ' THR . 6.9 t -84.15 -60.03 2.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 O-C-N 121.19 -0.944 . . . . 10.0 110.119 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -50.04 -35.74 26.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.873 . . . . 10.0 110.07 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.538 ' CE1' HD11 ' A' ' 41' ' ' LEU . 14.6 t80 -77.37 -63.85 1.28 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.862 . . . . 10.0 110.606 -179.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 10.7 m-85 -58.29 -45.73 87.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 10.0 110.397 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.581 ' CA ' HG23 ' B' ' 35' ' ' VAL . 15.9 m -52.99 -45.66 67.93 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.001 -1.062 . . . . 10.0 109.933 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -68.32 -29.62 68.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 10.0 110.053 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.538 HD11 ' CE1' ' A' ' 37' ' ' TYR . 1.1 mt -77.51 -27.53 51.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.369 -0.832 . . . . 10.0 110.111 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.31 -45.31 73.33 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.31 -0.869 . . . . 10.0 109.793 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 2.8 mp0 -67.85 -11.41 58.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 10.0 110.135 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.709 ' O ' ' O ' ' A' ' 45' ' ' ARG . . . -73.87 -71.83 0.3 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.258 -0.901 . . . . 10.0 110.75 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.709 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -23.11 -114.55 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.156 0.503 . . . . 10.0 111.949 -178.558 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.564 ' CD ' ' O ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 O-C-N 120.943 -1.098 . . . . 10.0 110.253 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 62.7 m170 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.168 0.509 . . . . 10.0 110.171 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 8.4 mmt -45.11 -40.71 7.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.884 . . . . 10.0 110.175 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.43 -150.39 45.13 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.522 -1.431 . . . . 10.0 109.522 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.09 168.24 18.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.273 -1.134 . . . . 10.0 110.207 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 mp -121.07 131.73 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.306 -0.871 . . . . 10.0 110.094 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -150.4 92.56 1.88 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 10.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.5 114.5 12.15 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.242 -0.911 . . . . 10.0 110.158 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -71.22 127.01 12.91 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 123.997 1.525 . . . . 10.0 110.661 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.78 -168.86 0.49 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 O-C-N 123.976 1.514 . . . . 10.0 110.412 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.95 -44.94 3.34 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.529 -1.428 . . . . 10.0 109.529 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' B' ' 12' ' ' THR . 18.3 tp -60.55 -24.19 65.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.19 -1.182 . . . . 10.0 110.174 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.534 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 20.1 m -39.83 -72.24 0.07 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 10.0 110.148 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.503 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.8 mm-40 -34.18 -48.63 0.33 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.657 -0.652 . . . . 10.0 110.502 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 1.3 mp -60.21 -78.42 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.272 -0.893 . . . . 10.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' B' ' 14' ' ' LEU . 2.6 mp -43.58 -50.88 7.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.949 . . . . 10.0 109.929 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.534 ' HB2' ' O ' ' B' ' 12' ' ' THR . 1.3 tt0 -48.1 -48.97 33.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.178 -0.951 . . . . 10.0 109.503 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -47.83 -54.28 11.92 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.922 -1.671 . . . . 10.0 108.922 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.525 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 0.3 OUTLIER -41.24 -56.06 2.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.399 -1.059 . . . . 10.0 109.794 179.503 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.555 HG23 ' N ' ' B' ' 20' ' ' VAL . 0.8 OUTLIER -49.49 -46.3 48.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.388 -0.82 . . . . 10.0 109.74 179.538 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.555 ' N ' HG23 ' B' ' 19' ' ' THR . 16.4 t -64.09 -26.7 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.288 -0.883 . . . . 10.0 110.336 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.506 ' HG3' ' CA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -89.37 -50.41 6.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.139 -0.975 . . . . 10.0 109.644 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.49 HG23 ' O ' ' B' ' 18' ' ' TYR . 3.4 t -57.68 -36.05 53.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.547 -0.72 . . . . 10.0 109.892 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.54 ' HB2' ' O ' ' B' ' 19' ' ' THR . 0.4 OUTLIER -73.09 -42.68 62.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.201 -0.937 . . . . 10.0 109.707 179.476 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -77.09 -44.4 30.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.398 -0.814 . . . . 10.0 110.025 179.758 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 21' ' ' GLU . 9.9 mm100 -82.13 -31.32 30.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 10.0 110.256 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 42.0 56.54 9.95 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.307 -0.87 . . . . 10.0 110.38 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.433 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 43.6 Cg_endo -70.11 159.05 54.51 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 123.991 1.521 . . . . 10.0 110.588 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.79 -33.04 17.28 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 O-C-N 124.052 1.554 . . . . 10.0 110.591 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -138.54 131.45 29.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 10.0 110.139 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.545 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.4 OUTLIER -77.38 -46.77 21.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.249 -0.907 . . . . 10.0 110.192 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.545 ' C ' ' O ' ' B' ' 30' ' ' LEU . 11.5 t -30.87 -68.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.633 -0.667 . . . . 10.0 110.439 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.521 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -51.95 -50.82 60.44 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.427 -0.796 . . . . 10.0 109.593 179.769 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.521 ' N ' ' CG ' ' B' ' 32' ' ' ASP . 0.9 OUTLIER -51.48 -66.71 0.34 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.172 -0.955 . . . . 10.0 108.904 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.582 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -39.72 -30.98 0.09 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.65 -0.656 . . . . 10.0 109.926 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.581 HG23 ' CA ' ' A' ' 39' ' ' THR . 6.8 t -83.67 -59.44 2.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.177 -0.952 . . . . 10.0 109.971 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -35.99 36.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.3 -0.875 . . . . 10.0 110.204 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.53 ' CE1' HD11 ' B' ' 41' ' ' LEU . 14.2 t80 -77.09 -63.04 1.46 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 10.0 110.534 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.602 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 11.0 m-85 -59.1 -44.9 91.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.194 -0.941 . . . . 10.0 110.465 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.612 ' OG1' HG23 ' A' ' 35' ' ' VAL . 14.4 m -53.06 -45.6 68.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.951 -1.093 . . . . 10.0 109.881 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -29.84 68.54 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.349 -0.845 . . . . 10.0 110.176 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.53 HD11 ' CE1' ' B' ' 37' ' ' TYR . 1.1 mt -77.48 -27.75 52.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 10.0 110.17 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.481 ' CA ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -68.17 -45.48 73.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.338 -0.851 . . . . 10.0 109.756 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' B' ' 42' ' ' ARG . 2.9 mp0 -67.64 -11.41 58.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.28 -0.887 . . . . 10.0 110.182 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.705 ' O ' ' O ' ' B' ' 45' ' ' ARG . . . -74.12 -71.92 0.3 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.254 -0.904 . . . . 10.0 110.66 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.705 ' O ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -22.81 -114.43 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.207 0.527 . . . . 10.0 111.892 -178.522 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.569 ' CD ' ' O ' ' B' ' 45' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.715 0 O-C-N 120.945 -1.097 . . . . 10.0 110.103 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 51.6 m80 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.236 0.541 . . . . 10.0 110.234 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.418 ' O ' HG21 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -144.44 9.93 1.42 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.244 -0.91 . . . . 10.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.1 -11.77 46.73 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.411 -1.476 . . . . 10.0 109.411 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -118.41 37.17 4.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.28 -1.13 . . . . 10.0 110.231 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -137.67 32.93 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.217 -0.927 . . . . 10.0 110.034 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.534 ' CG ' ' O ' ' A' ' 5' ' ' ILE . 44.1 mt-30 -158.71 55.86 0.43 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.255 -0.903 . . . . 10.0 110.638 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.71 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -121.28 37.06 0.28 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.159 -0.963 . . . . 10.0 110.7 179.44 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.71 ' CD ' ' N ' ' A' ' 7' ' ' ILE . 50.3 Cg_endo -73.37 139.64 29.17 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 O-C-N 123.801 1.421 . . . . 10.0 110.597 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.516 ' O ' ' N ' ' A' ' 11' ' ' LEU . 51.4 Cg_endo -80.74 118.42 3.47 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 123.969 1.51 . . . . 10.0 111.536 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.453 ' O ' ' CD1' ' A' ' 14' ' ' LEU . . . 46.3 13.98 0.09 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.163 -1.175 . . . . 10.0 110.163 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.664 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -85.68 -40.55 16.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.992 -1.299 . . . . 10.0 110.078 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' LEU . 6.8 m -44.42 -38.34 3.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 10.0 109.95 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -51.92 61.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.414 -0.804 . . . . 10.0 109.8 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 10' ' ' GLY . 2.1 mp -62.17 -41.49 98.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.304 -0.872 . . . . 10.0 109.835 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.483 HD12 ' CD2' ' A' ' 11' ' ' LEU . 1.2 mp -63.15 -53.61 50.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.302 -0.873 . . . . 10.0 110.009 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -39.75 -63.66 0.56 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 10.0 109.707 179.768 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -48.14 -54.54 12.09 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.604 -1.798 . . . . 10.0 108.604 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.617 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -38.2 -62.66 0.55 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.509 -0.995 . . . . 10.0 110.488 179.635 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.479 ' O ' HD11 ' A' ' 23' A LEU . 0.7 OUTLIER -50.07 -33.98 20.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.39 -0.819 . . . . 10.0 110.209 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 85.8 t -77.85 -17.19 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.237 -0.915 . . . . 10.0 110.558 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.576 ' HG3' ' CA ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -94.17 -39.05 10.76 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.137 -0.977 . . . . 10.0 110.058 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 1.9 t -68.18 -31.53 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.401 -0.812 . . . . 10.0 110.126 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.574 ' CD2' HG13 ' B' ' 7' ' ' ILE . 0.3 OUTLIER -90.41 -32.86 16.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 10.0 110.338 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.529 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -75.69 -68.53 0.56 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.046 -1.034 . . . . 10.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -76.04 -19.74 58.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.403 -0.811 . . . . 10.0 110.213 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.523 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 43.14 74.31 0.8 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.183 -0.948 . . . . 10.0 109.953 -179.742 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.26 162.5 41.56 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.101 1.58 . . . . 10.0 110.681 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.51 -55.42 0.19 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 124.017 1.535 . . . . 10.0 110.344 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.472 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 5.5 m-20 -116.38 123.57 47.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.328 -0.858 . . . . 10.0 109.999 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.614 HD13 ' CE2' ' A' ' 18' ' ' TYR . 1.3 tm? -72.19 -59.27 2.82 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.259 -0.901 . . . . 10.0 110.258 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.533 ' C ' ' O ' ' A' ' 30' ' ' LEU . 21.8 t -34.48 -66.75 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.324 -0.86 . . . . 10.0 110.043 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -51.07 -42.83 60.84 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.6 -0.688 . . . . 10.0 109.872 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.489 ' HB3' ' O ' ' A' ' 30' ' ' LEU . 34.3 t80 -58.63 -51.47 69.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.168 -0.958 . . . . 10.0 109.484 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.617 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -49.79 -36.8 27.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.339 -0.851 . . . . 10.0 109.597 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.662 HG21 ' OG1' ' B' ' 39' ' ' THR . 4.9 t -82.21 -57.21 4.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.565 -0.71 . . . . 10.0 110.125 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.475 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 3.4 mm-40 -50.2 -42.25 51.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 10.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.407 ' CE2' ' OE2' ' A' ' 21' ' ' GLU . 17.6 t80 -72.01 -65.31 0.79 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 10.0 110.433 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 16.2 m-85 -56.61 -37.93 71.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.146 -0.971 . . . . 10.0 110.471 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.679 ' OG1' HG21 ' B' ' 35' ' ' VAL . 24.1 m -55.29 -41.32 72.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.097 -1.002 . . . . 10.0 110.047 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.475 ' HD2' ' O ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -71.91 -28.87 63.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.336 -0.852 . . . . 10.0 110.435 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -64.66 -40.75 95.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.214 -0.929 . . . . 10.0 110.323 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.461 ' HG2' HG12 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -57.82 -14.12 5.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 10.0 110.232 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -109.51 11.99 24.66 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.937 . . . . 10.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.577 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -127.04 -72.31 0.65 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.177 -0.952 . . . . 10.0 110.597 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -26.16 120.68 0.08 Allowed 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.298 0.57 . . . . 10.0 111.113 -178.633 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.994 -1.003 . . . . 10.0 110.17 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 52.3 m80 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.29 0.566 . . . . 10.0 110.222 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' MET . . . . . 0.408 ' O ' HG21 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -144.5 10.2 1.42 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.206 -0.934 . . . . 10.0 110.261 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.28 -11.56 47.01 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.514 -1.434 . . . . 10.0 109.514 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -118.48 36.92 4.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.237 -1.155 . . . . 10.0 110.238 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.615 HG23 ' O ' ' B' ' 5' ' ' ILE . 0.0 OUTLIER -137.33 32.83 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.251 -0.906 . . . . 10.0 110.03 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.532 ' CG ' ' O ' ' B' ' 5' ' ' ILE . 44.8 mt-30 -158.45 55.86 0.45 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.247 -0.908 . . . . 10.0 110.615 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.708 ' N ' ' CD ' ' B' ' 8' ' ' PRO . 0.0 OUTLIER -121.3 37.23 0.29 Allowed Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.112 -0.993 . . . . 10.0 110.726 179.417 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' B' ' 7' ' ' ILE . 49.7 Cg_endo -73.51 139.87 29.12 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 O-C-N 123.799 1.42 . . . . 10.0 110.565 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' B' ' 11' ' ' LEU . 52.0 Cg_endo -80.79 118.44 3.45 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 O-C-N 123.849 1.447 . . . . 10.0 111.52 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.457 ' O ' ' CD1' ' B' ' 14' ' ' LEU . . . 46.28 13.85 0.08 OUTLIER Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.3 -1.12 . . . . 10.0 110.3 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.663 ' CB ' ' HB2' ' B' ' 8' ' ' PRO . 0.2 OUTLIER -85.62 -40.06 16.63 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.928 -1.337 . . . . 10.0 110.161 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.409 ' C ' ' O ' ' B' ' 11' ' ' LEU . 7.0 m -44.77 -37.96 4.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 10.0 109.969 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -52.11 59.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.408 -0.807 . . . . 10.0 109.835 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.457 ' CD1' ' O ' ' B' ' 10' ' ' GLY . 2.2 mp -61.91 -41.87 98.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.804 . . . . 10.0 109.848 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.489 HD12 ' CD2' ' B' ' 11' ' ' LEU . 1.2 mp -62.91 -53.2 57.86 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.33 -0.856 . . . . 10.0 110.05 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' B' ' 15' ' ' LEU . 0.6 OUTLIER -39.94 -63.66 0.58 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 10.0 109.675 179.663 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.52 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -48.12 -54.59 11.9 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 108.616 -1.794 . . . . 10.0 108.616 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.619 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 1.0 OUTLIER -37.97 -62.84 0.52 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.509 -0.995 . . . . 10.0 110.457 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.481 ' O ' HD11 ' B' ' 23' B LEU . 0.7 OUTLIER -50.02 -34.04 19.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.413 -0.804 . . . . 10.0 110.221 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.528 ' O ' ' HB3' ' B' ' 24' ' ' ARG . 81.1 t -77.99 -16.99 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.27 -0.894 . . . . 10.0 110.523 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.573 ' HG3' ' CA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -94.27 -38.89 10.8 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.14 -0.975 . . . . 10.0 110.032 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' B' ' 26' ' ' GLN . 1.9 t -68.35 -31.35 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 10.0 110.08 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.559 ' CD2' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.35 -33.64 15.99 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.136 -0.977 . . . . 10.0 110.414 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.528 ' HB3' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -75.35 -68.35 0.57 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.137 -0.977 . . . . 10.0 110.416 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -75.74 -20.14 58.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.366 -0.834 . . . . 10.0 110.22 -179.686 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 43.13 74.23 0.81 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.242 -0.911 . . . . 10.0 109.853 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.35 162.58 41.28 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.13 1.595 . . . . 10.0 110.687 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -69.42 -55.31 0.19 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 O-C-N 124.08 1.569 . . . . 10.0 110.34 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.47 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 5.4 m-20 -116.53 123.51 47.6 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 10.0 109.968 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.615 HD13 ' CE2' ' B' ' 18' ' ' TYR . 1.3 tm? -72.3 -59.07 2.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 10.0 110.323 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.534 ' C ' ' O ' ' B' ' 30' ' ' LEU . 21.7 t -34.32 -66.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.294 -0.879 . . . . 10.0 110.006 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.47 ' OD1' ' O ' ' B' ' 29' ' ' ASP . 0.0 OUTLIER -51.05 -42.95 60.85 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.642 -0.661 . . . . 10.0 109.933 179.726 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.484 ' HB3' ' O ' ' B' ' 30' ' ' LEU . 34.6 t80 -58.58 -51.66 68.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.035 -1.041 . . . . 10.0 109.374 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.619 ' CB ' ' OH ' ' B' ' 18' ' ' TYR . . . -49.62 -37.02 26.27 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.247 -0.908 . . . . 10.0 109.496 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.679 HG21 ' OG1' ' A' ' 39' ' ' THR . 5.1 t -82.16 -57.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.507 -0.746 . . . . 10.0 110.156 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.474 ' O ' ' HD2' ' B' ' 40' ' ' ARG . 3.2 mm-40 -50.32 -42.28 52.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 10.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.411 ' CE2' ' OE2' ' B' ' 21' ' ' GLU . 17.5 t80 -71.93 -65.08 0.81 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.242 -0.911 . . . . 10.0 110.361 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.506 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 16.0 m-85 -56.85 -38.54 72.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.183 -0.948 . . . . 10.0 110.461 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.662 ' OG1' HG21 ' A' ' 35' ' ' VAL . 27.4 m -54.63 -41.32 69.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.066 -1.021 . . . . 10.0 110.048 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' B' ' 36' ' ' GLU . 0.8 OUTLIER -71.69 -29.81 64.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 10.0 110.528 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' B' ' 45' ' ' ARG . 0.7 OUTLIER -63.92 -40.35 96.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.162 -0.961 . . . . 10.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.458 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -58.11 -13.92 5.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.16 -0.962 . . . . 10.0 110.281 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -109.81 11.81 24.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.226 -0.921 . . . . 10.0 110.31 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.577 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -126.56 -72.07 0.66 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.308 -0.87 . . . . 10.0 110.651 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.2 OUTLIER -26.25 121.02 0.08 Allowed 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 121.286 0.565 . . . . 10.0 111.001 -178.668 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 117.925 -1.036 . . . . 10.0 110.19 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.187 0.518 . . . . 10.0 110.183 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.463 ' O ' ' O ' ' A' ' 1' ' ' HIS . 2.7 mtt 46.78 97.93 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.327 -0.858 . . . . 10.0 110.257 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.64 -4.69 4.39 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.53 -1.428 . . . . 10.0 109.53 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.57 ' O ' ' CG ' ' A' ' 4' ' ' HIS . 11.4 t60 -150.3 28.62 0.73 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -1.17 . . . . 10.0 110.063 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.419 HD13 ' C ' ' A' ' 4' ' ' HIS . 10.7 mm -110.09 178.45 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.91 . . . . 10.0 110.193 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.578 ' HB3' ' CD1' ' B' ' 23' B LEU . 0.0 OUTLIER -109.88 -155.82 0.57 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.913 . . . . 10.0 110.26 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.1 mm -106.63 76.1 0.41 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.169 -0.957 . . . . 10.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.838 ' HB2' ' HB3' ' A' ' 11' ' ' LEU . 44.2 Cg_endo -70.48 116.31 4.58 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 O-C-N 124.138 1.599 . . . . 10.0 110.561 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.555 ' O ' ' N ' ' A' ' 11' ' ' LEU . 51.3 Cg_endo -77.0 119.3 5.03 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 O-C-N 123.947 1.498 . . . . 10.0 111.519 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 42.93 18.71 0.05 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.778 -1.329 . . . . 10.0 109.778 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.838 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . 2.1 tp -72.11 -48.65 42.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.123 -1.222 . . . . 10.0 110.101 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.541 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 1.2 m -55.47 -26.7 43.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.317 -0.864 . . . . 10.0 110.056 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -73.02 -65.42 0.8 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.91 . . . . 10.0 110.355 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 14' ' ' LEU . 1.7 mp -53.88 -38.72 65.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.267 -0.896 . . . . 10.0 110.32 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 1.2 mp -66.43 -52.84 42.25 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.178 -0.951 . . . . 10.0 110.12 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -43.48 -48.8 7.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.136 -0.977 . . . . 10.0 109.65 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -52.97 -59.59 9.18 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.027 -1.629 . . . . 10.0 109.027 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.577 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -42.13 -50.1 4.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.356 -1.084 . . . . 10.0 109.943 179.715 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.828 ' O ' HD21 ' A' ' 23' A LEU . 1.0 OUTLIER -58.73 -28.36 65.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.323 -0.86 . . . . 10.0 109.721 179.701 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.583 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 58.1 t -86.45 -19.33 8.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 120.961 -1.087 . . . . 10.0 110.19 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -95.05 -47.37 6.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.046 -1.034 . . . . 10.0 109.115 179.397 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.406 ' HB ' HD22 ' A' ' 23' A LEU . 48.3 t -61.28 -39.58 83.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.72 -0.613 . . . . 10.0 109.934 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.828 HD21 ' O ' ' A' ' 19' ' ' THR . 3.0 mm? -86.26 -29.17 23.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.907 . . . . 10.0 110.253 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.583 ' CB ' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -102.49 29.13 5.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.146 -0.971 . . . . 10.0 110.245 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.656 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -178.53 27.72 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 10.0 110.352 179.806 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.656 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -12.85 87.32 0.03 OUTLIER Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.547 -0.721 . . . . 10.0 111.097 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.5 Cg_endo -69.49 166.58 26.79 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.072 1.564 . . . . 10.0 110.752 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.459 ' O ' ' OD1' ' A' ' 29' ' ' ASP . 43.4 Cg_endo -69.59 -32.49 19.15 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 O-C-N 124.04 1.547 . . . . 10.0 110.559 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.51 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 1.1 m-20 -143.61 130.92 20.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.214 -0.929 . . . . 10.0 110.233 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -77.17 -70.05 0.49 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.232 -0.918 . . . . 10.0 110.118 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.534 HG13 ' HG2' ' B' ' 42' ' ' ARG . 18.9 t -37.46 -64.24 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.273 -0.892 . . . . 10.0 109.427 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.511 ' N ' ' HD2' ' B' ' 42' ' ' ARG . 5.0 t0 -52.08 -44.44 64.34 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.67 -0.643 . . . . 10.0 109.454 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -56.21 -59.54 4.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -0.929 . . . . 10.0 108.955 178.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.606 ' O ' ' CD2' ' A' ' 38' ' ' PHE . . . -46.68 -30.57 2.42 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.823 -0.751 . . . . 10.0 109.164 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.627 HG22 ' OG1' ' B' ' 39' ' ' THR . 2.9 t -81.68 -62.09 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.413 -0.805 . . . . 10.0 109.952 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -46.73 -39.87 12.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.44 -0.788 . . . . 10.0 110.406 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.451 ' N ' ' HG2' ' A' ' 36' ' ' GLU . 74.7 t80 -76.82 -62.01 1.78 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.247 -0.908 . . . . 10.0 110.611 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.606 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 17.7 m-85 -57.77 -44.43 86.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.16 -0.963 . . . . 10.0 110.38 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.619 ' OG1' HG22 ' B' ' 35' ' ' VAL . 2.4 m -57.29 -48.79 78.02 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.07 -1.019 . . . . 10.0 109.646 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -66.81 -38.17 85.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.363 -0.836 . . . . 10.0 110.15 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -51.78 -42.36 62.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.221 -0.925 . . . . 10.0 109.9 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.539 ' NE ' HG13 ' B' ' 31' ' ' VAL . 1.8 mmp_? -54.23 -19.96 6.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 10.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.494 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -112.33 -4.18 14.37 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.252 -0.905 . . . . 10.0 109.985 -179.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -38.38 -73.0 0.05 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.196 -0.94 . . . . 10.0 110.569 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' C ' ' O ' ' A' ' 44' ' ' ALA . 9.0 tpt180 -33.7 128.59 0.34 Allowed 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.285 0.564 . . . . 10.0 110.482 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.011 -0.995 . . . . 10.0 110.103 -179.755 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.468 ' O ' ' O ' ' B' ' 2' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.285 0.564 . . . . 10.0 110.219 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' MET . . . . . 0.468 ' O ' ' O ' ' B' ' 1' ' ' HIS . 2.7 mtt 46.68 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.215 -0.928 . . . . 10.0 110.272 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.87 -4.52 4.28 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.495 -1.442 . . . . 10.0 109.495 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.575 ' O ' ' CG ' ' B' ' 4' ' ' HIS . 11.2 t60 -150.71 29.04 0.69 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.197 -1.178 . . . . 10.0 110.166 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.423 HD13 ' C ' ' B' ' 4' ' ' HIS . 10.7 mm -110.5 178.66 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.334 -0.854 . . . . 10.0 110.121 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.561 ' HB3' ' CD1' ' A' ' 23' A LEU . 0.0 OUTLIER -109.99 -155.85 0.57 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.276 -0.89 . . . . 10.0 110.22 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.43 ' C ' HD12 ' A' ' 23' A LEU . 42.6 mm -106.66 76.17 0.42 Allowed Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.171 -0.955 . . . . 10.0 110.334 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.834 ' HB2' ' HB3' ' B' ' 11' ' ' LEU . 44.1 Cg_endo -70.41 116.15 4.5 Favored 'Trans proline' 0 C--N 1.303 -1.829 0 O-C-N 124.127 1.593 . . . . 10.0 110.599 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.551 ' O ' ' N ' ' B' ' 11' ' ' LEU . 51.2 Cg_endo -76.98 119.13 4.98 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 123.951 1.5 . . . . 10.0 111.475 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 42.99 18.57 0.05 OUTLIER Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.86 -1.296 . . . . 10.0 109.86 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.834 ' HB3' ' HB2' ' B' ' 8' ' ' PRO . 2.1 tp -71.88 -49.02 41.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.087 -1.243 . . . . 10.0 110.027 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.544 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 1.3 m -55.2 -26.48 39.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.302 -0.874 . . . . 10.0 110.17 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -73.39 -65.25 0.84 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 10.0 110.276 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.402 ' N ' HD13 ' B' ' 14' ' ' LEU . 1.8 mp -54.17 -38.36 65.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 10.0 110.41 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 1.2 mp -66.64 -52.86 40.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.963 . . . . 10.0 110.157 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -43.59 -48.91 7.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.095 -1.003 . . . . 10.0 109.681 179.79 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -52.65 -59.71 8.84 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.966 -1.654 . . . . 10.0 108.966 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.57 ' CE2' HD12 ' B' ' 30' ' ' LEU . 0.3 OUTLIER -41.92 -50.58 4.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.376 -1.073 . . . . 10.0 109.989 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.834 ' O ' HD21 ' B' ' 23' B LEU . 1.0 OUTLIER -58.38 -28.45 65.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.286 -0.884 . . . . 10.0 109.73 179.646 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.594 ' O ' ' CB ' ' B' ' 24' ' ' ARG . 60.6 t -86.28 -19.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 120.903 -1.123 . . . . 10.0 110.174 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.557 ' O ' ' CG ' ' B' ' 25' ' ' GLN . 0.2 OUTLIER -95.01 -47.49 6.38 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.081 -1.012 . . . . 10.0 109.098 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.414 ' HB ' HD22 ' B' ' 23' B LEU . 48.9 t -61.05 -39.84 83.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.68 -0.638 . . . . 10.0 110.028 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.834 HD21 ' O ' ' B' ' 19' ' ' THR . 2.8 mm? -86.5 -28.61 23.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 10.0 110.292 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.594 ' CB ' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -102.77 28.93 5.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.238 -0.914 . . . . 10.0 110.26 179.796 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.657 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -178.28 27.85 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.201 -0.937 . . . . 10.0 110.244 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.657 ' C ' ' O ' ' B' ' 25' ' ' GLN . 1.0 OUTLIER -12.96 87.43 0.03 OUTLIER Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.566 -0.708 . . . . 10.0 111.086 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.533 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 43.1 Cg_endo -69.6 166.53 27.1 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 O-C-N 124.101 1.579 . . . . 10.0 110.73 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.457 ' O ' ' OD1' ' B' ' 29' ' ' ASP . 43.1 Cg_endo -69.57 -32.96 18.29 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.034 1.544 . . . . 10.0 110.633 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.51 ' O ' ' HB2' ' B' ' 33' ' ' PHE . 1.1 m-20 -143.21 131.12 21.59 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.19 -0.944 . . . . 10.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.57 HD12 ' CE2' ' B' ' 18' ' ' TYR . 0.1 OUTLIER -77.12 -70.24 0.48 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.217 -0.927 . . . . 10.0 110.154 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.539 HG13 ' NE ' ' A' ' 42' ' ' ARG . 21.0 t -37.35 -64.23 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.135 -0.978 . . . . 10.0 109.386 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 5.0 t0 -51.98 -44.64 64.12 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.753 -0.592 . . . . 10.0 109.429 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' B' ' 33' ' ' PHE . 0.6 OUTLIER -56.06 -59.82 4.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.273 -0.892 . . . . 10.0 108.913 179.025 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.599 ' O ' ' CD2' ' B' ' 38' ' ' PHE . . . -46.75 -30.36 2.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.393 -0.817 . . . . 10.0 109.245 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.619 HG22 ' OG1' ' A' ' 39' ' ' THR . 2.9 t -81.65 -62.1 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.397 -0.814 . . . . 10.0 109.902 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -46.92 -40.13 13.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.358 -0.839 . . . . 10.0 110.386 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.462 ' N ' ' HG2' ' B' ' 36' ' ' GLU . 75.0 t80 -76.43 -62.41 1.63 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 10.0 110.555 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 17.8 m-85 -57.42 -43.99 84.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.121 -0.987 . . . . 10.0 110.374 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.627 ' OG1' HG22 ' A' ' 35' ' ' VAL . 2.4 m -57.56 -49.52 76.11 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.864 -1.148 . . . . 10.0 109.608 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -66.05 -38.85 89.38 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.395 -0.816 . . . . 10.0 110.258 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.521 HD23 ' O ' ' B' ' 41' ' ' LEU . 0.0 OUTLIER -51.23 -41.94 60.66 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.2 -0.937 . . . . 10.0 109.914 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.534 ' HG2' HG13 ' A' ' 31' ' ' VAL . 1.7 mmp_? -54.69 -20.28 7.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.138 -0.976 . . . . 10.0 110.282 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.497 ' OE2' ' O ' ' B' ' 43' ' ' GLU . 0.6 OUTLIER -111.89 -4.02 14.7 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.345 -0.847 . . . . 10.0 109.948 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.523 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -38.42 -73.13 0.05 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.239 -0.913 . . . . 10.0 110.552 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.523 ' C ' ' O ' ' B' ' 44' ' ' ALA . 9.0 tpt180 -33.99 128.65 0.37 Allowed 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 120.308 -0.557 . . . . 10.0 110.454 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.007 -0.997 . . . . 10.0 110.183 -179.717 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.23 0.538 . . . . 10.0 110.207 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.8 ptm -99.48 36.7 1.71 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 10.0 110.202 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.22 -161.92 29.3 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.47 -1.452 . . . . 10.0 109.47 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -130.09 -168.86 2.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -1.128 . . . . 10.0 110.335 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.5 mm -121.92 95.27 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.213 -0.929 . . . . 10.0 110.07 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -143.38 153.67 42.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.229 -0.919 . . . . 10.0 110.388 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 mm -108.34 81.43 1.34 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.177 -0.952 . . . . 10.0 110.075 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -70.41 131.49 20.42 Favored 'Trans proline' 0 C--N 1.303 -1.822 0 O-C-N 123.995 1.524 . . . . 10.0 110.638 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.86 166.7 29.27 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 O-C-N 124.087 1.572 . . . . 10.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.21 -23.74 5.75 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.427 -1.469 . . . . 10.0 109.427 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.508 HD22 ' CG2' ' B' ' 19' ' ' THR . 0.2 OUTLIER -81.53 -60.37 2.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.399 -1.059 . . . . 10.0 110.266 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' LEU . 57.9 m -39.78 -80.56 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.359 -0.838 . . . . 10.0 110.452 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.4 mp0 -39.38 -48.96 1.98 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.451 -0.781 . . . . 10.0 110.422 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.08 -40.89 86.63 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.264 -0.898 . . . . 10.0 110.281 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 16' ' ' GLN . 19.9 mt -65.67 -65.94 0.61 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.148 -0.97 . . . . 10.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.534 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 1.2 mt-30 -39.76 -45.28 1.71 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.3 -0.875 . . . . 10.0 110.12 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.494 ' O ' ' HG2' ' A' ' 21' ' ' GLU . . . -53.91 -47.72 64.89 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.437 -1.465 . . . . 10.0 109.437 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.604 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -71.41 -57.33 4.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.13 -1.217 . . . . 10.0 109.61 179.772 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.549 ' CG2' HD22 ' B' ' 11' ' ' LEU . 1.8 m -51.08 -26.98 7.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 10.0 109.436 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.616 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 10.2 t -73.4 -31.15 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.414 -0.804 . . . . 10.0 110.005 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.604 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.2 mt-10 -74.6 -32.97 62.52 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.232 -0.918 . . . . 10.0 109.695 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.529 HG23 ' CE1' ' A' ' 18' ' ' TYR . 1.5 t -70.97 -42.07 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.546 -0.721 . . . . 10.0 109.965 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 23' A LEU . 10.8 mp -80.7 -8.12 59.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 10.0 109.784 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.616 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 2.1 tpt180 -100.38 -35.0 9.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -0.81 . . . . 10.0 109.907 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.2 pt20 -114.09 -15.87 12.2 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.257 -0.902 . . . . 10.0 110.392 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 42.59 78.82 0.36 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.166 -0.959 . . . . 10.0 110.061 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -69.27 170.98 14.75 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 124.032 1.543 . . . . 10.0 110.685 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.32 -22.85 33.49 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 O-C-N 124.075 1.566 . . . . 10.0 110.469 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -150.28 124.68 9.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.368 -0.833 . . . . 10.0 110.009 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -82.34 -65.55 1.0 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 10.0 110.249 -179.778 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.547 ' C ' ' O ' ' A' ' 30' ' ' LEU . 9.8 t -32.02 -60.47 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.33 -0.856 . . . . 10.0 110.147 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' OD1' ' NH2' ' B' ' 42' ' ' ARG . 4.3 t0 -63.03 -43.4 98.82 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.594 -0.692 . . . . 10.0 110.245 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' LEU . 73.4 t80 -63.48 -44.66 93.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.157 -0.964 . . . . 10.0 109.78 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.6 ' HB2' ' CZ ' ' A' ' 18' ' ' TYR . . . -61.76 -28.95 69.81 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.388 -0.82 . . . . 10.0 110.057 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.597 HG21 ' CA ' ' B' ' 39' ' ' THR . 2.4 t -83.47 -48.06 17.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 121.417 -0.802 . . . . 10.0 110.063 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -51.62 -33.93 35.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.327 -0.858 . . . . 10.0 109.842 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.593 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 4.0 t80 -72.69 -63.87 1.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 10.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.476 ' CE1' ' CE2' ' A' ' 37' ' ' TYR . 23.1 m-85 -58.85 -51.14 71.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.23 -0.919 . . . . 10.0 110.041 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.568 ' CA ' HG21 ' B' ' 35' ' ' VAL . 90.6 m -48.62 -43.9 36.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 10.0 109.868 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -76.45 -24.7 53.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.274 -0.891 . . . . 10.0 109.78 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -53.37 -40.72 65.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.333 -0.854 . . . . 10.0 109.922 179.74 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.493 ' HG2' HG13 ' B' ' 31' ' ' VAL . 8.5 mtm180 -50.49 -24.83 3.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.386 -0.821 . . . . 10.0 110.432 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.0 -18.99 17.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.287 -0.883 . . . . 10.0 109.89 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.617 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -64.2 -68.5 0.35 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.411 -0.806 . . . . 10.0 110.725 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.617 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -16.73 129.25 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.395 0.616 . . . . 10.0 111.333 -178.607 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.048 -0.977 . . . . 10.0 110.216 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.243 0.544 . . . . 10.0 110.299 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 9.3 ptm -99.44 37.58 1.56 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -0.914 . . . . 10.0 110.129 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.44 -162.24 30.49 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.536 -1.426 . . . . 10.0 109.536 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.492 ' CD2' ' C ' ' B' ' 4' ' ' HIS . 0.9 OUTLIER -129.96 -168.52 1.97 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.192 -1.181 . . . . 10.0 110.264 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 28.2 mm -122.06 96.18 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.222 -0.924 . . . . 10.0 110.029 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.415 ' O ' ' HD3' ' B' ' 8' ' ' PRO . 1.1 mm-40 -144.52 153.42 41.83 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.168 -0.958 . . . . 10.0 110.238 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.437 HG22 HD22 ' A' ' 23' A LEU . 30.6 mm -108.06 81.88 1.36 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.308 -0.87 . . . . 10.0 110.093 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' B' ' 6' ' ' GLN . 44.7 Cg_endo -70.55 131.6 20.43 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 O-C-N 124.089 1.573 . . . . 10.0 110.607 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.99 166.75 29.2 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 123.96 1.505 . . . . 10.0 110.486 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.06 -23.65 5.81 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.515 -1.434 . . . . 10.0 109.515 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.549 HD22 ' CG2' ' A' ' 19' ' ' THR . 0.2 OUTLIER -81.89 -60.16 2.33 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.291 -1.123 . . . . 10.0 110.28 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.45 ' O ' ' C ' ' B' ' 13' ' ' GLU . 53.2 m -39.86 -80.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.285 -0.885 . . . . 10.0 110.519 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.4 mp0 -39.38 -48.97 1.98 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.424 -0.797 . . . . 10.0 110.416 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.1 -40.9 86.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.272 -0.893 . . . . 10.0 110.289 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' B' ' 16' ' ' GLN . 19.6 mt -65.33 -66.55 0.53 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.246 -0.909 . . . . 10.0 110.306 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.534 ' O ' ' CG2' ' B' ' 20' ' ' VAL . 1.2 mt-30 -39.33 -45.89 1.5 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 10.0 110.251 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.497 ' O ' ' HG2' ' B' ' 21' ' ' GLU . . . -53.17 -47.83 60.25 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.472 -1.451 . . . . 10.0 109.472 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.607 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -71.49 -57.2 4.64 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.086 -1.244 . . . . 10.0 109.642 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.517 ' N ' ' CG ' ' B' ' 18' ' ' TYR . 1.9 m -51.42 -26.08 7.37 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.257 -0.902 . . . . 10.0 109.472 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.617 ' O ' ' HB3' ' B' ' 24' ' ' ARG . 10.8 t -74.17 -31.01 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.427 -0.796 . . . . 10.0 110.024 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.607 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.2 mt-10 -74.77 -32.75 62.13 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.198 -0.939 . . . . 10.0 109.753 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.512 HG23 ' CE1' ' B' ' 18' ' ' TYR . 1.5 t -71.04 -42.09 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.575 -0.703 . . . . 10.0 109.947 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.501 ' N ' ' CD1' ' B' ' 23' B LEU . 10.7 mp -80.55 -8.52 59.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.871 . . . . 10.0 109.88 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.617 ' HB3' ' O ' ' B' ' 20' ' ' VAL . 2.0 tpt180 -100.03 -34.87 9.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.353 -0.842 . . . . 10.0 109.951 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.0 pt20 -114.18 -15.97 12.14 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.207 -0.933 . . . . 10.0 110.482 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 42.63 78.96 0.35 Allowed Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 10.0 110.105 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.39 170.92 15.03 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 O-C-N 124.056 1.556 . . . . 10.0 110.597 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.23 -23.35 33.32 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.032 1.543 . . . . 10.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -149.69 124.78 10.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.319 -0.863 . . . . 10.0 109.915 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.543 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.3 OUTLIER -82.23 -65.91 0.95 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.208 -0.932 . . . . 10.0 110.208 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.543 ' C ' ' O ' ' B' ' 30' ' ' LEU . 7.1 t -31.95 -60.62 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.341 -0.849 . . . . 10.0 110.149 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -62.57 -43.04 99.8 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.549 -0.72 . . . . 10.0 110.187 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 30' ' ' LEU . 73.3 t80 -64.05 -43.69 94.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.165 -0.959 . . . . 10.0 109.847 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.599 ' HB2' ' CZ ' ' B' ' 18' ' ' TYR . . . -62.68 -28.98 70.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 10.0 109.982 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.568 HG21 ' CA ' ' A' ' 39' ' ' THR . 2.4 t -83.18 -47.48 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 121.299 -0.875 . . . . 10.0 110.066 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.36 -34.27 46.84 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.287 -0.883 . . . . 10.0 109.903 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.594 ' CD2' ' HB2' ' B' ' 18' ' ' TYR . 4.2 t80 -72.44 -63.52 1.14 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 10.0 110.132 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.474 ' CE1' ' CE2' ' B' ' 37' ' ' TYR . 23.1 m-85 -59.25 -50.62 73.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.198 -0.939 . . . . 10.0 110.118 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.597 ' CA ' HG21 ' A' ' 35' ' ' VAL . 88.6 m -48.81 -45.39 40.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.216 -0.928 . . . . 10.0 109.799 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -75.25 -23.94 57.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.325 -0.859 . . . . 10.0 109.728 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.491 ' HA ' ' HB2' ' B' ' 44' ' ' ALA . 0.4 OUTLIER -54.14 -41.89 68.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.307 -0.871 . . . . 10.0 109.945 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.484 ' NH2' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -47.68 -30.93 4.15 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.176 -0.953 . . . . 10.0 110.278 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -20.46 20.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.366 -0.833 . . . . 10.0 110.277 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -62.28 -69.35 0.26 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.339 -0.85 . . . . 10.0 110.744 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.613 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.1 OUTLIER -16.36 128.81 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.328 0.585 . . . . 10.0 111.346 -178.614 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 118.064 -0.97 . . . . 10.0 110.187 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 56.3 m80 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.272 0.558 . . . . 10.0 110.21 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.28 45.02 7.05 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 10.0 110.115 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 4' ' ' HIS . . . -173.37 -166.37 31.62 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.586 -1.406 . . . . 10.0 109.586 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.575 ' CG ' ' O ' ' A' ' 3' ' ' GLY . 21.3 m80 -163.42 -86.65 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.342 -1.093 . . . . 10.0 110.103 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.467 ' O ' ' HG2' ' A' ' 6' ' ' GLN . 1.0 OUTLIER -129.89 144.61 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.246 -0.909 . . . . 10.0 109.873 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 5' ' ' ILE . 1.3 mm-40 -175.77 -161.51 0.09 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.155 -0.965 . . . . 10.0 110.327 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.21 124.3 38.81 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.315 -0.865 . . . . 10.0 110.069 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.687 ' HB2' ' CB ' ' A' ' 11' ' ' LEU . 45.7 Cg_endo -71.54 153.34 60.33 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 O-C-N 123.983 1.517 . . . . 10.0 110.197 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.639 ' O ' ' N ' ' A' ' 11' ' ' LEU . 51.0 Cg_endo -78.72 114.93 3.52 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 O-C-N 123.887 1.467 . . . . 10.0 112.052 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.487 ' O ' HD11 ' A' ' 14' ' ' LEU . . . 39.05 19.78 0.01 OUTLIER Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.977 -1.249 . . . . 10.0 109.977 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.687 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 14.1 tp -66.05 -31.9 73.05 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.142 -1.211 . . . . 10.0 110.449 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 14.0 m -56.47 -77.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.248 -0.907 . . . . 10.0 110.197 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.0 tt0 -35.53 -41.53 0.2 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.566 -0.708 . . . . 10.0 110.71 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD11 ' O ' ' A' ' 10' ' ' GLY . 3.2 mp -65.15 -64.11 0.94 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.215 -0.928 . . . . 10.0 110.46 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' HG ' HD13 ' A' ' 11' ' ' LEU . 72.6 mt -66.15 -40.74 90.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.233 -0.917 . . . . 10.0 110.437 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.501 ' HB3' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -59.23 -60.25 4.16 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.013 -1.054 . . . . 10.0 109.416 179.612 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.513 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -46.65 -31.31 5.13 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 108.994 -1.642 . . . . 10.0 108.994 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.708 ' OH ' ' HA ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -62.46 -61.25 2.57 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.291 -1.123 . . . . 10.0 110.255 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.424 ' O ' ' CB ' ' A' ' 23' A LEU . 0.4 OUTLIER -42.96 -30.19 0.39 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.223 -0.923 . . . . 10.0 109.826 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.517 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 6.1 t -75.26 -29.64 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.293 -0.879 . . . . 10.0 110.155 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.513 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -91.19 -59.58 2.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.17 -0.956 . . . . 10.0 109.575 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.598 HG23 ' CE2' ' A' ' 33' ' ' PHE . 4.1 t -48.6 -39.19 10.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.616 -0.677 . . . . 10.0 109.896 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.483 HD23 ' HA ' ' B' ' 5' ' ' ILE . 16.7 tp -72.8 -50.65 22.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.864 . . . . 10.0 110.427 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.517 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -62.6 -58.3 8.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 10.0 110.544 -179.752 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HG3' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -76.53 -22.33 54.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 10.0 110.638 -179.541 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.562 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 1.2 mt-30 41.84 82.26 0.23 Allowed Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.151 -0.968 . . . . 10.0 110.372 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.87 164.5 34.4 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 O-C-N 123.94 1.495 . . . . 10.0 110.439 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.47 -25.82 29.54 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.011 1.532 . . . . 10.0 110.437 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.03 130.39 4.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.923 . . . . 10.0 110.109 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.6 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.7 OUTLIER -63.43 -60.07 3.85 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.214 -0.929 . . . . 10.0 110.436 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 30' ' ' LEU . 11.5 t -26.63 -61.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.51 -0.744 . . . . 10.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.472 ' OD1' ' HD3' ' B' ' 42' ' ' ARG . 0.4 OUTLIER -63.99 -52.91 57.37 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.567 -0.708 . . . . 10.0 110.131 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.638 ' CE2' ' CZ ' ' A' ' 18' ' ' TYR . 89.8 t80 -54.56 -42.45 71.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.272 -0.893 . . . . 10.0 109.81 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.708 ' HA ' ' OH ' ' A' ' 18' ' ' TYR . . . -54.98 -42.45 72.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 10.0 109.824 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.571 HG21 ' N ' ' B' ' 39' ' ' THR . 44.6 t -70.69 -53.42 22.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.363 -0.836 . . . . 10.0 110.648 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -48.9 -57.02 7.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 10.0 110.856 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.507 ' CG ' ' HE1' ' A' ' 18' ' ' TYR . 79.7 t80 -57.46 -74.42 0.06 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.94 . . . . 10.0 110.747 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CG ' ' HB2' ' B' ' 34' ' ' ALA . 24.0 m-85 -47.24 -56.31 6.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 10.0 110.774 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.557 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 54.4 m -42.77 -56.72 3.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.092 -1.005 . . . . 10.0 110.24 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.407 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 15.5 mtt85 -58.98 -26.07 64.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.212 -0.93 . . . . 10.0 109.973 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' PHE . 9.2 tp -75.39 -22.81 57.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 10.0 109.992 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -81.65 -14.95 56.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.342 -0.849 . . . . 10.0 110.015 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -107.6 -21.62 12.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.213 -0.929 . . . . 10.0 110.518 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.655 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -92.14 -77.74 0.42 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.151 -0.968 . . . . 10.0 110.774 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.655 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -7.23 82.35 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.22 0.533 . . . . 10.0 111.419 -178.819 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.3 tpm_? . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 117.929 -1.034 . . . . 10.0 110.198 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 55.6 m80 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.203 0.525 . . . . 10.0 110.186 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.17 44.45 7.77 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.295 -0.878 . . . . 10.0 110.196 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . 0.57 ' O ' ' CG ' ' B' ' 4' ' ' HIS . . . -172.65 -166.42 31.16 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.587 -1.405 . . . . 10.0 109.587 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' B' ' 3' ' ' GLY . 20.9 m80 -163.36 -86.51 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.192 -1.181 . . . . 10.0 110.068 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.483 ' HA ' HD23 ' A' ' 23' A LEU . 1.0 OUTLIER -130.02 144.69 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.276 -0.89 . . . . 10.0 109.889 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' B' ' 5' ' ' ILE . 1.4 mm-40 -175.93 -161.28 0.08 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.15 -0.968 . . . . 10.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.2 124.39 38.49 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.26 -0.9 . . . . 10.0 110.123 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.689 ' HB2' ' CB ' ' B' ' 11' ' ' LEU . 47.0 Cg_endo -71.56 153.41 60.22 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 123.866 1.456 . . . . 10.0 110.34 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.637 ' O ' ' N ' ' B' ' 11' ' ' LEU . 51.6 Cg_endo -78.9 114.77 3.46 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 O-C-N 123.826 1.435 . . . . 10.0 112.056 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.488 ' O ' HD11 ' B' ' 14' ' ' LEU . . . 39.27 19.51 0.01 OUTLIER Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.928 -1.269 . . . . 10.0 109.928 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.689 ' CB ' ' HB2' ' B' ' 8' ' ' PRO . 14.0 tp -65.96 -32.17 73.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.0 -1.294 . . . . 10.0 110.392 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.5 ' O ' ' HB3' ' B' ' 16' ' ' GLN . 12.1 m -56.01 -78.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 10.0 110.167 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.0 tt0 -35.43 -41.89 0.2 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.585 -0.697 . . . . 10.0 110.713 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.488 HD11 ' O ' ' B' ' 10' ' ' GLY . 2.9 mp -64.68 -64.0 0.98 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 10.0 110.43 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.473 ' HG ' HD13 ' B' ' 11' ' ' LEU . 74.3 mt -66.16 -41.12 90.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.933 . . . . 10.0 110.498 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.5 ' HB3' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -58.77 -60.49 3.75 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.012 -1.055 . . . . 10.0 109.549 179.588 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.507 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -46.4 -31.31 4.77 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.995 -1.642 . . . . 10.0 108.995 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.694 ' OH ' ' HA ' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -62.43 -61.22 2.59 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.293 -1.122 . . . . 10.0 110.281 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.426 ' O ' ' CB ' ' B' ' 23' B LEU . 0.4 OUTLIER -42.94 -30.11 0.38 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.184 -0.948 . . . . 10.0 109.816 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 5.4 t -75.34 -29.92 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.267 -0.896 . . . . 10.0 110.213 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.9 OUTLIER -90.97 -59.24 2.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.168 -0.957 . . . . 10.0 109.525 179.772 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.596 HG23 ' CE2' ' B' ' 33' ' ' PHE . 4.0 t -49.03 -38.92 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.675 -0.64 . . . . 10.0 109.943 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.426 ' CB ' ' O ' ' B' ' 19' ' ' THR . 17.1 tp -73.11 -51.14 19.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.257 -0.902 . . . . 10.0 110.378 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.514 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -62.04 -58.13 9.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.131 -0.98 . . . . 10.0 110.67 -179.719 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.525 ' HG3' ' N ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -76.69 -22.4 54.0 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.185 -0.947 . . . . 10.0 110.637 -179.605 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.562 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 1.2 mt-30 41.97 82.4 0.23 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.211 -0.931 . . . . 10.0 110.294 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -69.96 164.29 35.29 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 124.04 1.547 . . . . 10.0 110.475 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.42 -24.97 30.63 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 O-C-N 123.983 1.517 . . . . 10.0 110.528 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.96 130.54 4.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.362 -0.836 . . . . 10.0 110.031 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.601 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.6 OUTLIER -63.71 -60.56 3.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.909 . . . . 10.0 110.392 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.601 ' C ' ' O ' ' B' ' 30' ' ' LEU . 10.9 t -26.03 -60.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.55 -0.719 . . . . 10.0 110.39 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.54 -52.7 56.37 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.542 -0.724 . . . . 10.0 110.123 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.639 ' CE2' ' CZ ' ' B' ' 18' ' ' TYR . 89.6 t80 -54.71 -42.15 71.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.944 . . . . 10.0 109.688 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.694 ' HA ' ' OH ' ' B' ' 18' ' ' TYR . . . -55.05 -43.12 73.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.33 -0.856 . . . . 10.0 109.75 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' B' ' 39' ' ' THR . 42.8 t -70.22 -53.5 22.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.316 -0.865 . . . . 10.0 110.659 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -48.79 -57.89 5.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.208 -0.932 . . . . 10.0 110.967 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.509 ' CG ' ' HE1' ' B' ' 18' ' ' TYR . 78.9 t80 -56.63 -74.15 0.05 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.189 -0.944 . . . . 10.0 110.823 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.632 ' CG ' ' HB2' ' A' ' 34' ' ' ALA . 24.1 m-85 -47.59 -56.19 7.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.29 -0.881 . . . . 10.0 110.859 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.571 ' N ' HG21 ' A' ' 35' ' ' VAL . 54.5 m -42.66 -56.64 3.06 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.146 -0.971 . . . . 10.0 110.237 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.407 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 15.7 mtt85 -59.09 -25.63 63.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.17 -0.956 . . . . 10.0 110.033 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.467 ' HB3' HG11 ' A' ' 31' ' ' VAL . 9.3 tp -75.87 -22.85 55.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.21 -0.931 . . . . 10.0 109.965 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.472 ' HD3' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -81.69 -14.66 56.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.324 -0.86 . . . . 10.0 109.979 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -108.05 -20.92 13.01 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.164 -0.96 . . . . 10.0 110.485 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.652 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -92.93 -77.49 0.44 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.168 -0.957 . . . . 10.0 110.701 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.652 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -7.48 82.52 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.296 0.569 . . . . 10.0 111.421 -178.805 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' B' ' 44' ' ' ALA . 1.3 tpm_? . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.015 -0.993 . . . . 10.0 110.164 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.53 ' CG ' ' SD ' ' A' ' 2' ' ' MET . 12.7 t-160 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.205 0.526 . . . . 10.0 110.181 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.53 ' SD ' ' CG ' ' A' ' 1' ' ' HIS . 0.0 OUTLIER -127.65 77.73 1.77 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.261 -0.899 . . . . 10.0 110.063 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 2' ' ' MET . . . -42.46 137.79 3.05 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.588 -1.405 . . . . 10.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.646 ' CE1' ' CD1' ' A' ' 5' ' ' ILE . 2.2 t-160 -149.99 -39.83 0.14 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -1.118 . . . . 10.0 110.082 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.646 ' CD1' ' CE1' ' A' ' 4' ' ' HIS . 15.3 mm -122.03 -165.62 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.445 -0.784 . . . . 10.0 109.747 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.743 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -99.19 -163.13 1.01 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.111 -0.993 . . . . 10.0 109.747 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.833 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 1.7 mm -112.97 24.61 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 120.683 -1.26 . . . . 10.0 112.735 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.833 ' CD ' ' N ' ' A' ' 7' ' ' ILE . 55.5 Cg_endo -81.49 129.78 6.7 Favored 'Trans proline' 0 C--N 1.3 -1.99 0 C-N-CA 121.545 1.496 . . . . 10.0 110.255 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -78.06 119.58 4.72 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 O-C-N 123.831 1.437 . . . . 10.0 110.604 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.63 1.08 55.36 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.874 -1.29 . . . . 10.0 109.874 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.596 ' HB2' ' HG2' ' A' ' 8' ' ' PRO . 0.6 OUTLIER -73.29 -46.48 49.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.099 -1.236 . . . . 10.0 110.397 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.51 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 18.8 m -35.62 -62.22 0.42 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.453 -0.779 . . . . 10.0 110.196 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.5 tt0 -41.36 -49.77 3.79 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.487 -0.758 . . . . 10.0 110.292 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 2.6 mp -56.09 -68.24 0.22 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.203 -0.935 . . . . 10.0 110.424 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -57.74 -58.42 8.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.19 -0.944 . . . . 10.0 110.391 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 12' ' ' THR . 2.2 tt0 -40.56 -43.92 1.98 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.167 -0.958 . . . . 10.0 109.815 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.472 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -52.3 -60.77 7.31 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 108.796 -1.722 . . . . 10.0 108.796 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -39.0 -56.3 1.43 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.499 -1.001 . . . . 10.0 110.138 179.465 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.498 ' OG1' ' HA ' ' B' ' 5' ' ' ILE . 1.1 m -47.76 -40.03 19.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.469 -0.769 . . . . 10.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.781 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 99.1 t -77.35 -20.69 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.183 -0.948 . . . . 10.0 110.751 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.545 ' HG3' ' CA ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -92.72 -52.1 4.78 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.857 -1.152 . . . . 10.0 109.899 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.582 ' C ' ' HG3' ' B' ' 6' ' ' GLN . 3.1 t -59.72 -28.73 41.18 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.623 -0.673 . . . . 10.0 110.049 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.681 ' N ' ' HG3' ' B' ' 6' ' ' GLN . 13.9 tp -88.81 -31.45 18.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 10.0 110.095 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.781 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -96.88 35.46 1.54 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 10.0 110.387 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.548 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -175.08 -34.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 10.0 110.465 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER 40.97 79.94 0.3 Allowed Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.359 -0.838 . . . . 10.0 110.224 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.635 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -70.44 170.72 16.72 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 O-C-N 124.025 1.539 . . . . 10.0 110.684 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.83 -24.68 29.07 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 O-C-N 124.02 1.537 . . . . 10.0 110.467 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -142.19 132.04 24.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 10.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.568 ' CD1' ' HG ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -86.0 -67.85 0.78 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.206 -0.934 . . . . 10.0 110.277 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.542 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.7 t -34.04 -66.4 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.312 -0.867 . . . . 10.0 109.706 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.471 ' OD2' ' HD3' ' B' ' 42' ' ' ARG . 5.3 t0 -50.51 -44.04 55.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.674 -0.641 . . . . 10.0 109.527 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.635 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 0.7 OUTLIER -57.06 -63.06 1.34 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.229 -0.919 . . . . 10.0 109.057 178.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 18' ' ' TYR . . . -44.84 -29.95 0.89 Allowed 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.511 -0.743 . . . . 10.0 109.84 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.565 ' CG2' ' N ' ' B' ' 39' ' ' THR . 2.7 t -81.26 -52.77 13.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.338 -0.851 . . . . 10.0 109.764 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.515 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.5 mm-40 -53.12 -45.15 68.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.363 -0.835 . . . . 10.0 110.276 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -64.89 -70.35 0.24 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 10.0 110.579 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.447 ' HB3' HG23 ' B' ' 35' ' ' VAL . 19.2 m-85 -53.19 -48.17 68.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.262 -0.899 . . . . 10.0 110.531 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.532 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 37.2 m -51.17 -48.4 61.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.045 -1.034 . . . . 10.0 109.934 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -65.08 -23.53 67.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.251 -0.906 . . . . 10.0 109.926 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 6.8 tp -72.77 -28.4 62.58 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.29 -0.881 . . . . 10.0 110.153 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' HG2' HG13 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -67.39 -21.37 65.61 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.16 -0.963 . . . . 10.0 110.1 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' ALA . 1.3 mt-10 -80.65 -16.39 54.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.259 -0.901 . . . . 10.0 110.33 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 41' ' ' LEU . . . -41.73 -67.9 0.23 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.2 -0.938 . . . . 10.0 110.436 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.505 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -40.04 165.18 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.314 -0.554 . . . . 10.0 110.56 -178.699 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 45' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 118.01 -0.995 . . . . 10.0 110.244 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.536 ' CG ' ' SD ' ' B' ' 2' ' ' MET . 12.3 t-160 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.207 0.527 . . . . 10.0 110.185 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' MET . . . . . 0.536 ' SD ' ' CG ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER -127.68 77.76 1.77 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.227 -0.92 . . . . 10.0 110.19 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' B' ' 2' ' ' MET . . . -42.52 137.76 3.12 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.628 -1.389 . . . . 10.0 109.628 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.645 ' CE1' ' CD1' ' B' ' 5' ' ' ILE . 2.2 t-160 -150.27 -40.46 0.13 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.213 -1.169 . . . . 10.0 110.05 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.645 ' CD1' ' CE1' ' B' ' 4' ' ' HIS . 15.7 mm -121.39 -165.45 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.519 -0.738 . . . . 10.0 109.742 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.732 ' HB3' ' HD3' ' B' ' 8' ' ' PRO . 0.7 OUTLIER -99.7 -163.66 1.05 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.196 -0.94 . . . . 10.0 109.8 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.839 ' N ' ' CD ' ' B' ' 8' ' ' PRO . 1.9 mm -112.96 24.58 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 120.711 -1.243 . . . . 10.0 112.647 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.839 ' CD ' ' N ' ' B' ' 7' ' ' ILE . 55.4 Cg_endo -81.79 129.02 6.15 Favored 'Trans proline' 0 C--N 1.3 -1.996 0 C-N-CA 121.493 1.462 . . . . 10.0 109.967 178.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -77.4 119.28 4.87 Favored 'Trans proline' 0 C--N 1.303 -1.866 0 O-C-N 123.8 1.421 . . . . 10.0 110.64 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.79 1.55 55.18 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.951 -1.26 . . . . 10.0 109.951 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.612 ' HB2' ' HG2' ' B' ' 8' ' ' PRO . 0.7 OUTLIER -73.39 -47.45 41.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.078 -1.248 . . . . 10.0 110.375 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 18.6 m -34.7 -62.77 0.34 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.371 -0.831 . . . . 10.0 110.295 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.2 tt0 -40.76 -50.15 3.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.517 -0.74 . . . . 10.0 110.291 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 2.5 mp -55.86 -69.39 0.14 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.336 -0.852 . . . . 10.0 110.429 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' B' ' 16' ' ' GLN . 0.8 OUTLIER -56.56 -58.36 8.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.18 -0.95 . . . . 10.0 110.349 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.0 tt0 -40.64 -44.25 2.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.195 -0.941 . . . . 10.0 109.906 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -52.31 -60.23 7.99 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.732 -1.747 . . . . 10.0 108.732 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.572 ' CZ ' ' HB3' ' B' ' 34' ' ' ALA . 0.9 OUTLIER -39.23 -56.63 1.48 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.457 -1.026 . . . . 10.0 110.153 179.522 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.474 ' OG1' ' HA ' ' A' ' 5' ' ' ILE . 1.1 m -47.69 -39.33 17.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.473 -0.767 . . . . 10.0 110.283 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.794 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 93.2 t -77.64 -21.15 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 10.0 110.714 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.549 ' HG3' ' CA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -92.41 -51.54 5.09 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.836 -1.165 . . . . 10.0 109.971 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.548 ' C ' ' HG3' ' A' ' 6' ' ' GLN . 3.3 t -60.04 -30.68 46.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.549 -0.719 . . . . 10.0 110.164 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.571 ' N ' ' HG3' ' A' ' 6' ' ' GLN . 13.0 tp -87.57 -30.7 20.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.232 -0.918 . . . . 10.0 110.218 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.794 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -97.14 35.36 1.6 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.088 -1.007 . . . . 10.0 110.39 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.543 ' CG ' ' HD3' ' B' ' 27' ' ' PRO . 0.3 OUTLIER -175.26 -33.75 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.173 -0.954 . . . . 10.0 110.415 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.1 OUTLIER 40.9 79.9 0.3 Allowed Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.335 -0.853 . . . . 10.0 110.207 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.636 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 44.3 Cg_endo -70.41 170.67 16.78 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 O-C-N 124.026 1.54 . . . . 10.0 110.605 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.98 -24.32 28.82 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 O-C-N 123.994 1.523 . . . . 10.0 110.507 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -142.51 131.84 23.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.873 . . . . 10.0 110.208 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.56 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 0.4 OUTLIER -85.88 -67.84 0.78 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.272 -0.892 . . . . 10.0 110.23 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.539 ' C ' ' O ' ' B' ' 30' ' ' LEU . 13.9 t -34.25 -66.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.324 -0.86 . . . . 10.0 109.736 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -50.51 -43.75 55.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.582 -0.699 . . . . 10.0 109.562 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.636 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 0.8 OUTLIER -57.27 -63.03 1.36 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 10.0 108.986 178.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.572 ' HB3' ' CZ ' ' B' ' 18' ' ' TYR . . . -44.66 -30.28 0.9 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.497 -0.752 . . . . 10.0 109.786 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.525 ' O ' ' HB ' ' B' ' 39' ' ' THR . 2.7 t -81.07 -52.69 13.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.249 -0.907 . . . . 10.0 109.819 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 1.4 mm-40 -53.08 -45.57 68.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.855 . . . . 10.0 110.4 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -64.57 -70.23 0.24 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 10.0 110.564 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.454 ' HB3' HG23 ' A' ' 35' ' ' VAL . 19.6 m-85 -53.28 -48.04 68.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 10.0 110.546 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.565 ' N ' ' CG2' ' A' ' 35' ' ' VAL . 40.1 m -51.04 -48.48 61.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.972 -1.08 . . . . 10.0 109.827 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -65.02 -23.61 67.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.364 -0.835 . . . . 10.0 110.019 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 6.8 tp -72.65 -28.07 62.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.347 -0.846 . . . . 10.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.471 ' HD3' ' OD2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -67.83 -21.37 65.2 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 10.0 110.081 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' B' ' 44' ' ' ALA . 1.3 mt-10 -80.41 -16.36 54.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.282 -0.886 . . . . 10.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' B' ' 41' ' ' LEU . . . -41.93 -68.12 0.21 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.219 -0.926 . . . . 10.0 110.394 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.504 ' O ' ' O ' ' B' ' 44' ' ' ALA . 0.2 OUTLIER -39.85 164.94 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 120.206 -0.598 . . . . 10.0 110.572 -178.695 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' B' ' 45' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.062 -0.97 . . . . 10.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 73.6 m80 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 121.171 0.51 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -147.96 -177.36 5.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.075 -1.015 . . . . 10.0 110.244 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.83 -75.32 0.1 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.349 -1.501 . . . . 10.0 109.349 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -143.94 31.5 1.27 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.273 -1.133 . . . . 10.0 109.953 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.9 mm -123.06 148.45 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 10.0 110.248 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' A' ' 7' ' ' ILE . 6.0 tt0 -142.19 -170.21 3.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.293 -0.879 . . . . 10.0 109.893 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.696 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -39.19 108.07 0.46 Allowed Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.262 -0.899 . . . . 10.0 109.926 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -73.03 110.33 3.02 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 O-C-N 123.808 1.425 . . . . 10.0 110.805 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.512 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 49.7 Cg_endo -78.07 165.89 25.5 Favored 'Trans proline' 0 C--N 1.303 -1.841 0 O-C-N 124.078 1.567 . . . . 10.0 110.347 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.54 2.25 43.68 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.768 -1.333 . . . . 10.0 109.768 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.534 ' O ' HD13 ' A' ' 11' ' ' LEU . 6.6 tp -55.2 -41.96 72.65 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.181 -1.188 . . . . 10.0 110.083 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 11' ' ' LEU . 1.3 m -41.32 -26.73 0.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 10.0 110.09 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' LEU . 33.6 tp10 -68.32 -66.01 0.62 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.236 -0.915 . . . . 10.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 mt -44.77 -42.67 7.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.233 -0.917 . . . . 10.0 110.21 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.937 ' HG ' ' HG ' ' B' ' 15' ' ' LEU . 3.0 tm? -61.34 -71.82 0.13 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.209 -0.932 . . . . 10.0 110.221 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.551 ' N ' HD11 ' A' ' 15' ' ' LEU . 1.3 mt-30 -38.36 -29.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.406 -0.809 . . . . 10.0 110.016 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.572 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -79.9 -43.23 10.11 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.315 -1.514 . . . . 10.0 109.315 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -70.23 -40.7 74.33 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.141 -1.211 . . . . 10.0 109.766 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.464 ' OG1' ' CD2' ' B' ' 11' ' ' LEU . 1.9 m -66.77 -31.99 73.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.071 -1.018 . . . . 10.0 109.732 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 16' ' ' GLN . 17.7 t -69.12 -26.15 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.264 -0.898 . . . . 10.0 109.999 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' OE2' ' CD1' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -75.13 -31.05 60.98 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.224 -0.922 . . . . 10.0 109.284 179.353 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.474 HG22 ' CE1' ' A' ' 33' ' ' PHE . 1.6 t -76.49 -22.13 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.633 -0.667 . . . . 10.0 110.413 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.618 HD11 ' CD1' ' B' ' 7' ' ' ILE . 0.1 OUTLIER -89.82 -25.77 20.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.23 -0.919 . . . . 10.0 110.469 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.61 -14.85 41.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.897 . . . . 10.0 110.167 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' NE2' ' CE2' ' A' ' 33' ' ' PHE . 5.5 pt20 -126.58 -33.75 2.51 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.184 -0.947 . . . . 10.0 110.112 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 25' ' ' GLN . 1.2 mt-30 51.06 78.05 0.42 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.354 -0.841 . . . . 10.0 110.575 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.459 ' HD3' ' CG ' ' A' ' 25' ' ' GLN . 44.6 Cg_endo -70.29 166.72 27.33 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 O-C-N 123.958 1.504 . . . . 10.0 110.485 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.57 -5.19 15.5 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.994 1.523 . . . . 10.0 110.221 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.527 ' OD2' ' CB ' ' A' ' 32' ' ' ASP . 19.3 p-10 -165.66 126.57 1.88 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.823 . . . . 10.0 109.817 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.6 ' O ' ' C ' ' A' ' 31' ' ' VAL . 42.3 tp -79.04 -71.15 0.46 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.137 -0.977 . . . . 10.0 110.781 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 30' ' ' LEU . 18.4 t -21.35 -61.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 CA-C-O 121.698 0.761 . . . . 10.0 110.508 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.542 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -63.07 -50.8 69.15 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.62 -0.675 . . . . 10.0 110.021 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.563 ' N ' ' O ' ' A' ' 30' ' ' LEU . 35.4 t80 -55.87 -50.2 71.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.897 -1.127 . . . . 10.0 109.178 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.05 -30.52 2.74 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.386 -0.821 . . . . 10.0 109.506 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.6 HG21 ' CA ' ' B' ' 39' ' ' THR . 2.8 t -78.69 -51.65 16.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 O-C-N 121.478 -0.764 . . . . 10.0 109.566 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -46.41 -36.21 6.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.246 -0.909 . . . . 10.0 109.758 179.658 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.574 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 28.3 t80 -71.01 -66.12 0.65 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.925 . . . . 10.0 110.038 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HB2' HG23 ' B' ' 35' ' ' VAL . 35.1 m-85 -60.77 -50.23 74.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.217 -0.927 . . . . 10.0 109.958 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.611 ' OG1' HG21 ' B' ' 35' ' ' VAL . 51.5 m -48.91 -40.22 29.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.297 -0.877 . . . . 10.0 109.783 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 3.1 ttp85 -83.05 -25.15 32.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.353 -0.842 . . . . 10.0 109.988 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.526 ' O ' ' C ' ' A' ' 42' ' ' ARG . 11.3 tp -50.5 -55.53 15.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 10.0 110.037 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.531 ' CG ' ' O ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -37.2 -40.37 0.32 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.259 -0.901 . . . . 10.0 109.615 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.5 mt-10 -89.48 -60.34 1.97 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.479 -0.763 . . . . 10.0 109.679 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.674 ' O ' ' N ' ' A' ' 46' ' ' ARG . . . 67.77 -55.09 0.49 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.487 -0.758 . . . . 10.0 110.543 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.563 ' O ' ' C ' ' A' ' 46' ' ' ARG . 3.5 tmm_? -33.44 83.95 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.317 -178.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.674 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.823 0 CA-C-O 117.987 -1.006 . . . . 10.0 110.815 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 72.0 m80 . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 121.202 0.525 . . . . 10.0 110.077 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -147.44 -178.51 6.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.051 -1.031 . . . . 10.0 110.343 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.95 -75.19 0.1 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.337 -1.505 . . . . 10.0 109.337 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -143.87 31.48 1.28 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.232 -1.158 . . . . 10.0 110.023 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 41.8 mm -123.18 148.61 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.301 -0.875 . . . . 10.0 110.322 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' B' ' 7' ' ' ILE . 5.4 tt0 -142.37 -170.27 3.15 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.254 -0.904 . . . . 10.0 109.886 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.695 ' CG2' ' O ' ' B' ' 7' ' ' ILE . 0.3 OUTLIER -39.16 108.06 0.46 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.264 -0.897 . . . . 10.0 109.852 179.791 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.97 110.31 3.01 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.802 1.422 . . . . 10.0 110.799 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' B' ' 7' ' ' ILE . 50.5 Cg_endo -78.1 165.73 25.65 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 123.997 1.525 . . . . 10.0 110.288 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.74 2.7 43.12 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.793 -1.323 . . . . 10.0 109.793 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.544 HD13 ' O ' ' B' ' 11' ' ' LEU . 6.2 tp -55.44 -42.09 73.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.114 -1.227 . . . . 10.0 110.009 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.428 ' C ' ' O ' ' B' ' 11' ' ' LEU . 1.3 m -40.95 -26.87 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.278 -0.889 . . . . 10.0 110.016 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' LEU . 33.2 tp10 -68.23 -65.9 0.64 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.261 -0.899 . . . . 10.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 13' ' ' GLU . 54.3 mt -44.86 -42.24 7.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 10.0 110.129 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.937 ' HG ' ' HG ' ' A' ' 15' ' ' LEU . 3.0 tm? -61.41 -71.83 0.14 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.249 -0.907 . . . . 10.0 110.181 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.556 ' N ' HD11 ' B' ' 15' ' ' LEU . 1.5 mt-30 -38.71 -28.74 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.423 -0.798 . . . . 10.0 110.024 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.569 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -80.07 -43.62 9.63 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.357 -1.497 . . . . 10.0 109.357 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' B' ' 18' ' ' TYR . 0.0 OUTLIER -70.32 -40.14 74.36 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.192 -1.181 . . . . 10.0 109.759 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.492 ' OG1' ' CD2' ' A' ' 11' ' ' LEU . 2.0 m -67.19 -32.15 73.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.124 -0.985 . . . . 10.0 109.643 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' B' ' 16' ' ' GLN . 16.8 t -68.92 -26.38 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.358 -0.839 . . . . 10.0 110.075 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.575 ' OE2' ' CD1' ' B' ' 37' ' ' TYR . 0.7 OUTLIER -74.9 -31.32 61.54 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.168 -0.958 . . . . 10.0 109.236 179.397 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.474 HG22 ' CE1' ' B' ' 33' ' ' PHE . 1.6 t -76.33 -21.92 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.591 -0.693 . . . . 10.0 110.413 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.601 HD11 ' CD1' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -89.92 -25.96 20.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.13 -0.981 . . . . 10.0 110.401 -179.761 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -14.92 41.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.107 -0.995 . . . . 10.0 110.181 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.489 ' NE2' ' CE2' ' B' ' 33' ' ' PHE . 5.5 pt20 -126.4 -33.73 2.55 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.205 -0.934 . . . . 10.0 110.123 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' B' ' 25' ' ' GLN . 1.2 mt-30 50.95 78.2 0.41 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.39 -0.819 . . . . 10.0 110.524 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.455 ' HD3' ' CG ' ' B' ' 25' ' ' GLN . 44.0 Cg_endo -70.41 166.55 28.04 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 O-C-N 123.891 1.469 . . . . 10.0 110.445 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.62 -4.93 14.92 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 124.039 1.547 . . . . 10.0 110.282 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.528 ' OD2' ' CB ' ' B' ' 32' ' ' ASP . 19.4 p-10 -165.7 126.03 1.8 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.468 -0.77 . . . . 10.0 109.795 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.601 ' O ' ' C ' ' B' ' 31' ' ' VAL . 41.1 tp -78.6 -71.18 0.45 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 10.0 110.673 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.601 ' C ' ' O ' ' B' ' 30' ' ' LEU . 18.1 t -21.37 -61.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.561 -0.712 . . . . 10.0 110.457 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.542 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 0.6 OUTLIER -63.08 -50.69 69.58 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.75 -0.594 . . . . 10.0 110.061 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.563 ' N ' ' O ' ' B' ' 30' ' ' LEU . 35.4 t80 -55.98 -50.17 71.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.965 -1.084 . . . . 10.0 109.2 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.11 -30.41 2.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.394 -0.816 . . . . 10.0 109.506 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.611 HG21 ' OG1' ' A' ' 39' ' ' THR . 3.0 t -78.89 -51.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 O-C-N 121.33 -0.856 . . . . 10.0 109.69 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.501 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -46.43 -36.02 6.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 10.0 109.734 179.624 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.575 ' CD1' ' OE2' ' B' ' 21' ' ' GLU . 29.1 t80 -71.21 -66.24 0.64 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.328 -0.857 . . . . 10.0 110.073 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.428 ' HB2' HG23 ' A' ' 35' ' ' VAL . 34.4 m-85 -60.69 -50.47 73.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.272 -0.892 . . . . 10.0 109.874 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.6 ' CA ' HG21 ' A' ' 35' ' ' VAL . 56.1 m -48.87 -39.7 26.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.275 -0.891 . . . . 10.0 109.892 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 3.3 ttp85 -83.31 -25.42 31.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.33 -0.856 . . . . 10.0 109.836 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.525 ' O ' ' C ' ' B' ' 42' ' ' ARG . 11.1 tp -49.94 -55.83 13.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.297 -0.877 . . . . 10.0 109.986 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.525 ' C ' ' O ' ' B' ' 41' ' ' LEU . 0.0 OUTLIER -37.28 -39.86 0.3 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.356 -0.84 . . . . 10.0 109.579 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 1.4 mt-10 -89.99 -60.43 1.94 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.466 -0.771 . . . . 10.0 109.726 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.674 ' O ' ' N ' ' B' ' 46' ' ' ARG . . . 67.72 -55.16 0.49 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.366 -0.834 . . . . 10.0 110.552 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.562 ' O ' ' C ' ' B' ' 46' ' ' ARG . 3.5 tmm_? -33.35 83.99 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.145 0.498 . . . . 10.0 111.374 -178.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.674 ' N ' ' O ' ' B' ' 44' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 117.925 -1.036 . . . . 10.0 110.799 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 51.6 m170 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.258 0.552 . . . . 10.0 110.261 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.9 mmm -107.85 57.93 0.62 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.227 -0.921 . . . . 10.0 110.222 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.08 123.4 6.83 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.584 -1.406 . . . . 10.0 109.584 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -113.65 -145.11 0.39 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.232 -1.158 . . . . 10.0 110.13 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.692 ' O ' ' CG2' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -136.05 107.71 7.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.159 -0.963 . . . . 10.0 110.029 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER 179.82 146.61 0.23 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.2 -0.938 . . . . 10.0 109.904 -179.749 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.632 ' O ' ' CD1' ' A' ' 7' ' ' ILE . 1.8 pp -37.71 131.37 0.88 Allowed Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.306 -0.871 . . . . 10.0 110.216 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -75.38 111.23 3.26 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 O-C-N 123.951 1.501 . . . . 10.0 110.943 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 46.2 Cg_endo -73.81 -177.54 3.21 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 O-C-N 123.971 1.511 . . . . 10.0 110.317 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.475 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . 75.42 11.14 84.47 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.696 -1.362 . . . . 10.0 109.696 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -26.06 59.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.277 -1.131 . . . . 10.0 110.156 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 13' ' ' GLU . 1.8 m -61.71 -66.31 0.56 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 10.0 110.35 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.7 pt-20 -35.2 -48.85 0.46 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.591 -0.693 . . . . 10.0 110.691 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD11 HD21 ' B' ' 30' ' ' LEU . 1.0 OUTLIER -55.71 -62.42 1.7 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.202 -0.936 . . . . 10.0 110.126 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' GLN . 11.9 mt -64.74 -56.63 12.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 10.0 110.155 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.8 tt0 -42.27 -57.98 2.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.224 -0.922 . . . . 10.0 109.829 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -46.41 -50.41 13.64 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.753 -1.739 . . . . 10.0 108.753 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.598 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.6 OUTLIER -41.96 -63.07 0.79 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.338 -1.095 . . . . 10.0 109.946 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.535 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -47.24 -24.84 0.8 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.429 -0.795 . . . . 10.0 110.128 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.464 HG22 HG23 ' A' ' 19' ' ' THR . 16.4 t -89.66 -33.8 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.243 -0.91 . . . . 10.0 110.438 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.598 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.82 -44.41 55.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.097 -1.002 . . . . 10.0 108.897 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' A' ' 26' ' ' GLN . 16.8 t -63.36 -52.64 55.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.878 -0.514 . . . . 10.0 110.026 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 19' ' ' THR . 2.1 tp -55.62 -27.05 47.49 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.222 -0.923 . . . . 10.0 109.933 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -65.95 -13.43 59.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.373 -0.829 . . . . 10.0 110.239 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.566 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -158.55 14.44 0.19 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.201 -0.937 . . . . 10.0 110.741 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.566 ' C ' ' O ' ' A' ' 25' ' ' GLN . 49.2 mt-30 26.24 55.9 0.4 Allowed Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.389 -0.819 . . . . 10.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.48 ' HD3' ' HG3' ' A' ' 25' ' ' GLN . 44.3 Cg_endo -70.93 119.56 6.4 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 O-C-N 123.882 1.464 . . . . 10.0 110.784 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -70.19 -0.95 8.03 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 O-C-N 123.979 1.515 . . . . 10.0 110.274 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.537 ' O ' ' C ' ' A' ' 30' ' ' LEU . 2.0 m-20 -100.46 27.93 5.41 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.299 -0.876 . . . . 10.0 110.254 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.537 ' C ' ' O ' ' A' ' 29' ' ' ASP . 2.1 tp -29.91 -61.72 0.15 Allowed 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.028 0.442 . . . . 10.0 110.333 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 30' ' ' LEU . 16.6 t -41.29 -67.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.275 -0.89 . . . . 10.0 109.18 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.523 ' OD1' ' NH1' ' B' ' 42' ' ' ARG . 6.6 t0 -49.27 -48.63 45.77 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.47 ' O ' ' C ' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -49.45 -58.9 4.3 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.634 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.535 ' CA ' ' OH ' ' A' ' 18' ' ' TYR . . . -40.66 -51.86 2.97 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.923 -0.711 . . . . 10.0 109.607 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.647 ' O ' ' HB ' ' A' ' 39' ' ' THR . 4.1 t -65.37 -56.23 16.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.291 -0.881 . . . . 10.0 109.791 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -39.73 -58.34 1.36 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.333 -0.854 . . . . 10.0 110.507 179.73 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.592 ' CE1' HD22 ' A' ' 41' ' ' LEU . 7.5 t80 -63.57 -76.96 0.06 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.29 -0.881 . . . . 10.0 110.527 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' LEU . 17.9 m-85 -41.95 -60.57 1.36 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.294 -0.878 . . . . 10.0 110.768 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.647 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 17.1 m -39.91 -49.05 2.41 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.11 -0.994 . . . . 10.0 109.756 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -39.82 68.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 10.0 109.336 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.592 HD22 ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -69.13 -22.17 63.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.5 -0.75 . . . . 10.0 109.577 179.439 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.466 ' HD3' ' CG ' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -71.62 -29.43 64.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.321 -0.862 . . . . 10.0 109.594 179.458 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 44' ' ' ALA . 24.3 mm-40 -70.88 -15.61 62.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.434 -0.791 . . . . 10.0 110.052 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.644 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -42.02 -79.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.335 -0.853 . . . . 10.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.644 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.7 OUTLIER 14.49 94.71 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.18 0.514 . . . . 10.0 110.681 -179.066 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.495 ' HB3' ' O ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 117.988 -1.006 . . . . 10.0 109.72 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 50.7 m170 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.25 0.548 . . . . 10.0 110.207 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 8.8 mmm -107.61 57.55 0.63 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 10.0 110.224 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.84 123.88 7.02 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.545 -1.422 . . . . 10.0 109.545 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -113.94 -145.09 0.39 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.213 -1.169 . . . . 10.0 110.119 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.693 ' CG2' ' O ' ' B' ' 5' ' ' ILE . 0.4 OUTLIER -136.14 107.58 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.201 -0.937 . . . . 10.0 110.012 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.516 ' HB2' ' O ' ' B' ' 5' ' ' ILE . 0.0 OUTLIER 179.66 146.77 0.22 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.264 -0.897 . . . . 10.0 109.863 -179.723 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.638 ' CD1' ' O ' ' B' ' 7' ' ' ILE . 1.8 pp -37.59 131.16 0.86 Allowed Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.361 -0.837 . . . . 10.0 110.275 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -75.45 111.21 3.25 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 123.956 1.503 . . . . 10.0 110.856 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' B' ' 7' ' ' ILE . 46.7 Cg_endo -73.84 -177.72 3.33 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 O-C-N 123.971 1.511 . . . . 10.0 110.202 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.472 ' O ' ' HG2' ' B' ' 13' ' ' GLU . . . 75.66 11.22 84.62 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.594 -1.402 . . . . 10.0 109.594 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.82 -26.49 59.75 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -1.133 . . . . 10.0 110.128 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.496 ' O ' ' C ' ' B' ' 13' ' ' GLU . 1.8 m -61.67 -65.91 0.62 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.377 -0.827 . . . . 10.0 110.424 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' B' ' 12' ' ' THR . 4.7 pt-20 -35.64 -47.99 0.5 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.601 -0.687 . . . . 10.0 110.577 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.458 HD11 HD21 ' A' ' 30' ' ' LEU . 1.1 mt -56.67 -61.7 2.24 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.099 -1.001 . . . . 10.0 110.137 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' B' ' 16' ' ' GLN . 11.7 mt -65.35 -56.68 11.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.22 -0.925 . . . . 10.0 110.081 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' B' ' 15' ' ' LEU . 1.7 tt0 -42.08 -57.8 2.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 10.0 109.862 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' B' ' 20' ' ' VAL . . . -46.55 -50.16 14.55 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 108.854 -1.698 . . . . 10.0 108.854 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.596 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.6 OUTLIER -42.29 -62.94 0.84 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.464 -1.021 . . . . 10.0 109.869 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -47.19 -24.82 0.77 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.375 -0.828 . . . . 10.0 110.229 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.465 HG22 HG23 ' B' ' 19' ' ' THR . 16.9 t -89.85 -34.23 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.157 -0.964 . . . . 10.0 110.546 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.596 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.5 OUTLIER -73.26 -44.09 59.95 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.184 -0.948 . . . . 10.0 108.876 179.525 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' B' ' 26' ' ' GLN . 19.0 t -63.75 -52.88 51.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.899 -0.5 . . . . 10.0 110.102 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.531 ' HB2' ' O ' ' B' ' 19' ' ' THR . 2.0 tp -55.39 -26.33 40.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.26 -0.9 . . . . 10.0 109.975 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.479 ' HB2' ' O ' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -66.61 -13.2 60.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.298 -0.876 . . . . 10.0 110.265 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.57 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -158.87 14.66 0.17 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.214 -0.929 . . . . 10.0 110.819 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.57 ' C ' ' O ' ' B' ' 25' ' ' GLN . 48.1 mt-30 25.71 56.19 0.38 Allowed Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.391 -0.818 . . . . 10.0 110.86 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.483 ' HD3' ' HG3' ' B' ' 25' ' ' GLN . 45.3 Cg_endo -71.1 119.65 6.45 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 O-C-N 124.026 1.54 . . . . 10.0 110.73 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -70.05 -1.17 8.27 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 123.921 1.485 . . . . 10.0 110.353 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.537 ' O ' ' C ' ' B' ' 30' ' ' LEU . 1.9 m-20 -100.39 27.77 5.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.406 -0.809 . . . . 10.0 110.224 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.537 ' C ' ' O ' ' B' ' 29' ' ' ASP . 2.2 tp -29.73 -61.55 0.15 Allowed 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.148 0.499 . . . . 10.0 110.333 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.5 HG12 ' HB3' ' A' ' 41' ' ' LEU . 17.3 t -41.25 -67.75 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.25 -0.907 . . . . 10.0 109.237 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.466 ' CG ' ' HD3' ' A' ' 42' ' ' ARG . 6.7 t0 -49.26 -48.5 45.77 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 109.218 -0.66 . . . . 10.0 109.218 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.473 ' HD1' ' C ' ' B' ' 33' ' ' PHE . 0.5 OUTLIER -49.63 -58.66 4.84 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.601 -0.889 . . . . 10.0 108.601 178.697 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.531 ' N ' ' OH ' ' B' ' 18' ' ' TYR . . . -40.67 -51.76 2.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.402 -0.811 . . . . 10.0 109.645 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.655 ' O ' ' HB ' ' B' ' 39' ' ' THR . 3.9 t -65.58 -56.42 15.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.135 -0.978 . . . . 10.0 109.679 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 35' ' ' VAL . 0.8 OUTLIER -39.67 -58.09 1.39 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.415 -0.803 . . . . 10.0 110.406 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.588 ' CE1' HD22 ' B' ' 41' ' ' LEU . 7.5 t80 -63.93 -76.84 0.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -0.889 . . . . 10.0 110.557 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' B' ' 41' ' ' LEU . 17.4 m-85 -42.0 -60.57 1.37 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.295 -0.878 . . . . 10.0 110.652 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.655 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 16.7 m -40.18 -48.44 2.55 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.075 -1.016 . . . . 10.0 109.779 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -39.41 69.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 10.0 109.385 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.588 HD22 ' CE1' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -69.52 -22.36 63.59 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.57 -0.706 . . . . 10.0 109.585 179.416 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.523 ' NH1' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -71.49 -29.31 64.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 10.0 109.431 179.512 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' B' ' 44' ' ' ALA . 26.0 mm-40 -70.88 -15.7 62.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.389 -0.819 . . . . 10.0 110.02 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.639 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -42.06 -79.44 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.293 -0.879 . . . . 10.0 110.33 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.639 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.8 OUTLIER 15.1 94.55 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.203 0.525 . . . . 10.0 110.736 -179.175 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.498 ' HB3' ' O ' ' B' ' 45' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 117.933 -1.032 . . . . 10.0 109.846 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.4 m80 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.231 0.539 . . . . 10.0 110.103 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.43 88.36 6.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.179 -0.951 . . . . 10.0 110.154 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -177.8 137.7 3.5 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.365 -1.494 . . . . 10.0 109.365 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.456 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 7.1 p-80 -154.93 34.3 0.39 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.199 -1.177 . . . . 10.0 110.344 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tt -116.63 -176.18 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.881 . . . . 10.0 110.254 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.579 ' O ' ' C ' ' A' ' 7' ' ' ILE . 7.9 mt-30 -116.65 -146.73 0.4 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.285 -0.884 . . . . 10.0 110.167 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.579 ' C ' ' O ' ' A' ' 6' ' ' GLN . 3.2 mm -24.59 137.48 0.06 OUTLIER Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.782 -0.574 . . . . 10.0 110.578 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.614 ' HB2' ' HB2' ' A' ' 11' ' ' LEU . 43.7 Cg_endo -69.35 174.84 8.57 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 O-C-N 123.971 1.511 . . . . 10.0 110.881 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.813 ' C ' ' H ' ' A' ' 11' ' ' LEU . 41.7 Cg_endo -66.81 -151.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.718 0 O-C-N 123.98 1.516 . . . . 10.0 110.953 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -53.72 15.57 0.01 OUTLIER Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.45 -1.46 . . . . 10.0 109.45 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.813 ' H ' ' C ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -35.79 -55.38 0.72 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.455 -1.027 . . . . 10.0 110.276 179.71 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 13' ' ' GLU . 24.5 m -68.34 -68.7 0.37 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.269 -0.895 . . . . 10.0 110.117 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.5 mt-10 -36.91 -46.81 0.66 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.587 -0.696 . . . . 10.0 110.344 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.524 HD21 HD23 ' A' ' 41' ' ' LEU . 34.4 mt -62.67 -56.38 18.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 10.0 110.095 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.523 HD13 ' CD2' ' B' ' 15' ' ' LEU . 0.1 OUTLIER -45.53 -71.52 0.07 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.314 -0.866 . . . . 10.0 110.163 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.52 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 3.2 mp0 -42.11 -46.02 4.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.898 . . . . 10.0 109.964 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -57.77 -46.18 92.59 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.467 -1.453 . . . . 10.0 109.467 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.648 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -72.47 -45.39 59.73 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.047 -1.266 . . . . 10.0 109.481 179.684 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.477 ' HA ' HG21 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -58.41 -30.86 67.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -0.906 . . . . 10.0 109.583 179.445 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 16' ' ' GLN . 76.4 t -72.48 -29.6 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 10.0 109.983 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.648 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.5 mt-10 -72.86 -27.65 62.04 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 119.481 -0.888 . . . . 10.0 109.205 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.477 HG21 ' HA ' ' A' ' 19' ' ' THR . 1.7 t -74.22 -35.03 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.719 -0.613 . . . . 10.0 109.894 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' A LEU . . . . . . . . . . . . . 80.9 mt -84.13 -18.13 37.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.881 . . . . 10.0 109.877 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -92.14 -66.54 0.92 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.403 -0.81 . . . . 10.0 110.18 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' OE1' ' CZ ' ' A' ' 33' ' ' PHE . 3.0 pt20 -81.07 -22.17 39.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 10.0 110.205 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER 41.09 81.88 0.24 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.361 -0.837 . . . . 10.0 110.016 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.605 ' HG3' ' CG ' ' A' ' 33' ' ' PHE . 44.0 Cg_endo -69.9 171.96 13.65 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 O-C-N 123.937 1.493 . . . . 10.0 110.619 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.403 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 43.1 Cg_endo -69.5 -45.09 1.87 Allowed 'Trans proline' 0 C--N 1.304 -1.803 0 O-C-N 124.107 1.582 . . . . 10.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.403 ' OD1' ' HB2' ' A' ' 28' ' ' PRO . 3.8 m-20 -128.77 124.45 35.52 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 10.0 110.019 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.566 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -69.99 -67.78 0.46 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.268 -0.895 . . . . 10.0 110.176 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.566 ' C ' ' O ' ' A' ' 30' ' ' LEU . 6.5 t -27.28 -61.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.751 . . . . 10.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.61 -47.44 83.78 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.522 -0.736 . . . . 10.0 109.93 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.605 ' CG ' ' HG3' ' A' ' 27' ' ' PRO . 69.4 t80 -60.29 -55.31 35.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.231 -0.918 . . . . 10.0 109.484 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 18' ' ' TYR . . . -55.4 -25.61 36.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.296 -0.878 . . . . 10.0 109.688 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.541 HG22 ' N ' ' B' ' 39' ' ' THR . 2.2 t -83.96 -46.64 18.09 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 O-C-N 121.319 -0.863 . . . . 10.0 109.692 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -58.63 -42.11 87.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -0.818 . . . . 10.0 109.804 179.673 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.495 ' O ' HD13 ' A' ' 41' ' ' LEU . 55.5 t80 -65.11 -67.75 0.41 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.881 . . . . 10.0 109.926 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.433 ' C ' ' CG2' ' B' ' 35' ' ' VAL . 7.2 m-85 -49.31 -47.13 47.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.261 -0.9 . . . . 10.0 110.206 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.529 ' N ' HG22 ' B' ' 35' ' ' VAL . 3.3 m -55.16 -38.99 68.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.189 -0.944 . . . . 10.0 110.059 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -65.79 -34.96 79.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.942 . . . . 10.0 109.993 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.524 HD23 HD21 ' A' ' 14' ' ' LEU . 9.9 mp -65.26 -42.16 93.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.298 -0.876 . . . . 10.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -66.98 -25.15 66.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 10.0 109.822 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 1.2 tp10 -95.59 -10.24 30.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.367 -0.833 . . . . 10.0 109.635 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.672 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -81.29 -74.29 0.34 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.412 -0.805 . . . . 10.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.672 ' C ' ' O ' ' A' ' 44' ' ' ALA . 13.2 tpp180 -8.35 88.45 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 121.438 0.637 . . . . 10.0 111.306 -178.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.5 ptt180 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 118.037 -0.982 . . . . 10.0 110.196 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 33.9 m80 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.143 0.497 . . . . 10.0 110.304 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.7 88.7 7.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.247 -0.908 . . . . 10.0 110.199 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.49 137.09 3.14 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.27 -1.532 . . . . 10.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.465 ' ND1' ' N ' ' B' ' 4' ' ' HIS . 6.5 p-80 -154.32 35.44 0.42 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.12 -1.224 . . . . 10.0 110.26 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tt -117.46 -176.02 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.245 -0.909 . . . . 10.0 110.235 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.586 ' O ' ' C ' ' B' ' 7' ' ' ILE . 7.4 mt-30 -116.94 -146.62 0.4 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -0.896 . . . . 10.0 110.173 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.586 ' C ' ' O ' ' B' ' 6' ' ' GLN . 3.1 mm -24.29 137.14 0.06 OUTLIER Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 121.831 -0.543 . . . . 10.0 110.663 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.62 ' HB2' ' HB2' ' B' ' 11' ' ' LEU . 44.0 Cg_endo -69.39 174.91 8.5 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 O-C-N 123.961 1.506 . . . . 10.0 110.867 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.815 ' C ' ' H ' ' B' ' 11' ' ' LEU . 41.9 Cg_endo -66.93 -151.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 O-C-N 124.028 1.541 . . . . 10.0 110.992 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' B' ' 11' ' ' LEU . . . -53.6 15.16 0.01 OUTLIER Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.433 -1.467 . . . . 10.0 109.433 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.815 ' H ' ' C ' ' B' ' 9' ' ' PRO . 0.3 OUTLIER -35.89 -55.12 0.75 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.483 -1.01 . . . . 10.0 110.195 179.677 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.48 ' O ' ' C ' ' B' ' 13' ' ' GLU . 24.8 m -68.76 -68.27 0.41 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.173 -0.955 . . . . 10.0 110.156 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.4 mt-10 -37.6 -47.24 0.92 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.546 -0.721 . . . . 10.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.519 HD21 HD23 ' B' ' 41' ' ' LEU . 35.7 mt -62.29 -56.48 18.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.325 -0.859 . . . . 10.0 110.1 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.523 ' CD2' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -45.13 -71.84 0.07 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 10.0 110.118 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.52 ' O ' ' CG2' ' B' ' 20' ' ' VAL . 3.1 mp0 -42.09 -45.86 4.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.295 -0.878 . . . . 10.0 109.998 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -57.58 -46.26 92.27 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.407 -1.477 . . . . 10.0 109.407 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.656 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.1 OUTLIER -72.25 -45.54 59.74 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.188 -1.183 . . . . 10.0 109.617 179.595 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.482 ' HA ' HG21 ' B' ' 22' ' ' VAL . 0.8 OUTLIER -58.42 -30.87 67.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.301 -0.874 . . . . 10.0 109.572 179.487 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' B' ' 16' ' ' GLN . 75.1 t -72.37 -29.81 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 10.0 109.916 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.656 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.5 mt-10 -72.6 -27.66 62.31 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.176 -0.953 . . . . 10.0 109.197 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.482 HG21 ' HA ' ' B' ' 19' ' ' THR . 1.7 t -74.12 -35.24 40.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.629 -0.669 . . . . 10.0 109.995 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' B LEU . . . . . . . . . . . . . 81.0 mt -83.99 -17.78 39.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.277 -0.889 . . . . 10.0 109.916 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -92.61 -66.56 0.92 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.33 -0.857 . . . . 10.0 110.123 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.9 pt20 -80.97 -22.08 39.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.869 . . . . 10.0 110.208 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.3 OUTLIER 40.81 82.03 0.23 Allowed Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.271 -0.893 . . . . 10.0 110.012 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.61 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 44.0 Cg_endo -69.9 172.02 13.54 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 O-C-N 124.066 1.561 . . . . 10.0 110.685 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.53 -44.57 2.15 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 O-C-N 124.07 1.563 . . . . 10.0 110.501 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.42 125.15 35.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.24 -0.913 . . . . 10.0 110.1 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.569 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.2 OUTLIER -70.45 -68.16 0.45 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.904 . . . . 10.0 110.199 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.569 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.3 t -26.95 -61.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.576 -0.702 . . . . 10.0 110.313 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.52 -47.71 82.73 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.637 -0.664 . . . . 10.0 109.939 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.61 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 69.5 t80 -60.07 -55.29 35.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.218 -0.926 . . . . 10.0 109.553 179.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.484 ' HB2' ' CZ ' ' B' ' 18' ' ' TYR . . . -55.46 -25.8 38.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.316 -0.865 . . . . 10.0 109.69 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.529 HG22 ' N ' ' A' ' 39' ' ' THR . 2.2 t -83.46 -46.82 18.42 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 O-C-N 121.431 -0.793 . . . . 10.0 109.584 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' B' ' 37' ' ' TYR . 0.5 OUTLIER -58.71 -42.36 88.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 10.0 109.896 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.493 ' O ' HD13 ' B' ' 41' ' ' LEU . 54.1 t80 -64.7 -68.08 0.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 10.0 109.966 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.407 ' C ' ' CG2' ' A' ' 35' ' ' VAL . 7.9 m-85 -49.26 -46.79 46.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.275 -0.891 . . . . 10.0 110.212 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.541 ' N ' HG22 ' A' ' 35' ' ' VAL . 3.3 m -55.22 -38.54 68.57 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 10.0 110.068 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.0 ttt-85 -66.5 -35.49 80.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.326 -0.859 . . . . 10.0 109.949 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.519 HD23 HD21 ' B' ' 14' ' ' LEU . 10.0 mp -64.61 -42.56 95.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.909 . . . . 10.0 110.124 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -66.65 -25.39 66.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.919 . . . . 10.0 109.863 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.476 ' N ' ' HG3' ' B' ' 42' ' ' ARG . 1.2 tp10 -95.28 -10.65 29.65 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.374 -0.828 . . . . 10.0 109.649 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.672 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -81.07 -74.07 0.34 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 10.0 110.465 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.672 ' C ' ' O ' ' B' ' 44' ' ' ALA . 13.2 tpp180 -8.52 89.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.393 0.616 . . . . 10.0 111.268 -178.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' B' ' 44' ' ' ALA . 4.4 ptt180 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.044 -0.979 . . . . 10.0 110.237 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.08 0.467 . . . . 10.0 110.137 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -131.14 114.04 14.64 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.082 -1.011 . . . . 10.0 110.154 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.79 -144.0 8.99 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.53 -1.428 . . . . 10.0 109.53 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.495 ' N ' ' ND1' ' A' ' 4' ' ' HIS . 11.8 p-80 -156.54 144.46 19.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.254 -1.145 . . . . 10.0 110.152 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 6' ' ' GLN . 1.3 tp -137.44 171.75 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 10.0 110.159 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.45 ' N ' HG22 ' A' ' 5' ' ' ILE . 2.0 tt0 -148.42 67.26 1.07 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.197 -0.939 . . . . 10.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.479 ' N ' ' CD1' ' A' ' 7' ' ' ILE . 1.2 mp -81.96 134.01 50.56 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.137 -0.977 . . . . 10.0 110.031 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HG2' ' HG ' ' A' ' 11' ' ' LEU . 45.1 Cg_endo -71.07 162.61 42.07 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 O-C-N 123.932 1.491 . . . . 10.0 110.728 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -74.24 160.47 42.27 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 O-C-N 124.083 1.57 . . . . 10.0 110.451 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.75 -36.3 3.28 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.581 -1.407 . . . . 10.0 109.581 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.578 ' N ' HD21 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -77.52 -36.87 52.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.225 -1.162 . . . . 10.0 110.04 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 16.3 m -41.93 -74.72 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.279 -0.888 . . . . 10.0 110.06 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.1 tt0 -35.45 -51.87 0.63 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.634 -0.666 . . . . 10.0 110.274 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.2 mt -67.25 -64.74 0.79 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.154 -0.966 . . . . 10.0 110.038 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 18' ' ' TYR . 22.5 mt -50.95 -57.21 9.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 10.0 110.032 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 12' ' ' THR . 2.7 tt0 -43.9 -57.44 3.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.185 -0.947 . . . . 10.0 109.763 179.73 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.532 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -48.28 -48.42 26.8 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 108.705 -1.758 . . . . 10.0 108.705 179.499 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.588 ' OH ' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -39.13 -61.13 0.8 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.498 -1.001 . . . . 10.0 110.129 179.457 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -50.87 -45.24 59.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.365 -0.834 . . . . 10.0 109.726 179.921 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 t -60.97 -27.4 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 10.0 110.304 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -87.4 -56.23 3.45 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.307 -0.871 . . . . 10.0 109.859 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 2.7 t -57.31 -20.22 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.692 -0.63 . . . . 10.0 110.468 -179.641 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 19' ' ' THR . 6.2 mp -85.78 -46.56 10.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.089 -1.007 . . . . 10.0 109.837 179.566 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -54.33 18.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.348 -0.845 . . . . 10.0 110.102 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 26' ' ' GLN . 9.4 mm-40 -77.93 -28.45 49.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 10.0 110.281 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 2.0 tt0 38.12 70.61 1.22 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.38 -0.825 . . . . 10.0 110.315 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.593 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 43.7 Cg_endo -69.68 164.5 34.22 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 O-C-N 124.044 1.549 . . . . 10.0 110.507 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.41 -38.9 7.89 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 O-C-N 123.994 1.523 . . . . 10.0 110.269 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -127.8 148.17 50.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.376 -0.828 . . . . 10.0 109.895 179.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -89.88 -56.18 3.34 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.23 -0.919 . . . . 10.0 110.149 -179.658 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 30' ' ' LEU . 16.7 t -34.56 -59.5 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.421 -0.8 . . . . 10.0 109.894 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -59.47 -48.59 81.05 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.785 -0.572 . . . . 10.0 110.144 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.593 ' CD1' ' HG3' ' A' ' 27' ' ' PRO . 66.2 t80 -55.89 -33.67 64.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.123 -0.986 . . . . 10.0 109.505 179.534 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.588 ' CB ' ' OH ' ' A' ' 18' ' ' TYR . . . -64.99 -50.38 66.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.39 -0.819 . . . . 10.0 109.789 179.641 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.862 ' O ' ' HB ' ' A' ' 39' ' ' THR . 40.2 t -62.31 -38.25 80.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.408 -0.807 . . . . 10.0 110.644 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -38.19 83.68 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.04 -1.038 . . . . 10.0 110.762 -179.453 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 77.2 t80 -73.05 -70.57 0.35 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.104 -0.998 . . . . 10.0 110.688 -179.534 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 17.7 m-85 -51.61 -61.42 2.26 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.278 -0.889 . . . . 10.0 110.666 -179.495 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.862 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 8.2 m -41.34 -59.65 1.49 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.11 -0.994 . . . . 10.0 109.816 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -54.15 -27.82 36.06 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.39 -0.819 . . . . 10.0 109.807 179.709 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -70.06 -53.69 16.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.277 -0.89 . . . . 10.0 109.711 179.747 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -57.44 -42.98 83.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.292 -0.88 . . . . 10.0 109.996 179.591 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.642 ' O ' ' C ' ' A' ' 44' ' ' ALA . 43.7 mm-40 -100.78 12.48 37.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.502 -0.749 . . . . 10.0 110.58 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.642 ' C ' ' O ' ' A' ' 43' ' ' GLU . . . -20.5 -65.76 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 121.756 0.789 . . . . 10.0 110.753 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -38.83 158.77 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.244 0.545 . . . . 10.0 110.545 -179.201 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 118.004 -0.998 . . . . 10.0 110.238 -179.867 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.148 0.499 . . . . 10.0 110.168 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -131.39 114.32 14.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.083 -1.01 . . . . 10.0 110.172 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.4 -143.15 8.3 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.553 -1.419 . . . . 10.0 109.553 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.479 ' N ' ' ND1' ' B' ' 4' ' ' HIS . 12.7 p-80 -157.5 144.4 18.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -1.142 . . . . 10.0 110.134 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.445 HG22 ' N ' ' B' ' 6' ' ' GLN . 1.3 tp -137.54 171.55 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.313 -0.867 . . . . 10.0 110.124 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.445 ' N ' HG22 ' B' ' 5' ' ' ILE . 2.0 tt0 -148.28 67.81 1.09 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.275 -0.891 . . . . 10.0 110.227 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.477 ' CD1' ' N ' ' B' ' 7' ' ' ILE . 1.2 mp -82.27 134.03 49.53 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.17 -0.956 . . . . 10.0 110.042 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.45 ' HG2' ' HG ' ' B' ' 11' ' ' LEU . 46.5 Cg_endo -70.96 162.52 42.4 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.044 1.549 . . . . 10.0 110.781 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -74.19 160.35 42.6 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 O-C-N 124.036 1.545 . . . . 10.0 110.46 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.76 -36.02 3.31 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.665 -1.374 . . . . 10.0 109.665 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.581 ' N ' HD21 ' B' ' 11' ' ' LEU . 0.7 OUTLIER -77.7 -37.08 50.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.131 -1.217 . . . . 10.0 110.057 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 16.3 m -41.41 -75.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.287 -0.883 . . . . 10.0 110.083 179.896 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' B' ' 12' ' ' THR . 14.0 tt0 -35.54 -51.79 0.64 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.585 -0.697 . . . . 10.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 9.2 mt -67.08 -64.6 0.82 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.257 -0.902 . . . . 10.0 110.039 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLN . 22.7 mt -51.29 -57.37 9.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.306 -0.871 . . . . 10.0 110.111 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.7 tt0 -43.68 -57.25 3.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.18 -0.95 . . . . 10.0 109.749 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -48.17 -49.07 25.45 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.769 -1.732 . . . . 10.0 108.769 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.568 ' OH ' ' CB ' ' B' ' 34' ' ' ALA . 0.4 OUTLIER -38.91 -60.98 0.79 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.487 -1.008 . . . . 10.0 110.139 179.572 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.577 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -50.77 -45.41 59.02 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.25 -0.906 . . . . 10.0 109.769 179.778 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 t -61.09 -27.04 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.281 -0.887 . . . . 10.0 110.315 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.9 OUTLIER -87.79 -55.67 3.67 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.269 -0.894 . . . . 10.0 109.812 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' B' ' 26' ' ' GLN . 2.8 t -57.71 -20.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.566 -0.709 . . . . 10.0 110.393 -179.592 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.577 ' HB2' ' O ' ' B' ' 19' ' ' THR . 6.0 mp -85.68 -46.78 10.41 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.19 -0.944 . . . . 10.0 109.842 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -54.54 17.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.869 . . . . 10.0 110.209 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' B' ' 26' ' ' GLN . 9.6 mm-40 -77.55 -28.54 51.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.899 . . . . 10.0 110.202 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 2.1 tt0 38.41 70.43 1.29 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.316 -0.865 . . . . 10.0 110.274 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.595 ' HG3' ' CD1' ' B' ' 33' ' ' PHE . 44.0 Cg_endo -69.73 164.46 34.42 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 O-C-N 124.063 1.56 . . . . 10.0 110.561 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.36 -39.53 7.16 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 O-C-N 124.097 1.577 . . . . 10.0 110.303 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -127.2 148.2 50.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.354 -0.841 . . . . 10.0 109.895 179.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -89.66 -56.23 3.33 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.185 -0.947 . . . . 10.0 110.237 -179.657 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' B' ' 30' ' ' LEU . 17.4 t -34.67 -59.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-O 121.808 0.813 . . . . 10.0 109.828 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.406 ' HA ' HH11 ' A' ' 42' ' ' ARG . 3.7 t0 -59.52 -48.42 81.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.734 -0.604 . . . . 10.0 110.161 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.595 ' CD1' ' HG3' ' B' ' 27' ' ' PRO . 67.3 t80 -56.15 -33.77 65.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.125 -0.984 . . . . 10.0 109.621 179.527 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.568 ' CB ' ' OH ' ' B' ' 18' ' ' TYR . . . -65.04 -50.35 66.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.406 -0.809 . . . . 10.0 109.853 179.699 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.862 ' O ' ' HB ' ' B' ' 39' ' ' THR . 42.8 t -62.59 -37.47 79.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.394 -0.816 . . . . 10.0 110.579 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -38.23 81.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.084 -1.01 . . . . 10.0 110.725 -179.569 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.465 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 76.1 t80 -72.93 -70.79 0.34 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.052 -1.03 . . . . 10.0 110.635 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 18.5 m-85 -51.22 -61.53 2.18 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.238 -0.914 . . . . 10.0 110.688 -179.527 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.862 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 9.0 m -40.98 -60.03 1.3 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.04 -1.038 . . . . 10.0 109.794 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -53.9 -28.29 35.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -0.842 . . . . 10.0 109.827 179.703 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 0.5 OUTLIER -69.43 -54.14 15.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 10.0 109.869 179.595 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.566 ' CB ' ' CZ ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -57.08 -44.06 82.75 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.227 -0.921 . . . . 10.0 109.848 179.629 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.624 ' O ' ' C ' ' B' ' 44' ' ' ALA . 42.9 mm-40 -99.01 12.99 34.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.523 -0.736 . . . . 10.0 110.305 -179.623 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.624 ' C ' ' O ' ' B' ' 43' ' ' GLU . . . -20.66 -62.35 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.644 0.735 . . . . 10.0 111.092 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.491 ' O ' ' O ' ' B' ' 44' ' ' ALA . 0.6 OUTLIER -41.23 166.24 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.896 -0.722 . . . . 10.0 110.553 -178.624 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.996 -1.002 . . . . 10.0 110.25 179.598 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.1 m170 . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.266 0.555 . . . . 10.0 110.198 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -126.34 131.93 51.7 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.267 -0.895 . . . . 10.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.39 -159.65 28.08 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.665 -1.374 . . . . 10.0 109.665 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.25 172.23 13.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.233 -1.157 . . . . 10.0 110.209 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.9 mm -134.21 87.17 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.133 -0.979 . . . . 10.0 110.631 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.637 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -102.69 -160.12 0.76 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.292 -0.88 . . . . 10.0 109.757 179.508 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.819 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 1.5 pp -124.49 24.98 0.12 Allowed Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 120.921 -1.112 . . . . 10.0 112.153 -179.757 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.819 ' CD ' ' N ' ' A' ' 7' ' ' ILE . 51.5 Cg_endo -73.37 117.43 5.08 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.402 1.211 . . . . 10.0 110.017 178.79 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.759 ' HG2' ' HG ' ' B' ' 30' ' ' LEU . 50.1 Cg_endo -73.97 110.73 3.14 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 O-C-N 123.733 1.386 . . . . 10.0 110.789 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.546 ' O ' ' HB2' ' A' ' 14' ' ' LEU . . . 43.06 16.19 0.03 OUTLIER Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.629 -1.388 . . . . 10.0 109.629 -179.779 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.594 ' N ' ' O ' ' A' ' 9' ' ' PRO . 11.0 tp -73.2 -51.87 16.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.079 -1.247 . . . . 10.0 110.451 -179.698 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 24.1 m -47.75 -79.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.157 -0.965 . . . . 10.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.81 -69.29 0.14 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.22 -0.925 . . . . 10.0 110.669 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 10' ' ' GLY . 86.9 mt -45.48 -65.54 0.52 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.195 -0.941 . . . . 10.0 110.364 -179.683 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.527 ' CD1' HD12 ' B' ' 15' ' ' LEU . 4.0 tp -57.91 -72.91 0.08 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.189 -0.944 . . . . 10.0 110.558 -179.618 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -39.66 -31.25 0.09 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 10.0 110.242 -179.864 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.539 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -82.0 -47.04 6.37 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.607 -1.397 . . . . 10.0 109.607 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.633 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -73.39 -36.21 66.0 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.047 -1.267 . . . . 10.0 109.77 179.855 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.449 ' HA ' HD21 ' B' ' 11' ' ' LEU . 22.4 m -62.34 -40.46 96.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 10.0 109.922 179.683 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.524 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 3.5 t -65.48 -33.7 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.327 -0.858 . . . . 10.0 110.112 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.633 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.3 mt-10 -65.72 -50.53 64.51 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.129 -0.982 . . . . 10.0 108.996 179.539 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.558 HG12 ' HG ' ' A' ' 30' ' ' LEU . 4.7 t -51.28 -46.95 34.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.383 0.611 . . . . 10.0 110.068 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.563 ' HA ' ' CD1' ' B' ' 7' ' ' ILE . 3.8 tp -73.83 -11.79 60.48 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.366 -0.834 . . . . 10.0 110.377 -179.864 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -98.03 12.08 35.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.195 -0.941 . . . . 10.0 110.607 -179.821 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.68 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.8 OUTLIER -172.3 27.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.999 -1.063 . . . . 10.0 110.797 179.822 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.68 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.4 tt0 8.03 78.82 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.629 -0.669 . . . . 10.0 111.183 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.5 ' HG2' ' HB2' ' A' ' 30' ' ' LEU . 43.3 Cg_endo -69.87 132.26 22.8 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 O-C-N 123.985 1.519 . . . . 10.0 110.64 -179.802 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.99 -33.59 19.15 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 O-C-N 123.955 1.503 . . . . 10.0 110.293 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' ' C ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -107.31 26.32 10.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.262 -0.899 . . . . 10.0 109.702 179.786 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.776 ' HG ' ' HG2' ' B' ' 9' ' ' PRO . 0.7 OUTLIER -31.17 -61.71 0.19 Allowed 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.534 -179.633 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.519 ' C ' ' O ' ' A' ' 30' ' ' LEU . 13.3 t -34.33 -60.41 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.479 -0.763 . . . . 10.0 109.669 179.631 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.474 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 3.1 t0 -59.1 -45.03 91.9 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.735 -0.603 . . . . 10.0 109.904 179.65 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' LEU . 17.5 t80 -61.56 -48.51 80.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.157 -0.964 . . . . 10.0 109.416 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.66 -28.18 31.68 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.394 -0.816 . . . . 10.0 109.535 179.391 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.563 HG23 ' OG1' ' B' ' 39' ' ' THR . 3.4 t -77.82 -54.89 11.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 O-C-N 121.344 -0.847 . . . . 10.0 109.573 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.0 mt-10 -53.01 -36.06 60.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.398 -0.814 . . . . 10.0 109.787 179.493 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 18' ' ' TYR . 9.0 t80 -59.69 -63.53 1.27 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.862 . . . . 10.0 109.994 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 22.8 m-85 -69.01 -53.54 20.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 10.0 110.06 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.551 ' OG1' HG23 ' B' ' 35' ' ' VAL . 4.4 m -43.56 -31.0 0.65 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.15 -0.969 . . . . 10.0 109.633 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 11.4 mtt180 -74.23 -41.35 61.47 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.374 -0.829 . . . . 10.0 110.002 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.424 ' HB3' HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -52.45 -29.12 23.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 10.0 110.07 179.756 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HG2' HG12 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -58.01 -35.84 71.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -0.858 . . . . 10.0 110.27 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -34.28 71.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.919 . . . . 10.0 110.002 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -68.28 -69.95 0.29 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 10.0 110.35 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 44' ' ' ALA . 14.4 mmt180 -35.84 155.8 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.267 0.556 . . . . 10.0 110.761 -178.686 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 45' ' ' ARG . 5.4 mpt_? . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 117.956 -1.021 . . . . 10.0 110.181 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 9.3 m170 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.25 0.548 . . . . 10.0 110.195 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -126.16 132.63 51.78 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.279 -0.888 . . . . 10.0 110.175 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.85 -160.13 28.17 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.547 -1.421 . . . . 10.0 109.547 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.64 171.45 14.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -1.166 . . . . 10.0 110.09 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 29.7 mm -133.4 87.18 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.296 -0.878 . . . . 10.0 110.551 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.638 ' HB3' ' HD3' ' B' ' 8' ' ' PRO . 0.0 OUTLIER -102.52 -159.71 0.74 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.178 -0.952 . . . . 10.0 109.638 179.445 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.826 ' N ' ' CD ' ' B' ' 8' ' ' PRO . 1.5 pp -124.82 24.38 0.11 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.891 -1.13 . . . . 10.0 112.06 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.826 ' CD ' ' N ' ' B' ' 7' ' ' ILE . 51.4 Cg_endo -72.83 117.28 5.06 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 O-C-N 123.405 1.213 . . . . 10.0 110.142 178.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.776 ' HG2' ' HG ' ' A' ' 30' ' ' LEU . 48.2 Cg_endo -73.82 110.66 3.12 Favored 'Trans proline' 0 C--N 1.302 -1.883 0 O-C-N 123.762 1.401 . . . . 10.0 110.789 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.545 ' O ' ' HB2' ' B' ' 14' ' ' LEU . . . 43.07 16.23 0.03 OUTLIER Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.555 -1.418 . . . . 10.0 109.555 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' B' ' 9' ' ' PRO . 10.9 tp -73.14 -52.52 13.88 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.113 -1.227 . . . . 10.0 110.409 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 25.1 m -47.13 -79.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.136 -0.977 . . . . 10.0 110.405 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -69.63 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.918 . . . . 10.0 110.562 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' B' ' 10' ' ' GLY . 87.0 mt -45.07 -65.51 0.52 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.213 -0.93 . . . . 10.0 110.415 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.527 HD12 ' CD1' ' A' ' 15' ' ' LEU . 3.9 tp -58.06 -72.94 0.08 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.229 -0.919 . . . . 10.0 110.483 -179.623 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.494 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -39.59 -31.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.153 -0.967 . . . . 10.0 110.261 -179.831 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -81.99 -46.91 6.44 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.677 -1.369 . . . . 10.0 109.677 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.642 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.1 OUTLIER -73.59 -36.23 65.51 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.123 -1.222 . . . . 10.0 109.691 179.83 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.427 ' HA ' HD21 ' A' ' 11' ' ' LEU . 22.0 m -62.17 -40.27 95.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.829 . . . . 10.0 109.965 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.531 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 3.4 t -65.79 -33.59 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.304 -0.872 . . . . 10.0 110.083 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.642 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.3 mt-10 -65.73 -50.46 64.71 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.11 -0.994 . . . . 10.0 109.047 179.559 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.555 HG12 ' HG ' ' B' ' 30' ' ' LEU . 4.6 t -51.06 -47.82 30.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 CA-C-O 121.361 0.601 . . . . 10.0 110.119 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 7' ' ' ILE . 3.8 tp -73.13 -12.65 60.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.379 -0.826 . . . . 10.0 110.334 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 1.1 tpt180 -97.08 11.91 34.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.164 -0.96 . . . . 10.0 110.64 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.678 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.7 OUTLIER -172.16 27.05 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.114 -0.991 . . . . 10.0 110.69 179.799 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.678 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.5 tt0 8.18 78.79 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.542 -0.724 . . . . 10.0 111.215 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.498 ' HG2' ' HB2' ' B' ' 30' ' ' LEU . 43.1 Cg_endo -69.98 131.96 22.0 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 O-C-N 123.96 1.505 . . . . 10.0 110.511 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.08 -33.82 18.28 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 123.993 1.523 . . . . 10.0 110.244 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.7 OUTLIER -106.85 26.3 10.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.309 -0.87 . . . . 10.0 109.7 179.693 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.759 ' HG ' ' HG2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -31.18 -61.63 0.19 Allowed 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.458 -179.624 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.516 ' C ' ' O ' ' B' ' 30' ' ' LEU . 14.2 t -34.59 -60.55 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 CA-C-O 121.762 0.791 . . . . 10.0 109.603 179.764 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.472 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 2.7 t0 -58.76 -44.97 90.74 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.717 -0.614 . . . . 10.0 109.915 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' B' ' 30' ' ' LEU . 17.6 t80 -61.59 -48.23 81.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.149 -0.969 . . . . 10.0 109.386 179.293 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.01 -28.12 36.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.355 -0.841 . . . . 10.0 109.558 179.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.551 HG23 ' OG1' ' A' ' 39' ' ' THR . 3.2 t -77.69 -54.45 12.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 O-C-N 121.427 -0.795 . . . . 10.0 109.501 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' B' ' 40' ' ' ARG . 3.1 mt-10 -53.6 -36.64 62.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.267 -0.895 . . . . 10.0 109.801 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' B' ' 18' ' ' TYR . 9.1 t80 -59.0 -63.16 1.4 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.346 -0.846 . . . . 10.0 110.006 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' B' ' 14' ' ' LEU . 22.9 m-85 -69.3 -53.35 20.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 10.0 110.056 179.863 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.563 ' OG1' HG23 ' A' ' 35' ' ' VAL . 4.5 m -43.77 -30.47 0.66 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.102 -0.999 . . . . 10.0 109.722 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' B' ' 36' ' ' GLU . 10.9 mtt180 -74.7 -41.7 59.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.408 -0.807 . . . . 10.0 109.897 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.502 ' HB3' HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -52.41 -29.44 24.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 10.0 109.968 179.871 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.468 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -57.66 -36.07 71.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 10.0 110.194 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -33.87 70.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.196 -0.94 . . . . 10.0 110.063 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -68.47 -69.69 0.31 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.337 -0.852 . . . . 10.0 110.439 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' B' ' 44' ' ' ALA . 14.8 mmt180 -36.08 155.95 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.288 0.566 . . . . 10.0 110.692 -178.681 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' B' ' 45' ' ' ARG . 5.4 mpt_? . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.947 -1.025 . . . . 10.0 110.188 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 2' ' ' MET . 23.1 p80 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.261 0.553 . . . . 10.0 110.225 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 1' ' ' HIS . 0.0 OUTLIER -41.99 -76.71 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 10.0 110.271 -179.948 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.18 -96.42 0.1 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.556 -1.418 . . . . 10.0 109.556 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -111.53 30.07 7.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.279 -1.13 . . . . 10.0 110.218 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mm -113.68 141.74 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.168 -0.958 . . . . 10.0 110.118 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.95 148.24 47.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 10.0 110.243 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.8 mm -91.69 114.39 61.77 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.21 -0.931 . . . . 10.0 110.182 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.533 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 46.5 Cg_endo -71.6 128.71 14.69 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 O-C-N 123.953 1.501 . . . . 10.0 110.624 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -74.13 131.35 15.28 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 O-C-N 123.974 1.513 . . . . 10.0 110.643 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.92 -21.01 12.41 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.76 -1.336 . . . . 10.0 109.76 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' B' ' 30' ' ' LEU . 2.1 mp -77.2 -71.31 0.41 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.169 -1.195 . . . . 10.0 110.127 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.477 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 1.3 m -40.62 -68.44 0.18 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.32 -0.862 . . . . 10.0 110.069 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -40.91 -55.65 2.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.469 -0.77 . . . . 10.0 110.387 179.909 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.6 tp -60.07 -60.74 3.35 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.186 -0.946 . . . . 10.0 110.449 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.502 ' CD1' ' OG1' ' B' ' 19' ' ' THR . 73.0 mt -54.14 -68.16 0.2 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.258 -0.901 . . . . 10.0 110.386 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -39.39 -44.54 1.35 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.207 -0.933 . . . . 10.0 110.048 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.464 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -47.08 -47.64 20.21 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 108.958 -1.657 . . . . 10.0 108.958 179.604 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.837 ' C ' ' CD1' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -73.71 -47.49 39.09 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.138 -1.213 . . . . 10.0 109.0 179.348 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.547 ' OG1' ' CD1' ' B' ' 15' ' ' LEU . 8.5 m -50.52 -33.01 19.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.788 -1.195 . . . . 10.0 110.527 179.032 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 16' ' ' GLN . 65.4 t -74.69 -34.91 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.134 -0.979 . . . . 10.0 110.841 -179.454 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.74 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -66.52 -53.74 31.56 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.084 -1.01 . . . . 10.0 109.361 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.503 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 6.1 t -48.36 -45.98 13.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.793 -0.567 . . . . 10.0 110.17 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.453 HD11 ' HD3' ' B' ' 8' ' ' PRO . 14.2 mt -60.28 -29.64 68.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.228 -0.92 . . . . 10.0 109.826 179.652 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.71 24.4 1.47 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.263 -0.898 . . . . 10.0 110.573 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.41 ' CG ' ' N ' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -167.26 -37.24 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.157 -0.964 . . . . 10.0 110.128 179.595 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 22' ' ' VAL . 2.0 tm0? 57.01 80.58 0.28 Allowed Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.451 -0.781 . . . . 10.0 110.212 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.0 169.33 19.49 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 O-C-N 124.015 1.534 . . . . 10.0 110.532 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 43.2 Cg_endo -69.4 -8.02 22.5 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 124.067 1.562 . . . . 10.0 110.482 179.843 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.473 ' OD1' ' HG2' ' A' ' 28' ' ' PRO . 0.5 OUTLIER -171.87 130.07 0.65 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.277 -0.89 . . . . 10.0 110.055 179.958 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.576 ' O ' ' C ' ' A' ' 31' ' ' VAL . 19.3 tp -78.12 -55.99 4.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.197 -0.939 . . . . 10.0 110.566 -179.704 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.576 ' C ' ' O ' ' A' ' 30' ' ' LEU . 23.4 t -29.52 -67.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 CA-C-O 121.662 0.744 . . . . 10.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.22 -42.8 63.87 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.649 -0.657 . . . . 10.0 110.088 179.714 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 4.0 t80 -62.89 -47.64 82.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.081 -1.012 . . . . 10.0 109.478 179.338 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.03 -32.49 47.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.356 -0.84 . . . . 10.0 109.701 179.385 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.591 HG21 ' CA ' ' B' ' 39' ' ' THR . 2.8 t -87.88 -54.48 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 121.267 -0.895 . . . . 10.0 110.208 -179.77 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -38.13 55.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.282 -0.886 . . . . 10.0 110.237 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.494 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 85.3 t80 -71.68 -55.48 7.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 10.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 8.2 m-85 -68.86 -53.25 22.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.139 -0.976 . . . . 10.0 110.314 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.584 ' CA ' HG21 ' B' ' 35' ' ' VAL . 17.9 m -45.43 -43.49 11.37 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.06 -1.025 . . . . 10.0 109.884 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -41.59 89.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.275 -0.891 . . . . 10.0 109.877 179.633 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 9.4 mt -56.37 -37.21 69.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.949 . . . . 10.0 109.721 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HG2' ' CG1' ' B' ' 31' ' ' VAL . 9.3 mmm180 -72.06 -27.81 62.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.284 -0.885 . . . . 10.0 109.801 179.626 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.483 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 1.3 tp10 -98.11 -2.46 40.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.42 -0.8 . . . . 10.0 109.757 179.812 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.573 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -37.18 -66.3 0.25 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.312 -0.868 . . . . 10.0 110.508 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.573 ' C ' ' O ' ' A' ' 44' ' ' ALA . 1.6 tpp85 -26.76 125.22 0.07 Allowed 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.31 0.576 . . . . 10.0 110.683 -178.776 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.452 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 117.908 -1.044 . . . . 10.0 110.163 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' B' ' 2' ' ' MET . 22.6 p80 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.247 0.546 . . . . 10.0 110.199 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' MET . . . . . 0.412 ' C ' ' O ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER -42.08 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 10.0 110.275 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.56 -96.84 0.1 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.554 -1.418 . . . . 10.0 109.554 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -110.99 29.82 7.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.323 -1.104 . . . . 10.0 110.253 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mm -113.64 142.49 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.298 -0.876 . . . . 10.0 110.141 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.64 148.37 47.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -0.856 . . . . 10.0 110.235 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 11.3 mm -91.7 114.8 63.07 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 10.0 110.138 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.537 ' HB2' ' CD1' ' B' ' 11' ' ' LEU . 49.9 Cg_endo -72.07 128.63 14.16 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 123.971 1.511 . . . . 10.0 110.545 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -74.15 130.97 14.78 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 124.013 1.533 . . . . 10.0 110.76 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.98 -20.51 15.42 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.67 -1.372 . . . . 10.0 109.67 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.537 ' CD1' ' HB2' ' B' ' 8' ' ' PRO . 2.2 mp -77.58 -71.44 0.41 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -1.181 . . . . 10.0 110.24 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 1.3 m -40.21 -68.3 0.18 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.405 -0.81 . . . . 10.0 110.167 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -41.05 -55.86 2.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.467 -0.771 . . . . 10.0 110.303 179.899 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.475 ' CD2' HD23 ' A' ' 30' ' ' LEU . 55.7 tp -59.67 -60.88 3.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.289 -0.882 . . . . 10.0 110.445 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.547 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 73.2 mt -54.02 -68.38 0.18 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.243 -0.911 . . . . 10.0 110.411 -179.863 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.9 OUTLIER -39.2 -44.69 1.25 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.254 -0.904 . . . . 10.0 110.058 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -46.95 -47.34 19.68 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.951 -1.66 . . . . 10.0 108.951 179.562 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.837 ' C ' ' CD1' ' B' ' 18' ' ' TYR . 0.0 OUTLIER -74.09 -47.97 32.84 Favored 'General case' 0 C--N 1.308 -1.232 0 O-C-N 121.132 -1.217 . . . . 10.0 108.978 179.411 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.502 ' OG1' ' CD1' ' A' ' 15' ' ' LEU . 8.8 m -50.24 -32.76 17.51 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.819 -1.175 . . . . 10.0 110.519 178.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 16' ' ' GLN . 61.5 t -75.02 -34.49 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.163 -0.961 . . . . 10.0 110.887 -179.498 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.741 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.7 OUTLIER -66.97 -53.7 29.04 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.098 -1.002 . . . . 10.0 109.214 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.501 HG23 ' CZ ' ' B' ' 33' ' ' PHE . 6.5 t -48.28 -46.26 13.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.766 -0.583 . . . . 10.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 23' B LEU . . . . . . . . . . . . . 14.2 mt -60.08 -29.34 68.5 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.195 -0.941 . . . . 10.0 109.89 179.648 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.78 23.97 1.58 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 10.0 110.516 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' B' ' 26' ' ' GLN . 0.5 OUTLIER -166.98 -37.01 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.221 -0.925 . . . . 10.0 110.211 179.676 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' B' ' 22' ' ' VAL . 2.0 tm0? 57.07 80.72 0.28 Allowed Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.403 -0.811 . . . . 10.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -70.06 169.02 20.28 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 O-C-N 124.072 1.564 . . . . 10.0 110.543 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.474 ' HG2' ' OD1' ' B' ' 29' ' ' ASP . 42.4 Cg_endo -69.48 -7.4 20.87 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 123.956 1.503 . . . . 10.0 110.387 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.474 ' OD1' ' HG2' ' B' ' 28' ' ' PRO . 0.5 OUTLIER -172.27 130.73 0.6 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.237 -0.914 . . . . 10.0 109.918 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.584 ' O ' ' C ' ' B' ' 31' ' ' VAL . 17.0 tp -79.05 -56.29 4.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.883 . . . . 10.0 110.612 -179.705 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.584 ' C ' ' O ' ' B' ' 30' ' ' LEU . 25.0 t -29.19 -67.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.473 -0.767 . . . . 10.0 110.293 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.47 -43.1 64.78 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.596 -0.69 . . . . 10.0 110.109 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' B' ' 33' ' ' PHE . 4.0 t80 -62.66 -47.42 83.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.119 -0.988 . . . . 10.0 109.574 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.97 -32.86 48.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -0.864 . . . . 10.0 109.796 179.285 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.584 HG21 ' CA ' ' A' ' 39' ' ' THR . 2.8 t -87.85 -54.22 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.23 -0.919 . . . . 10.0 110.162 -179.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -38.74 57.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.22 -0.925 . . . . 10.0 110.111 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.484 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 84.7 t80 -71.12 -55.79 7.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.173 -0.955 . . . . 10.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 8.5 m-85 -68.62 -52.71 28.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.262 -0.899 . . . . 10.0 110.416 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.591 ' CA ' HG21 ' A' ' 35' ' ' VAL . 16.8 m -45.88 -43.5 13.69 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.158 -0.964 . . . . 10.0 109.856 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -41.93 88.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.253 -0.905 . . . . 10.0 109.794 179.556 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 9.4 mt -56.19 -37.57 69.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.223 -0.923 . . . . 10.0 109.798 179.61 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.46 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 9.3 mmm180 -71.73 -27.89 63.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.251 -0.906 . . . . 10.0 109.902 179.685 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.487 ' OE2' ' O ' ' B' ' 43' ' ' GLU . 1.4 tp10 -98.29 -2.19 40.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.335 -0.853 . . . . 10.0 109.832 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.577 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -37.3 -66.07 0.26 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.386 -0.822 . . . . 10.0 110.619 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' B' ' 44' ' ' ALA . 1.6 tpp85 -27.03 125.44 0.07 Allowed 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 121.276 0.56 . . . . 10.0 110.74 -178.88 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' B' ' 46' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 118.003 -0.998 . . . . 10.0 110.133 -179.872 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.282 0.563 . . . . 10.0 110.368 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -112.68 74.55 0.87 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.176 -0.952 . . . . 10.0 110.03 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' MET . . . 43.6 -148.96 0.77 Allowed Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.637 -1.385 . . . . 10.0 109.637 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.469 ' O ' HD11 ' A' ' 5' ' ' ILE . 4.0 m-70 -107.08 134.9 49.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.22 -1.165 . . . . 10.0 110.204 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.522 ' CG2' ' N ' ' A' ' 6' ' ' GLN . 0.7 OUTLIER -151.87 169.26 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.907 . . . . 10.0 110.005 179.891 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.522 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 1.3 mt-30 -130.35 112.3 13.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.27 -0.894 . . . . 10.0 110.238 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.487 ' N ' ' CD1' ' A' ' 7' ' ' ILE . 1.2 mp -55.2 123.71 49.97 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.206 -0.934 . . . . 10.0 110.114 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.21 160.63 48.39 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.88 1.463 . . . . 10.0 110.756 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.06 178.99 5.82 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 O-C-N 124.042 1.548 . . . . 10.0 110.285 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.14 -43.2 2.96 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.325 -1.51 . . . . 10.0 109.325 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' C ' HD12 ' A' ' 11' ' ' LEU . 2.4 tm? -71.37 -52.97 15.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.293 -1.122 . . . . 10.0 109.97 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.514 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 63.3 m -44.65 -50.21 9.95 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.244 -0.91 . . . . 10.0 110.046 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.6 tp10 -39.31 -59.66 1.02 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.435 -0.79 . . . . 10.0 110.315 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -56.14 -61.77 2.16 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.344 -0.848 . . . . 10.0 110.195 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.559 ' HG ' ' HG ' ' B' ' 15' ' ' LEU . 6.9 mp -54.77 -58.75 6.33 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.256 -0.902 . . . . 10.0 110.307 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -40.35 -53.13 2.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.183 -0.948 . . . . 10.0 109.64 179.746 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -40.9 -55.16 3.44 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.727 -1.749 . . . . 10.0 108.727 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.585 ' OH ' ' N ' ' A' ' 34' ' ' ALA . 1.2 t80 -46.41 -65.58 0.53 Allowed 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.256 -1.144 . . . . 10.0 110.046 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.524 ' O ' ' HB2' ' A' ' 23' A LEU . 1.2 m -42.72 -37.61 1.8 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 10.0 110.093 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 16' ' ' GLN . 43.9 t -70.98 -25.62 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.337 -0.852 . . . . 10.0 110.224 -179.834 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.561 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -88.77 -56.03 3.46 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.136 -0.978 . . . . 10.0 109.405 179.72 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.518 HG12 ' CG ' ' A' ' 27' ' ' PRO . 11.9 t -50.61 -22.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.603 -0.686 . . . . 10.0 110.046 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' A LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 19' ' ' THR . 4.0 mp -90.07 -37.14 14.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.367 -0.833 . . . . 10.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.484 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -76.16 5.76 6.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 10.0 110.993 -179.415 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.642 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.4 pt20 -162.35 16.05 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.926 -1.109 . . . . 10.0 110.987 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.642 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 17.95 77.16 0.15 Allowed Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.408 -0.808 . . . . 10.0 110.803 179.886 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.518 ' CG ' HG12 ' A' ' 22' ' ' VAL . 43.3 Cg_endo -69.41 168.73 20.27 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 123.984 1.518 . . . . 10.0 110.728 -179.563 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.18 -51.75 0.41 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 O-C-N 124.042 1.548 . . . . 10.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -151.26 144.61 24.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.266 -0.896 . . . . 10.0 110.105 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.601 ' N ' HD11 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -70.21 -50.06 43.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 10.0 109.468 179.8 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.673 HG11 ' CZ ' ' B' ' 42' ' ' ARG . 72.4 t -23.35 -72.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 121.658 0.742 . . . . 10.0 110.771 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -60.51 -58.52 8.15 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.515 -0.741 . . . . 10.0 109.585 179.664 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -43.52 -62.9 0.94 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 10.0 108.925 178.908 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 38' ' ' PHE . . . -40.4 -45.24 2.14 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.499 -0.751 . . . . 10.0 110.14 179.551 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.721 ' O ' ' HB ' ' A' ' 39' ' ' THR . 3.9 t -78.44 -50.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.188 -0.945 . . . . 10.0 110.662 -179.619 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.55 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -58.64 -46.67 86.6 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.196 -0.94 . . . . 10.0 110.609 -179.427 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.55 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 4.1 t80 -68.7 -57.87 5.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.07 . . . . 10.0 110.247 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.728 ' O ' ' NE ' ' A' ' 42' ' ' ARG . 10.5 m-85 -56.28 -70.05 0.13 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.287 -0.883 . . . . 10.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.721 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 1.8 m -39.07 -29.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.067 -1.02 . . . . 10.0 109.952 179.786 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -77.27 -35.8 54.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.283 -0.885 . . . . 10.0 109.948 179.495 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.714 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -57.97 -61.09 2.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 10.0 109.917 179.751 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.735 ' NE ' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -37.32 -40.08 0.32 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.393 -0.817 . . . . 10.0 110.014 -179.647 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.492 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 2.0 mt-10 -86.51 14.39 6.88 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.328 -0.858 . . . . 10.0 110.091 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.706 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . -43.94 -63.9 0.77 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.444 -0.785 . . . . 10.0 110.547 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.742 ' HD3' ' N ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -25.89 91.26 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 121.993 0.901 . . . . 10.0 111.044 -178.598 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.6 tpt180 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 120.933 -1.104 . . . . 10.0 110.242 -179.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.208 0.528 . . . . 10.0 110.332 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' MET . . . . . 0.433 ' O ' ' C ' ' B' ' 3' ' ' GLY . 0.0 OUTLIER -113.39 74.62 0.87 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.252 -0.905 . . . . 10.0 110.136 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' B' ' 2' ' ' MET . . . 43.73 -149.01 0.8 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.467 -1.453 . . . . 10.0 109.467 -179.872 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.471 ' O ' HD11 ' B' ' 5' ' ' ILE . 4.2 m-70 -107.28 135.1 49.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.284 -1.127 . . . . 10.0 110.175 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.527 ' CG2' ' N ' ' B' ' 6' ' ' GLN . 0.7 OUTLIER -151.99 169.51 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 10.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.527 ' N ' ' CG2' ' B' ' 5' ' ' ILE . 1.3 mt-30 -130.63 112.85 13.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -0.877 . . . . 10.0 110.247 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.491 ' CD1' ' N ' ' B' ' 7' ' ' ILE . 1.2 mp -55.68 123.71 52.91 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.139 -0.975 . . . . 10.0 110.058 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -71.33 160.71 47.96 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 O-C-N 123.979 1.515 . . . . 10.0 110.687 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.14 179.01 5.83 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 123.965 1.508 . . . . 10.0 110.266 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.19 -43.24 2.98 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.327 -1.509 . . . . 10.0 109.327 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.453 ' C ' HD12 ' B' ' 11' ' ' LEU . 2.4 tm? -71.5 -52.99 15.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.243 -1.151 . . . . 10.0 109.838 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.514 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 63.2 m -44.68 -50.12 10.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 10.0 109.959 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.6 tp10 -39.43 -59.77 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.452 -0.78 . . . . 10.0 110.354 179.849 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -56.15 -61.57 2.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.312 -0.868 . . . . 10.0 110.249 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.559 ' HG ' ' HG ' ' A' ' 15' ' ' LEU . 6.7 mp -54.76 -58.83 5.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.234 -0.917 . . . . 10.0 110.338 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -40.5 -52.85 2.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.177 -0.952 . . . . 10.0 109.618 179.694 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -41.0 -54.91 3.55 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.72 -1.752 . . . . 10.0 108.72 179.416 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.587 ' OH ' ' N ' ' B' ' 34' ' ' ALA . 1.1 t80 -46.59 -65.58 0.54 Allowed 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.275 -1.132 . . . . 10.0 110.18 179.331 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' B' ' 23' B LEU . 1.2 m -42.5 -37.6 1.68 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.408 -0.808 . . . . 10.0 110.205 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.484 HG21 ' O ' ' B' ' 16' ' ' GLN . 44.1 t -70.97 -25.66 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.29 -0.881 . . . . 10.0 110.343 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.567 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -88.73 -55.68 3.61 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.084 -1.01 . . . . 10.0 109.464 179.735 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.503 HG12 ' CG ' ' B' ' 27' ' ' PRO . 11.5 t -51.02 -22.93 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.716 -0.615 . . . . 10.0 110.04 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 23' B LEU . . . . . 0.517 ' HB2' ' O ' ' B' ' 19' ' ' THR . 4.1 mp -89.9 -37.26 14.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.297 -0.877 . . . . 10.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' B' ' 24' ' ' ARG . 0.0 OUTLIER -76.3 6.07 6.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -0.913 . . . . 10.0 110.913 -179.391 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . 0.642 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.4 pt20 -162.5 16.04 0.08 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.891 -1.131 . . . . 10.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.642 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 17.48 77.18 0.14 Allowed Pre-proline 0 N--CA 1.5 2.031 0 O-C-N 121.433 -0.792 . . . . 10.0 110.747 179.835 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.503 ' CG ' HG12 ' B' ' 22' ' ' VAL . 43.9 Cg_endo -69.39 169.02 19.4 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.03 1.542 . . . . 10.0 110.683 -179.524 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.09 -51.96 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 123.992 1.522 . . . . 10.0 110.445 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -151.64 143.81 23.97 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.228 -0.92 . . . . 10.0 110.035 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.611 HD11 ' N ' ' B' ' 30' ' ' LEU . 0.4 OUTLIER -69.1 -49.71 54.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.267 -0.896 . . . . 10.0 109.444 179.694 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.681 HG11 ' CZ ' ' A' ' 42' ' ' ARG . 71.9 t -23.01 -72.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 CA-C-O 121.64 0.733 . . . . 10.0 110.825 179.533 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.506 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -60.91 -57.93 10.58 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.647 -0.658 . . . . 10.0 109.577 179.664 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.525 ' CE1' ' HB2' ' B' ' 37' ' ' TYR . 0.6 OUTLIER -43.89 -62.49 1.1 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.225 -0.922 . . . . 10.0 108.985 178.854 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.603 ' O ' ' CD2' ' B' ' 38' ' ' PHE . . . -40.76 -44.65 2.26 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.483 -0.761 . . . . 10.0 110.116 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.721 ' O ' ' HB ' ' B' ' 39' ' ' THR . 3.6 t -78.97 -50.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.106 -0.996 . . . . 10.0 110.609 -179.643 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.544 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.7 OUTLIER -58.21 -46.47 85.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.079 -1.013 . . . . 10.0 110.582 -179.382 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . 0.544 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 4.3 t80 -68.96 -58.39 4.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.053 -1.03 . . . . 10.0 110.255 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.72 ' O ' ' NE ' ' B' ' 42' ' ' ARG . 10.8 m-85 -55.91 -69.9 0.13 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.156 -0.965 . . . . 10.0 109.964 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.721 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 1.8 m -39.09 -29.54 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.121 -0.987 . . . . 10.0 109.89 179.802 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' B' ' 38' ' ' PHE . 0.0 OUTLIER -77.27 -35.43 55.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.258 -0.901 . . . . 10.0 109.958 179.535 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.717 ' HB3' ' NH1' ' B' ' 42' ' ' ARG . 0.6 OUTLIER -57.91 -61.3 2.63 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.135 -0.978 . . . . 10.0 109.784 179.766 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.74 ' H ' ' NE ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -37.09 -39.99 0.28 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.375 -0.828 . . . . 10.0 110.012 -179.599 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.491 ' O ' ' HD3' ' B' ' 45' ' ' ARG . 2.0 mt-10 -86.6 14.06 7.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.249 -0.907 . . . . 10.0 110.201 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.704 ' N ' ' O ' ' B' ' 41' ' ' LEU . . . -43.81 -63.77 0.79 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.4 -0.812 . . . . 10.0 110.606 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.74 ' HD3' ' N ' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -26.36 91.7 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.997 0.903 . . . . 10.0 110.978 -178.646 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' B' ' 44' ' ' ALA . 1.9 tpt180 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 120.983 -1.073 . . . . 10.0 110.196 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.631 HD13 ' C ' ' A' ' 11' ' ' LEU . 2.7 tm? . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.29 0.567 . . . . 10.0 110.174 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 13' ' ' GLU . 74.4 m -59.06 -70.7 0.14 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.931 . . . . 10.0 110.12 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.3 tp10 -42.04 -61.81 1.07 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.403 -0.81 . . . . 10.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.519 ' HA ' HD23 ' A' ' 14' ' ' LEU . 8.1 mt -43.58 -62.09 1.19 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.192 -0.943 . . . . 10.0 110.082 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 11' ' ' LEU . 18.2 mt -52.46 -50.31 62.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.17 -0.956 . . . . 10.0 110.054 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.24 -61.68 1.12 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.903 . . . . 10.0 110.002 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -44.42 -49.48 8.38 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.066 -1.614 . . . . 10.0 109.066 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.666 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -41.33 -62.89 0.77 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.41 -1.053 . . . . 10.0 110.253 179.718 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.583 ' O ' ' HB2' ' A' ' 23' A LEU . 0.6 OUTLIER -50.28 -35.69 28.3 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.345 -0.847 . . . . 10.0 109.95 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.566 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 42.1 t -70.56 -24.51 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.263 -0.898 . . . . 10.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' OE2' ' CZ ' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -90.86 -64.32 1.15 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.167 -0.958 . . . . 10.0 110.066 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.545 HG22 ' CE2' ' A' ' 33' ' ' PHE . 9.8 t -45.68 -27.11 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.626 -0.671 . . . . 10.0 110.687 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' A LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 19' ' ' THR . 4.5 mp -88.47 -41.22 12.9 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.981 -1.074 . . . . 10.0 110.545 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -71.41 1.37 6.42 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.1 -1.0 . . . . 10.0 110.551 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.693 ' O ' ' C ' ' A' ' 26' ' ' GLN . 16.8 pt20 -159.2 20.58 0.19 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.092 -1.005 . . . . 10.0 110.614 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' A' ' 25' ' ' GLN . 8.9 mt-30 0.59 89.42 0.03 OUTLIER Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.701 -0.624 . . . . 10.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 26' ' ' GLN . 42.4 Cg_endo -68.88 160.48 49.59 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 123.974 1.513 . . . . 10.0 110.694 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.53 -8.41 23.52 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 O-C-N 124.072 1.564 . . . . 10.0 110.635 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 1.9 m-20 -168.33 139.6 2.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 10.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.526 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -82.78 -62.89 1.48 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.264 -0.897 . . . . 10.0 110.189 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 30' ' ' LEU . 12.1 t -34.37 -63.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.361 -0.837 . . . . 10.0 110.098 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -58.86 -41.54 87.25 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.539 -0.726 . . . . 10.0 110.144 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CE2' HG22 ' A' ' 22' ' ' VAL . 79.8 t80 -64.74 -34.47 78.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.262 -0.899 . . . . 10.0 109.703 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.666 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -67.87 -39.33 83.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.378 -0.826 . . . . 10.0 109.735 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.641 HG23 ' HB3' ' B' ' 38' ' ' PHE . 5.2 t -71.14 -42.33 75.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.416 -0.803 . . . . 10.0 110.135 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.52 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 6.0 mm-40 -69.04 -54.86 12.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.215 -0.928 . . . . 10.0 110.527 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.539 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 41.2 t80 -55.94 -49.71 72.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.189 -0.945 . . . . 10.0 110.686 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.589 ' HB3' HG23 ' B' ' 35' ' ' VAL . 13.6 m-85 -70.34 -51.27 31.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 10.0 110.579 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.657 ' HA ' HG21 ' B' ' 35' ' ' VAL . 16.2 m -45.02 -36.96 3.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.988 -1.07 . . . . 10.0 109.746 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.52 ' HD2' ' O ' ' A' ' 36' ' ' GLU . 20.2 mtt180 -79.77 -38.24 33.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.872 . . . . 10.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.463 HD23 HG13 ' B' ' 31' ' ' VAL . 35.5 tp -46.96 -33.33 4.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.968 . . . . 10.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.441 HH21 HG11 ' B' ' 35' ' ' VAL . 0.0 OUTLIER -59.83 -32.71 70.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 10.0 110.093 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 10.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.633 HD13 ' C ' ' B' ' 11' ' ' LEU . 2.7 tm? . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.237 0.541 . . . . 10.0 110.197 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.425 ' O ' ' C ' ' B' ' 13' ' ' GLU . 72.5 m -59.04 -70.63 0.14 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.234 -0.916 . . . . 10.0 110.131 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.3 tp10 -41.84 -61.92 1.01 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.42 -0.8 . . . . 10.0 110.235 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.518 ' HA ' HD23 ' B' ' 14' ' ' LEU . 8.3 mt -43.58 -62.06 1.2 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 10.0 110.143 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.598 HD12 HD11 ' B' ' 11' ' ' LEU . 18.1 mt -52.45 -50.26 62.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.893 . . . . 10.0 110.071 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' B' ' 17' ' ' GLY . 0.0 OUTLIER -42.26 -61.86 1.08 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 10.0 109.982 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -44.41 -49.59 8.33 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.125 -1.59 . . . . 10.0 109.125 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.666 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.5 OUTLIER -41.17 -62.77 0.78 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.382 -1.069 . . . . 10.0 110.193 179.712 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.577 ' O ' ' HB2' ' B' ' 23' B LEU . 0.6 OUTLIER -50.44 -35.87 30.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.301 -0.875 . . . . 10.0 109.91 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.573 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 39.6 t -70.32 -24.49 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.894 . . . . 10.0 110.499 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.506 ' OE2' ' CZ ' ' B' ' 37' ' ' TYR . 0.6 OUTLIER -90.84 -64.8 1.08 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.116 -0.99 . . . . 10.0 110.106 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.539 HG22 ' CE2' ' B' ' 33' ' ' PHE . 10.4 t -45.14 -27.35 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.692 -0.63 . . . . 10.0 110.67 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' B LEU . . . . . 0.577 ' HB2' ' O ' ' B' ' 19' ' ' THR . 4.4 mp -88.38 -41.19 12.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.063 -1.023 . . . . 10.0 110.504 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.1 OUTLIER -71.13 0.92 6.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.051 -1.031 . . . . 10.0 110.596 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.692 ' O ' ' C ' ' B' ' 26' ' ' GLN . 17.1 pt20 -158.74 19.68 0.21 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.035 -1.041 . . . . 10.0 110.661 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.692 ' C ' ' O ' ' B' ' 25' ' ' GLN . 9.1 mt-30 1.72 89.3 0.03 OUTLIER Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.693 -0.629 . . . . 10.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.85 160.55 49.25 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 O-C-N 124.016 1.535 . . . . 10.0 110.68 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.39 -9.34 25.98 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 124.048 1.552 . . . . 10.0 110.623 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -167.79 139.52 3.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.193 -0.942 . . . . 10.0 110.214 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.3 OUTLIER -82.46 -63.58 1.35 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.19 -0.944 . . . . 10.0 110.236 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.531 ' C ' ' O ' ' B' ' 30' ' ' LEU . 10.7 t -33.75 -63.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.462 -0.774 . . . . 10.0 110.067 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -59.59 -42.27 92.19 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.589 -0.694 . . . . 10.0 110.089 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.539 ' CE2' HG22 ' B' ' 22' ' ' VAL . 76.3 t80 -64.14 -34.3 77.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.195 -0.941 . . . . 10.0 109.734 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.666 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -67.95 -39.15 83.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.397 -0.814 . . . . 10.0 109.767 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' A' ' 39' ' ' THR . 5.6 t -71.42 -42.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 10.0 110.08 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.518 ' O ' ' HD2' ' B' ' 40' ' ' ARG . 6.0 mm-40 -69.11 -54.94 12.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 10.0 110.5 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.506 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 39.9 t80 -55.61 -50.4 70.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.21 -0.931 . . . . 10.0 110.683 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.641 ' HB3' HG23 ' A' ' 35' ' ' VAL . 13.8 m-85 -69.73 -51.59 32.9 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.112 -0.992 . . . . 10.0 110.578 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.636 ' HA ' HG21 ' A' ' 35' ' ' VAL . 16.4 m -45.06 -36.36 3.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.957 -1.089 . . . . 10.0 109.716 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.518 ' HD2' ' O ' ' B' ' 36' ' ' GLU . 21.3 mtt180 -79.94 -38.12 33.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.262 -0.899 . . . . 10.0 110.249 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.508 HD23 HG13 ' A' ' 31' ' ' VAL . 34.4 tp -47.2 -32.94 4.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.233 -0.917 . . . . 10.0 110.073 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.473 HH21 HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.271 -0.893 . . . . 10.0 110.077 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.5 tp . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.232 0.539 . . . . 10.0 110.384 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 15' ' ' LEU . 10.4 m -48.23 -68.53 0.18 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.302 -0.874 . . . . 10.0 110.635 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.557 ' CG ' ' N ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -39.48 -47.38 1.84 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.464 -0.772 . . . . 10.0 110.612 -179.606 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.557 ' N ' ' CG ' ' A' ' 13' ' ' GLU . 50.4 mt -65.35 -30.47 71.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.133 -0.979 . . . . 10.0 110.193 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.054 HD11 HD21 ' B' ' 15' ' ' LEU . 0.1 OUTLIER -74.36 -66.66 0.7 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.247 -0.908 . . . . 10.0 110.143 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.0 mt-30 -45.34 -33.7 2.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.285 -0.884 . . . . 10.0 110.102 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.54 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -72.58 -47.35 27.79 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.619 -1.393 . . . . 10.0 109.619 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.772 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -69.09 -43.49 74.4 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.099 -1.236 . . . . 10.0 109.623 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -59.64 -35.37 74.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.883 . . . . 10.0 109.72 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 16' ' ' GLN . 3.0 t -67.53 -27.65 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 10.0 109.855 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.715 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.5 mt-10 -76.18 -26.57 56.32 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.282 -0.886 . . . . 10.0 109.457 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -85.64 -40.67 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.521 -0.737 . . . . 10.0 110.076 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' A LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 23' A LEU . 1.6 mt -61.83 -38.51 88.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -0.903 . . . . 10.0 109.977 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -82.99 -51.14 7.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.33 -0.856 . . . . 10.0 110.171 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 7.1 mm100 -73.09 -30.59 63.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.203 -0.936 . . . . 10.0 110.247 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 22' ' ' VAL . 3.5 mm-40 40.57 64.53 4.73 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 10.0 110.001 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.58 159.76 52.31 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 O-C-N 124.04 1.548 . . . . 10.0 110.684 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.23 -21.18 36.32 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 124.09 1.574 . . . . 10.0 110.352 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -137.69 120.29 16.13 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.862 . . . . 10.0 110.038 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.609 HD22 ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -81.02 -66.28 0.91 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.19 -0.944 . . . . 10.0 110.23 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.623 HG12 ' HG2' ' B' ' 42' ' ' ARG . 10.1 t -27.98 -54.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 CA-C-O 121.77 0.795 . . . . 10.0 110.042 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.41 ' CG ' ' NH1' ' B' ' 42' ' ' ARG . 7.2 t0 -66.3 -48.08 71.52 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.756 -0.59 . . . . 10.0 109.967 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CE1' HG22 ' A' ' 22' ' ' VAL . 29.2 t80 -63.78 -44.43 93.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.187 -0.946 . . . . 10.0 109.698 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.609 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -64.28 -24.18 67.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 10.0 110.024 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.511 ' O ' ' HB ' ' A' ' 39' ' ' THR . 2.2 t -87.25 -48.04 15.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.23 -0.919 . . . . 10.0 109.632 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -55.83 -43.19 76.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 10.0 110.01 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.658 ' O ' HD12 ' A' ' 41' ' ' LEU . 33.4 t80 -66.86 -56.78 8.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.194 -0.942 . . . . 10.0 110.08 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 2.2 m-85 -61.79 -60.67 3.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.403 -0.811 . . . . 10.0 110.214 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 12.5 m -43.08 -40.99 3.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.171 -0.956 . . . . 10.0 109.942 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 2.7 mtt180 -59.02 -41.46 87.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 10.0 109.944 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.658 HD12 ' O ' ' A' ' 37' ' ' TYR . 2.6 mp -57.48 -37.12 72.39 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -0.879 . . . . 10.0 109.993 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.542 ' HG2' HG12 ' B' ' 31' ' ' VAL . 0.9 OUTLIER -67.0 -9.33 37.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.357 -0.839 . . . . 10.0 110.231 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.208 -0.933 . . . . 10.0 110.214 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.252 0.549 . . . . 10.0 110.393 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.489 ' O ' ' N ' ' B' ' 15' ' ' LEU . 10.8 m -48.92 -68.33 0.19 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.248 -0.907 . . . . 10.0 110.582 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.554 ' CG ' ' N ' ' B' ' 14' ' ' LEU . 0.5 OUTLIER -39.44 -47.26 1.79 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.429 -0.794 . . . . 10.0 110.56 -179.611 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.554 ' N ' ' CG ' ' B' ' 13' ' ' GLU . 51.8 mt -65.74 -30.88 71.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 10.0 110.141 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 1.054 HD21 HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -73.39 -67.81 0.55 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 10.0 110.131 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.406 ' O ' HG23 ' B' ' 20' ' ' VAL . 3.1 mt-30 -44.43 -35.04 2.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.266 -0.896 . . . . 10.0 110.094 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -71.02 -47.81 36.2 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.619 -1.392 . . . . 10.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.773 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.0 OUTLIER -69.04 -43.2 75.18 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.086 -1.243 . . . . 10.0 109.706 179.76 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -59.91 -35.09 74.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 10.0 109.733 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 16' ' ' GLN . 3.1 t -67.73 -27.75 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.296 -0.878 . . . . 10.0 109.799 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.724 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.4 mt-10 -76.01 -26.88 57.11 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.28 -0.887 . . . . 10.0 109.47 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.773 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -85.5 -40.55 14.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.499 -0.751 . . . . 10.0 110.09 -179.607 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 23' B LEU . . . . . 0.482 ' HA ' HD23 ' B' ' 23' B LEU . 1.5 mt -61.75 -38.4 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.325 -0.859 . . . . 10.0 110.03 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -83.39 -50.88 7.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.337 -0.852 . . . . 10.0 110.174 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' B' ' 21' ' ' GLU . 7.5 mm100 -73.15 -30.44 63.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 10.0 110.193 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' B' ' 22' ' ' VAL . 3.5 mm-40 40.35 64.63 4.53 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.367 -0.833 . . . . 10.0 110.074 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.66 159.67 52.61 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 O-C-N 124.034 1.544 . . . . 10.0 110.665 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.26 -20.48 37.13 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.022 1.538 . . . . 10.0 110.336 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -138.17 120.4 15.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -0.908 . . . . 10.0 110.044 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.595 HD22 ' HB2' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -81.27 -66.4 0.89 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.216 -0.928 . . . . 10.0 110.199 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.58 ' C ' ' O ' ' B' ' 30' ' ' LEU . 9.7 t -27.91 -54.24 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 CA-C-O 121.77 0.795 . . . . 10.0 110.005 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -66.07 -47.91 72.71 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.78 -0.575 . . . . 10.0 109.968 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.618 ' CE1' HG22 ' B' ' 22' ' ' VAL . 28.6 t80 -63.97 -44.39 92.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.158 -0.964 . . . . 10.0 109.622 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.595 ' HB2' HD22 ' B' ' 30' ' ' LEU . . . -64.38 -24.3 67.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.377 -0.827 . . . . 10.0 109.983 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.509 ' O ' ' HB ' ' B' ' 39' ' ' THR . 2.2 t -86.66 -48.23 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.262 -0.899 . . . . 10.0 109.652 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -55.83 -43.2 76.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.439 -0.788 . . . . 10.0 109.928 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.675 ' O ' HD12 ' B' ' 41' ' ' LEU . 34.4 t80 -66.65 -57.4 7.27 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.893 . . . . 10.0 110.164 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 2.3 m-85 -61.28 -60.56 3.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 10.0 110.296 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 13.0 m -43.06 -41.01 3.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.144 -0.972 . . . . 10.0 109.941 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 2.4 mtt180 -59.28 -41.57 89.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.181 -0.949 . . . . 10.0 109.914 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.675 HD12 ' O ' ' B' ' 37' ' ' TYR . 2.5 mp -57.43 -36.85 71.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.292 -0.88 . . . . 10.0 109.999 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.623 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.358 -0.839 . . . . 10.0 110.154 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.774 HD22 HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.253 0.549 . . . . 10.0 110.196 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 88.9 m -48.55 -43.94 36.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.283 -0.885 . . . . 10.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' LEU . 1.9 mm-40 -53.62 -78.44 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 10.0 110.564 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' GLU . 1.7 mp -40.12 -52.21 2.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.359 -0.838 . . . . 10.0 110.658 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.774 HD22 HD22 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -57.54 -59.74 4.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.194 -0.941 . . . . 10.0 110.625 -179.564 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 12' ' ' THR . 1.3 tt0 -38.98 -63.41 0.53 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.169 -0.957 . . . . 10.0 109.917 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.542 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.16 -51.59 8.77 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.736 -1.745 . . . . 10.0 108.736 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.696 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -42.04 -64.71 0.55 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.29 -1.124 . . . . 10.0 109.897 179.496 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.609 ' O ' ' HB2' ' A' ' 23' A LEU . 0.8 OUTLIER -48.69 -30.87 5.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 10.0 109.79 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 54.8 t -78.6 -26.2 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.27 -0.894 . . . . 10.0 110.163 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -89.75 -47.86 7.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.159 -0.963 . . . . 10.0 109.814 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 18' ' ' TYR . 2.8 t -65.5 -20.34 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.489 -0.757 . . . . 10.0 110.087 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' A LEU . . . . . 0.609 ' HB2' ' O ' ' A' ' 19' ' ' THR . 7.6 tt -85.18 -48.9 8.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.216 -0.928 . . . . 10.0 110.026 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 1.4 mtt-85 -68.82 -65.19 0.73 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 10.0 110.008 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -62.86 -30.8 71.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.231 -0.918 . . . . 10.0 110.168 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.479 ' C ' ' O ' ' A' ' 25' ' ' GLN . 1.7 mt-30 37.82 70.24 1.27 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.414 -0.804 . . . . 10.0 110.16 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.9 157.82 60.33 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 O-C-N 124.061 1.558 . . . . 10.0 110.639 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 42.5 Cg_endo -69.05 -20.89 37.57 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 124.036 1.545 . . . . 10.0 110.266 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.463 ' OD2' ' OD2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -145.11 121.12 10.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.351 -0.843 . . . . 10.0 109.817 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.609 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -69.81 -68.84 0.39 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.254 -0.904 . . . . 10.0 110.461 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.609 ' C ' ' O ' ' A' ' 30' ' ' LEU . 5.5 t -22.73 -66.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.596 -0.69 . . . . 10.0 110.458 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -53.26 -49.62 66.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.504 -0.747 . . . . 10.0 109.582 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.597 ' N ' ' O ' ' A' ' 30' ' ' LEU . 89.5 t80 -54.59 -37.12 65.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 10.0 109.621 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -63.07 -49.77 73.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 10.0 109.991 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.538 HG22 ' N ' ' B' ' 39' ' ' THR . 89.8 t -62.65 -21.45 27.52 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.318 -0.864 . . . . 10.0 110.237 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 3.6 mt-10 -85.22 -49.63 8.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.307 -0.871 . . . . 10.0 110.312 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.48 ' CD1' ' OE1' ' A' ' 21' ' ' GLU . 40.3 t80 -62.75 -53.69 50.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.319 -0.863 . . . . 10.0 110.407 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.489 ' CG ' ' HB1' ' B' ' 34' ' ' ALA . 9.6 m-85 -62.7 -52.49 63.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.291 -0.881 . . . . 10.0 110.423 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.557 ' N ' HG22 ' B' ' 35' ' ' VAL . 5.0 m -48.84 -55.36 11.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.112 -0.993 . . . . 10.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -55.21 -30.06 59.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.21 -0.931 . . . . 10.0 110.136 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -64.85 -53.22 50.23 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 10.0 109.935 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -13.95 62.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.191 -0.943 . . . . 10.0 109.905 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 1.2 tp10 . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.35 -0.844 . . . . 10.0 109.718 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.776 HD22 HD22 ' B' ' 15' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.275 0.559 . . . . 10.0 110.207 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 99.9 m -47.62 -44.81 27.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 10.0 110.255 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' B' ' 14' ' ' LEU . 1.8 mm-40 -52.48 -78.38 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.467 -0.771 . . . . 10.0 110.579 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' B' ' 13' ' ' GLU . 1.8 mp -40.38 -52.61 2.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.341 -0.849 . . . . 10.0 110.786 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.776 HD22 HD22 ' B' ' 11' ' ' LEU . 0.9 OUTLIER -57.33 -59.66 4.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.216 -0.928 . . . . 10.0 110.691 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.549 ' HB2' ' O ' ' B' ' 12' ' ' THR . 1.4 tt0 -38.93 -63.53 0.52 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.118 -0.989 . . . . 10.0 109.87 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.0 -51.51 8.44 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.787 -1.725 . . . . 10.0 108.787 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.696 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.5 OUTLIER -42.19 -64.5 0.58 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.331 -1.1 . . . . 10.0 110.003 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.609 ' O ' ' HB2' ' B' ' 23' B LEU . 0.8 OUTLIER -48.74 -30.97 6.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 10.0 109.812 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.566 ' O ' ' HG3' ' B' ' 24' ' ' ARG . 56.1 t -78.51 -26.03 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.239 -0.913 . . . . 10.0 110.193 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.9 OUTLIER -89.97 -48.0 7.49 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.16 -0.963 . . . . 10.0 109.79 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 18' ' ' TYR . 2.8 t -65.34 -20.24 27.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.587 -0.696 . . . . 10.0 110.113 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' B LEU . . . . . 0.609 ' HB2' ' O ' ' B' ' 19' ' ' THR . 7.6 tt -85.25 -48.91 8.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.371 -0.83 . . . . 10.0 109.947 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' B' ' 20' ' ' VAL . 1.4 mtt-85 -69.04 -65.3 0.72 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 10.0 110.089 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.482 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -62.36 -30.92 71.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.261 -0.899 . . . . 10.0 110.079 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' B' ' 25' ' ' GLN . 1.7 mt-30 37.73 70.08 1.29 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.417 -0.802 . . . . 10.0 110.058 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.89 158.1 59.21 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.059 1.557 . . . . 10.0 110.633 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.456 ' HG2' ' OD1' ' B' ' 29' ' ' ASP . 42.8 Cg_endo -69.08 -21.32 36.82 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 O-C-N 124.12 1.59 . . . . 10.0 110.221 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.464 ' OD2' ' OD2' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -144.62 121.65 11.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.446 -0.784 . . . . 10.0 109.775 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.605 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.1 OUTLIER -70.1 -68.6 0.41 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 10.0 110.509 -179.71 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.605 ' C ' ' O ' ' B' ' 30' ' ' LEU . 5.5 t -22.99 -66.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.602 -0.686 . . . . 10.0 110.546 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.479 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -53.09 -49.52 66.27 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.547 -0.721 . . . . 10.0 109.53 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.591 ' N ' ' O ' ' B' ' 30' ' ' LEU . 89.6 t80 -54.72 -37.17 65.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 10.0 109.672 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.696 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -63.03 -49.35 74.93 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.332 -0.855 . . . . 10.0 110.069 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.557 HG22 ' N ' ' A' ' 39' ' ' THR . 88.4 t -62.88 -21.52 28.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 O-C-N 121.391 -0.818 . . . . 10.0 110.223 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 3.6 mt-10 -85.3 -49.72 7.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.332 -0.855 . . . . 10.0 110.223 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.464 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 41.0 t80 -62.66 -53.67 51.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 10.0 110.331 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 10.2 m-85 -62.75 -52.96 61.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.261 -0.899 . . . . 10.0 110.462 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.538 ' N ' HG22 ' A' ' 35' ' ' VAL . 5.0 m -48.18 -55.29 10.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.066 -1.021 . . . . 10.0 109.998 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -55.42 -30.59 60.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.241 -0.912 . . . . 10.0 110.13 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 0.8 OUTLIER -64.22 -52.83 56.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.139 -0.975 . . . . 10.0 109.933 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.182 -0.949 . . . . 10.0 109.9 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.189 0.519 . . . . 10.0 110.217 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -51.22 -32.95 25.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.92 . . . . 10.0 110.114 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -62.2 -55.36 29.31 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.343 -0.848 . . . . 10.0 110.089 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.583 HD13 HD23 ' B' ' 30' ' ' LEU . 8.2 mt -54.43 -58.23 8.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.268 -0.895 . . . . 10.0 110.132 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' GLN . 22.1 mt -51.68 -50.43 60.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 10.0 110.278 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -42.2 -58.08 2.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.166 -0.959 . . . . 10.0 109.916 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -44.6 -49.62 8.6 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.953 -1.659 . . . . 10.0 108.953 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.774 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -41.07 -63.28 0.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -1.076 . . . . 10.0 110.096 179.602 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.45 ' O ' HD12 ' A' ' 23' A LEU . 0.5 OUTLIER -48.83 -35.33 14.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.363 -0.836 . . . . 10.0 109.703 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.541 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 20.8 t -73.29 -25.47 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.386 -0.821 . . . . 10.0 110.038 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.575 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -90.96 -56.71 3.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.291 -0.881 . . . . 10.0 109.775 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 18' ' ' TYR . 3.4 t -49.45 -27.87 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 C-N-CA 120.158 -0.617 . . . . 10.0 109.977 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' A LEU . . . . . 0.45 HD12 ' O ' ' A' ' 19' ' ' THR . 87.2 mt -88.3 -36.0 16.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.355 -0.841 . . . . 10.0 110.0 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -77.42 -48.31 17.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.27 -0.894 . . . . 10.0 110.131 179.722 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.504 ' O ' ' C ' ' A' ' 26' ' ' GLN . 9.7 mm100 -88.26 -22.58 23.85 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.255 -0.903 . . . . 10.0 110.47 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.504 ' C ' ' O ' ' A' ' 25' ' ' GLN . 27.0 mm-40 36.47 72.67 0.76 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 10.0 109.835 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.611 ' HG3' ' CG ' ' A' ' 33' ' ' PHE . 43.3 Cg_endo -68.92 160.66 48.9 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 O-C-N 124.106 1.582 . . . . 10.0 110.992 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.57 -14.53 36.84 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 124.223 1.643 . . . . 10.0 110.438 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -160.62 119.65 2.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.319 -0.863 . . . . 10.0 110.182 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.565 HD23 HD13 ' B' ' 14' ' ' LEU . 11.5 tp -58.23 -61.32 2.65 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.251 -0.905 . . . . 10.0 110.366 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 30' ' ' LEU . 23.1 t -33.63 -69.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.371 -0.831 . . . . 10.0 110.11 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -53.34 -42.42 66.76 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.495 -0.753 . . . . 10.0 110.063 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.675 ' CE2' HG22 ' A' ' 22' ' ' VAL . 26.5 t80 -60.46 -40.28 90.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.917 . . . . 10.0 109.852 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.774 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.76 -37.78 74.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.352 -0.842 . . . . 10.0 110.216 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' B' ' 38' ' ' PHE . 20.2 t -70.57 -48.48 58.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.315 -0.866 . . . . 10.0 110.31 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.1 mm-40 -54.1 -56.44 18.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.405 -0.809 . . . . 10.0 110.765 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.32 -58.68 7.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.986 . . . . 10.0 110.666 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.7 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 14.6 m-85 -60.04 -53.68 55.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.239 -0.913 . . . . 10.0 110.653 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.506 ' HA ' HG21 ' B' ' 35' ' ' VAL . 23.6 m -52.33 -37.31 55.58 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.063 -1.023 . . . . 10.0 110.329 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 5.9 mtp180 -79.47 -40.63 29.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.147 -0.971 . . . . 10.0 110.1 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -47.91 -29.27 3.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.198 -0.939 . . . . 10.0 110.126 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -45.16 80.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 10.0 109.957 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.435 ' OE1' ' HA ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 10.0 110.224 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.187 0.518 . . . . 10.0 110.226 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 0.4 OUTLIER -51.61 -32.91 30.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.272 -0.893 . . . . 10.0 110.148 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.81 -55.23 32.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.875 . . . . 10.0 110.137 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.565 HD13 HD23 ' A' ' 30' ' ' LEU . 7.9 mt -54.52 -58.54 7.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.282 -0.886 . . . . 10.0 110.135 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' B' ' 16' ' ' GLN . 21.3 mt -51.36 -50.61 59.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.257 -0.902 . . . . 10.0 110.201 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.9 OUTLIER -42.14 -58.06 2.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 10.0 109.828 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.526 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -44.55 -49.89 8.45 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.899 -1.68 . . . . 10.0 108.899 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.766 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.6 OUTLIER -41.08 -63.34 0.69 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.411 -1.052 . . . . 10.0 110.153 179.673 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.443 ' O ' HD12 ' B' ' 23' B LEU . 0.5 OUTLIER -48.6 -35.48 13.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 10.0 109.661 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.542 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 20.8 t -73.1 -25.77 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.433 -0.792 . . . . 10.0 110.122 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.575 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.6 OUTLIER -90.59 -56.92 3.01 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.27 -0.894 . . . . 10.0 109.807 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 18' ' ' TYR . 3.4 t -49.23 -27.94 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.607 -0.683 . . . . 10.0 109.993 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' B LEU . . . . . 0.443 HD12 ' O ' ' B' ' 19' ' ' THR . 86.1 mt -88.31 -35.96 16.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.293 -0.879 . . . . 10.0 110.004 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.542 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -77.61 -48.31 17.19 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.3 -0.875 . . . . 10.0 110.07 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.507 ' O ' ' C ' ' B' ' 26' ' ' GLN . 9.7 mm100 -88.11 -22.67 23.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 10.0 110.394 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' B' ' 25' ' ' GLN . 5.0 mm100 36.6 72.89 0.74 Allowed Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.332 -0.855 . . . . 10.0 109.915 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.615 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 42.9 Cg_endo -69.07 160.37 50.17 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 O-C-N 124.013 1.533 . . . . 10.0 110.909 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.42 -14.45 37.19 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 O-C-N 124.085 1.571 . . . . 10.0 110.414 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -160.84 119.54 2.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.442 -0.786 . . . . 10.0 110.067 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.583 HD23 HD13 ' A' ' 14' ' ' LEU . 11.9 tp -58.29 -61.16 2.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.283 -0.885 . . . . 10.0 110.294 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.527 ' C ' ' O ' ' B' ' 30' ' ' LEU . 23.3 t -33.53 -69.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.45 -0.781 . . . . 10.0 110.164 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -53.73 -42.62 68.31 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.583 -0.698 . . . . 10.0 110.072 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.67 ' CE2' HG22 ' B' ' 22' ' ' VAL . 26.4 t80 -60.12 -40.78 90.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 10.0 109.778 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.766 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -57.07 -37.8 72.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.366 -0.834 . . . . 10.0 110.128 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.686 HG23 ' HB3' ' A' ' 38' ' ' PHE . 23.8 t -70.58 -48.97 55.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.278 -0.889 . . . . 10.0 110.366 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 1.2 mm-40 -53.58 -56.69 14.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.373 -0.83 . . . . 10.0 110.679 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.85 -58.81 6.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.206 -0.934 . . . . 10.0 110.654 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.708 ' HB3' HG23 ' A' ' 35' ' ' VAL . 15.3 m-85 -60.4 -53.2 60.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 10.0 110.697 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.501 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 24.3 m -52.8 -36.65 58.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.03 -1.044 . . . . 10.0 110.303 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 5.8 mtp180 -80.2 -40.66 26.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.186 -0.946 . . . . 10.0 110.097 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' B' ' 41' ' ' LEU . 0.2 OUTLIER -47.23 -31.75 3.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.192 -0.942 . . . . 10.0 110.133 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.228 -0.92 . . . . 10.0 110.069 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 11' ' ' LEU . 2.9 tm? . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.185 0.517 . . . . 10.0 110.563 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 13' ' ' GLU . 42.7 m -55.19 -73.47 0.05 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.237 -0.914 . . . . 10.0 110.506 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' N ' ' A' ' 14' ' ' LEU . 1.3 tt0 -38.88 -46.84 1.35 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.441 -0.787 . . . . 10.0 110.509 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.473 ' N ' ' HG2' ' A' ' 13' ' ' GLU . 6.3 tp -58.1 -66.59 0.46 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.086 -1.009 . . . . 10.0 110.434 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 16' ' ' GLN . 3.7 mp -45.5 -54.6 7.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.143 -0.973 . . . . 10.0 110.172 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.603 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -40.4 -55.85 2.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 10.0 109.815 179.673 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.558 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.46 -57.09 5.98 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 108.979 -1.648 . . . . 10.0 108.979 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.718 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -37.71 -63.97 0.42 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.407 -1.054 . . . . 10.0 110.285 179.776 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.805 ' O ' HD12 ' A' ' 23' A LEU . 0.6 OUTLIER -52.29 -33.11 40.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -0.932 . . . . 10.0 109.376 179.733 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 46.4 t -75.74 -23.38 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.509 -0.745 . . . . 10.0 110.29 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.558 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -94.03 -61.25 1.57 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.037 -1.039 . . . . 10.0 109.655 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 18' ' ' TYR . 8.5 t -47.6 -33.15 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.564 -0.71 . . . . 10.0 110.348 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' A LEU . . . . . 0.805 HD12 ' O ' ' A' ' 19' ' ' THR . 41.4 mt -86.38 -40.05 15.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.222 -0.924 . . . . 10.0 110.344 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -85.64 13.81 6.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.107 -0.996 . . . . 10.0 110.457 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' A' ' 26' ' ' GLN . 4.9 pt20 -165.1 20.68 0.05 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.105 -0.997 . . . . 10.0 110.611 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -3.35 91.08 0.03 OUTLIER Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.555 -0.716 . . . . 10.0 111.107 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 42.5 Cg_endo -68.78 170.19 15.93 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 124.069 1.562 . . . . 10.0 110.84 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.02 -33.57 19.08 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 O-C-N 124.146 1.603 . . . . 10.0 110.584 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.693 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -142.15 150.38 41.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.365 -0.834 . . . . 10.0 109.844 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 30' ' ' LEU . 1.6 tm? -90.62 -70.41 0.68 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.152 -0.967 . . . . 10.0 110.273 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.529 ' C ' ' O ' ' A' ' 30' ' ' LEU . 16.6 t -34.95 -65.39 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.387 -0.821 . . . . 10.0 109.915 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.69 -38.23 64.02 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.61 -0.681 . . . . 10.0 109.97 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 82.7 t80 -64.01 -38.68 91.94 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.147 -0.971 . . . . 10.0 109.814 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.718 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -65.57 -23.87 66.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 10.0 109.826 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.578 HG21 ' CA ' ' B' ' 39' ' ' THR . 3.0 t -89.68 -50.64 12.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.364 -0.835 . . . . 10.0 110.184 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -57.43 -35.13 69.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 10.0 109.851 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 22.7 t80 -73.83 -58.56 3.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 10.0 110.259 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 21.7 m-85 -65.27 -41.82 93.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 10.0 110.305 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.633 ' CA ' HG21 ' B' ' 35' ' ' VAL . 51.6 m -52.3 -41.85 63.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.067 -1.021 . . . . 10.0 110.061 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 14.2 mtm180 -71.74 -39.48 70.03 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.204 -0.935 . . . . 10.0 109.872 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.39 -43.71 44.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.317 -0.864 . . . . 10.0 110.092 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.518 ' HG2' HG12 ' B' ' 31' ' ' VAL . 16.3 mmm-85 -51.62 -28.85 15.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.2 -0.938 . . . . 10.0 110.153 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.284 -0.885 . . . . 10.0 110.599 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.62 HD13 ' C ' ' B' ' 11' ' ' LEU . 2.9 tm? . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.183 0.516 . . . . 10.0 110.599 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.436 ' O ' ' C ' ' B' ' 13' ' ' GLU . 50.3 m -53.71 -73.53 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.265 -0.897 . . . . 10.0 110.498 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' B' ' 14' ' ' LEU . 1.3 tt0 -38.95 -46.83 1.37 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.502 -0.749 . . . . 10.0 110.625 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.476 ' N ' ' HG2' ' B' ' 13' ' ' GLU . 6.5 tp -58.28 -66.06 0.55 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.107 -0.996 . . . . 10.0 110.407 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' B' ' 16' ' ' GLN . 3.9 mp -45.89 -54.32 8.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.164 -0.96 . . . . 10.0 110.164 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.619 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.0 OUTLIER -40.55 -55.59 2.28 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 10.0 109.811 179.73 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.557 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.55 -57.42 5.86 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.869 -1.693 . . . . 10.0 108.869 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.779 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.7 OUTLIER -37.19 -64.13 0.39 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.469 -1.018 . . . . 10.0 110.364 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.816 ' O ' HD12 ' B' ' 23' B LEU . 0.6 OUTLIER -52.45 -33.45 44.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.168 -0.957 . . . . 10.0 109.385 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.619 HG23 ' O ' ' B' ' 16' ' ' GLN . 45.0 t -75.26 -23.59 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.48 -0.762 . . . . 10.0 110.289 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.557 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.2 OUTLIER -94.02 -62.23 1.38 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.073 -1.017 . . . . 10.0 109.673 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.468 ' H ' HG23 ' B' ' 22' ' ' VAL . 10.0 t -46.72 -33.12 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.596 -0.69 . . . . 10.0 110.352 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' B LEU . . . . . 0.816 HD12 ' O ' ' B' ' 19' ' ' THR . 41.8 mt -86.41 -40.07 15.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.12 -0.988 . . . . 10.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -85.51 13.94 6.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.207 -0.933 . . . . 10.0 110.477 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' B' ' 26' ' ' GLN . 5.1 pt20 -165.29 20.84 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.125 -0.985 . . . . 10.0 110.589 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER -3.71 91.19 0.03 OUTLIER Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 121.597 -0.689 . . . . 10.0 111.092 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' B' ' 22' ' ' VAL . 43.3 Cg_endo -68.88 170.23 15.98 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 124.054 1.555 . . . . 10.0 110.792 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.26 -32.64 20.21 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 O-C-N 124.065 1.56 . . . . 10.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.696 ' O ' ' HB2' ' B' ' 33' ' ' PHE . 0.5 OUTLIER -142.87 150.2 39.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 10.0 109.867 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.638 HD13 ' C ' ' B' ' 30' ' ' LEU . 1.7 tm? -90.66 -70.11 0.69 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.054 -1.029 . . . . 10.0 110.301 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.525 ' C ' ' O ' ' B' ' 30' ' ' LEU . 15.5 t -35.1 -65.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.401 -0.812 . . . . 10.0 109.981 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -54.15 -38.28 65.33 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.596 -0.69 . . . . 10.0 109.997 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.696 ' HB2' ' O ' ' B' ' 29' ' ' ASP . 82.6 t80 -63.96 -39.0 93.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.278 -0.889 . . . . 10.0 109.749 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.779 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -64.79 -23.99 67.41 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.362 -0.836 . . . . 10.0 109.792 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.633 HG21 ' CA ' ' A' ' 39' ' ' THR . 3.3 t -90.1 -51.3 12.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.348 -0.845 . . . . 10.0 110.324 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -56.63 -34.54 67.37 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.258 -0.901 . . . . 10.0 109.826 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.481 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 22.4 t80 -74.51 -59.06 2.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.199 -0.938 . . . . 10.0 110.209 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 21.6 m-85 -64.89 -42.08 95.07 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.174 -0.954 . . . . 10.0 110.368 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.578 ' CA ' HG21 ' A' ' 35' ' ' VAL . 55.0 m -52.39 -41.92 63.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.165 -0.959 . . . . 10.0 110.058 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' B' ' 36' ' ' GLU . 13.3 mtm180 -71.45 -39.47 70.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.23 -0.918 . . . . 10.0 109.786 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.55 -42.82 45.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.291 -0.881 . . . . 10.0 110.11 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.421 ' HG2' HG12 ' A' ' 31' ' ' VAL . 14.9 mmm-85 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.937 . . . . 10.0 110.203 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.447 HD13 HD11 ' B' ' 30' ' ' LEU . 22.4 tp . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.193 0.521 . . . . 10.0 110.267 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.478 ' CG2' ' OE1' ' A' ' 16' ' ' GLN . 3.4 m -61.25 -64.01 1.09 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.27 -0.894 . . . . 10.0 110.392 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.7 tp10 -39.09 -55.79 1.55 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.508 -0.745 . . . . 10.0 110.387 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.7 -68.51 0.19 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.207 -0.933 . . . . 10.0 110.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.497 ' HG ' ' HG ' ' B' ' 15' ' ' LEU . 7.6 mp -59.15 -55.54 33.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.904 . . . . 10.0 110.417 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.478 ' OE1' ' CG2' ' A' ' 12' ' ' THR . 1.9 tt0 -40.77 -55.48 2.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.316 -0.865 . . . . 10.0 109.905 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -45.62 -53.69 8.23 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.071 -1.612 . . . . 10.0 109.071 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.698 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -39.84 -62.29 0.73 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.418 -1.048 . . . . 10.0 110.312 179.741 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -49.64 -32.21 12.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.931 . . . . 10.0 109.748 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.543 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 41.4 t -76.91 -22.65 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.424 -0.797 . . . . 10.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.541 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -95.12 -54.79 3.3 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.069 -1.019 . . . . 10.0 109.699 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 18' ' ' TYR . 4.5 t -53.93 -29.54 18.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.598 -0.689 . . . . 10.0 110.115 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' A LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 19' ' ' THR . 43.5 mt -90.05 -37.51 14.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.249 -0.907 . . . . 10.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 0.4 OUTLIER -83.86 38.17 0.63 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.193 -0.942 . . . . 10.0 110.167 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.562 ' HG3' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER 177.29 -28.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 10.0 109.813 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.562 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 40.21 86.85 0.12 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.347 -0.845 . . . . 10.0 110.586 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -71.58 165.26 33.06 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 O-C-N 123.833 1.438 . . . . 10.0 110.354 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.93 -22.78 35.51 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 123.929 1.489 . . . . 10.0 110.043 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.492 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 45.3 m-20 -151.11 118.26 5.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.467 -0.771 . . . . 10.0 109.652 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -65.32 -62.06 1.75 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.161 -0.962 . . . . 10.0 110.498 -179.644 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.3 t -33.32 -67.16 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.527 -0.733 . . . . 10.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.577 ' HB2' ' CZ ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -53.33 -36.7 61.59 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.527 -0.733 . . . . 10.0 109.947 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 92.9 t80 -66.88 -35.93 81.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.23 -0.919 . . . . 10.0 109.705 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.698 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -63.84 -33.67 76.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.434 -0.791 . . . . 10.0 110.032 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.588 ' O ' ' HB ' ' A' ' 39' ' ' THR . 12.0 t -76.65 -42.64 34.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 O-C-N 121.337 -0.852 . . . . 10.0 109.748 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 7.8 mt-10 -64.58 -37.9 89.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 10.0 110.549 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -65.38 -60.98 2.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.037 -1.039 . . . . 10.0 110.765 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.527 ' HB3' HG23 ' B' ' 35' ' ' VAL . 38.1 m-85 -65.25 -58.43 5.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.249 -0.907 . . . . 10.0 110.9 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 11.5 m -40.83 -41.31 1.55 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.066 -1.021 . . . . 10.0 110.173 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.588 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -70.09 -43.22 71.55 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.082 -1.011 . . . . 10.0 109.87 179.705 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 9.7 mt -44.62 -38.46 4.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.287 -0.883 . . . . 10.0 109.745 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.57 ' HD2' HG12 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -59.7 -32.47 70.54 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.276 -0.89 . . . . 10.0 109.7 179.575 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 40' ' ' ARG . 12.1 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.404 -0.81 . . . . 10.0 110.163 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.526 HD13 HD11 ' A' ' 30' ' ' LEU . 21.6 tp . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.193 0.52 . . . . 10.0 110.294 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.491 ' CG2' ' OE1' ' B' ' 16' ' ' GLN . 3.3 m -61.23 -64.18 1.04 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.339 -0.85 . . . . 10.0 110.376 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.8 tp10 -38.88 -55.99 1.44 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.642 -0.661 . . . . 10.0 110.426 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.57 -68.67 0.18 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 10.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.497 ' HG ' ' HG ' ' A' ' 15' ' ' LEU . 7.9 mp -59.11 -55.29 36.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 10.0 110.453 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.491 ' OE1' ' CG2' ' B' ' 12' ' ' THR . 1.9 tt0 -40.9 -55.45 2.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.171 -0.956 . . . . 10.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 20' ' ' VAL . . . -45.85 -53.78 8.5 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.082 -1.607 . . . . 10.0 109.082 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.692 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.9 OUTLIER -39.57 -62.24 0.71 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.442 -1.034 . . . . 10.0 110.311 179.704 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -49.69 -32.12 12.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.284 -0.885 . . . . 10.0 109.835 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.543 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 40.7 t -77.07 -22.7 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 10.0 110.241 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.542 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.2 OUTLIER -94.95 -54.67 3.37 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.981 -1.074 . . . . 10.0 109.754 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 18' ' ' TYR . 4.5 t -54.07 -29.62 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.664 -0.647 . . . . 10.0 110.091 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' B LEU . . . . . 0.463 ' HB2' ' O ' ' B' ' 19' ' ' THR . 43.4 mt -89.98 -37.22 14.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.165 -0.959 . . . . 10.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.543 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.4 OUTLIER -83.91 37.43 0.6 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.098 -1.001 . . . . 10.0 110.256 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.57 ' HG3' ' N ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER 178.02 -28.68 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.324 -0.86 . . . . 10.0 109.856 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.57 ' N ' ' HG3' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 40.37 86.51 0.13 Allowed Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.341 -0.849 . . . . 10.0 110.665 179.614 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.38 165.32 32.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 O-C-N 123.948 1.499 . . . . 10.0 110.276 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.23 -22.99 33.71 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 O-C-N 123.899 1.473 . . . . 10.0 110.039 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.48 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 45.0 m-20 -150.91 117.97 5.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.387 -0.821 . . . . 10.0 109.737 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.536 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.2 OUTLIER -65.08 -62.44 1.55 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 10.0 110.354 -179.524 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.57 HG12 ' HD2' ' A' ' 42' ' ' ARG . 18.0 t -33.02 -67.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.452 -0.78 . . . . 10.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -52.82 -36.87 59.24 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.527 -0.733 . . . . 10.0 109.894 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' B' ' 30' ' ' LEU . 92.5 t80 -66.87 -35.99 81.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.323 -0.86 . . . . 10.0 109.701 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.692 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -63.52 -33.83 76.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.379 -0.826 . . . . 10.0 109.945 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.582 ' O ' ' HB ' ' B' ' 39' ' ' THR . 13.3 t -77.01 -42.68 32.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.34 -0.85 . . . . 10.0 109.616 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 7.2 mt-10 -64.19 -38.28 90.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 10.0 110.478 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -65.01 -60.88 2.55 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.021 -1.049 . . . . 10.0 110.829 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.556 ' HB3' HG23 ' A' ' 35' ' ' VAL . 39.2 m-85 -65.35 -58.52 5.7 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.154 -0.966 . . . . 10.0 110.821 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.582 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 8.5 m -40.79 -41.45 1.57 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.968 -1.083 . . . . 10.0 110.087 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -70.04 -43.53 71.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 10.0 109.833 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 9.3 mt -44.25 -38.47 3.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 10.0 109.681 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.91 . . . . 10.0 109.777 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.274 0.559 . . . . 10.0 110.038 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 1.3 m -53.27 -25.19 13.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.907 . . . . 10.0 110.237 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -75.84 -63.07 1.39 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 10.0 110.355 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.748 HD22 HD23 ' B' ' 30' ' ' LEU . 0.6 OUTLIER -46.26 -51.21 14.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.163 -0.961 . . . . 10.0 110.334 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 15' ' ' LEU . 5.7 mt -60.43 -51.59 68.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.169 -0.957 . . . . 10.0 110.098 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.595 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.4 tt0 -42.94 -50.6 5.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.212 -0.93 . . . . 10.0 109.727 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -53.08 -59.65 9.16 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.156 -1.578 . . . . 10.0 109.156 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.805 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -40.02 -58.59 1.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.384 -1.068 . . . . 10.0 110.105 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.99 -41.1 46.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.859 . . . . 10.0 109.618 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 16' ' ' GLN . 49.6 t -70.41 -27.81 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.358 -0.839 . . . . 10.0 110.217 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -88.34 -67.81 0.81 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.119 -0.988 . . . . 10.0 109.538 179.594 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 18' ' ' TYR . 6.2 t -41.55 -25.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.615 -0.678 . . . . 10.0 110.09 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' A LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' GLU . 3.5 tp -89.97 -32.78 16.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.273 -0.892 . . . . 10.0 110.466 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.548 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -87.89 11.96 14.37 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.185 -0.947 . . . . 10.0 110.806 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.659 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -168.54 44.15 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.941 -1.099 . . . . 10.0 110.606 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.659 ' C ' ' O ' ' A' ' 25' ' ' GLN . 4.4 mm-40 -14.17 94.69 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.643 -0.661 . . . . 10.0 110.904 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.612 ' HD3' ' OE1' ' A' ' 25' ' ' GLN . 46.3 Cg_endo -70.9 147.32 55.29 Favored 'Trans proline' 0 C--N 1.301 -1.935 0 O-C-N 124.471 1.774 . . . . 10.0 110.856 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.06 -20.29 33.63 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 123.995 1.524 . . . . 10.0 109.989 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 29' ' ' ASP . 4.5 p30 -160.05 116.69 2.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.375 -0.828 . . . . 10.0 109.99 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.705 HD23 HD22 ' B' ' 14' ' ' LEU . 6.3 tp -64.66 -66.24 0.57 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.239 -0.913 . . . . 10.0 110.28 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.62 ' C ' ' O ' ' A' ' 30' ' ' LEU . 10.0 t -25.37 -62.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 CA-C-O 121.572 0.701 . . . . 10.0 110.25 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.93 -53.03 62.67 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.663 -0.648 . . . . 10.0 109.646 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -52.24 -65.69 0.51 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.139 -0.976 . . . . 10.0 108.854 178.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.805 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -43.39 -32.01 0.77 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.464 -0.772 . . . . 10.0 109.99 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.566 HG22 ' OG1' ' B' ' 39' ' ' THR . 2.4 t -83.18 -55.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 O-C-N 121.122 -0.986 . . . . 10.0 110.07 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -36.84 68.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.285 -0.885 . . . . 10.0 110.007 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.486 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 70.4 t80 -72.63 -64.22 1.0 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.186 -0.946 . . . . 10.0 110.459 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CE1' HD23 ' A' ' 14' ' ' LEU . 11.1 m-85 -56.94 -55.69 31.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.238 -0.914 . . . . 10.0 110.442 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.563 ' OG1' HG22 ' B' ' 35' ' ' VAL . 18.8 m -48.02 -53.38 16.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.0 -1.063 . . . . 10.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -63.43 -23.45 67.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.261 -0.899 . . . . 10.0 110.016 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -30.8 62.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.844 . . . . 10.0 110.068 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.494 ' HG2' HG11 ' B' ' 31' ' ' VAL . 0.9 OUTLIER -59.84 -18.07 41.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.265 -0.897 . . . . 10.0 110.138 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.271 -0.893 . . . . 10.0 110.242 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.353 0.597 . . . . 10.0 110.094 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.5 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 1.4 m -53.91 -24.79 17.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 10.0 110.247 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -76.35 -62.14 1.72 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.244 -0.91 . . . . 10.0 110.313 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.705 HD22 HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -47.1 -50.37 20.15 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.216 -0.928 . . . . 10.0 110.352 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.463 ' N ' HD23 ' B' ' 15' ' ' LEU . 5.6 mt -61.23 -51.71 67.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 10.0 110.168 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.609 ' O ' HG23 ' B' ' 20' ' ' VAL . 2.5 mt-30 -42.84 -50.29 5.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.281 -0.887 . . . . 10.0 109.77 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -53.38 -59.86 9.01 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.144 -1.583 . . . . 10.0 109.144 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.81 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.4 OUTLIER -39.93 -58.58 1.37 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.408 -1.054 . . . . 10.0 110.057 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.07 -41.05 47.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.237 -0.914 . . . . 10.0 109.651 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 16' ' ' GLN . 49.1 t -70.41 -27.69 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.392 -0.818 . . . . 10.0 110.171 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' B' ' 17' ' ' GLY . 0.8 OUTLIER -88.45 -67.99 0.8 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.193 -0.942 . . . . 10.0 109.478 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 18' ' ' TYR . 5.9 t -41.41 -25.44 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.637 -0.664 . . . . 10.0 110.15 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' B LEU . . . . . 0.479 ' N ' ' O ' ' B' ' 21' ' ' GLU . 3.3 tp -90.24 -32.76 16.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 10.0 110.369 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -87.55 11.77 14.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.101 -0.999 . . . . 10.0 110.817 -179.571 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.663 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -168.38 44.0 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.072 -1.017 . . . . 10.0 110.641 179.622 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.663 ' C ' ' O ' ' B' ' 25' ' ' GLN . 4.5 mm-40 -14.19 94.78 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.948 0 O-C-N 121.606 -0.684 . . . . 10.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.615 ' HD3' ' OE1' ' B' ' 25' ' ' GLN . 46.0 Cg_endo -70.78 147.45 56.33 Favored 'Trans proline' 0 C--N 1.3 -1.984 0 O-C-N 124.474 1.776 . . . . 10.0 110.916 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.1 -20.12 33.66 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.031 1.543 . . . . 10.0 110.003 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' B' ' 29' ' ' ASP . 4.7 p30 -160.35 116.49 2.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.455 -0.778 . . . . 10.0 110.012 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.748 HD23 HD22 ' A' ' 14' ' ' LEU . 6.4 tp -64.29 -66.29 0.56 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.23 -0.919 . . . . 10.0 110.437 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.617 ' C ' ' O ' ' B' ' 30' ' ' LEU . 10.0 t -25.16 -63.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.521 -0.737 . . . . 10.0 110.253 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -53.17 61.06 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.686 -0.634 . . . . 10.0 109.563 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' B' ' 30' ' ' LEU . 0.8 OUTLIER -52.04 -65.81 0.49 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.2 -0.938 . . . . 10.0 108.86 178.907 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.81 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -43.21 -31.91 0.67 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 10.0 110.047 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.563 HG22 ' OG1' ' A' ' 39' ' ' THR . 2.4 t -83.39 -55.82 6.69 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 O-C-N 121.164 -0.96 . . . . 10.0 110.063 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -36.21 67.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.281 -0.887 . . . . 10.0 110.077 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.481 ' HB2' ' CE1' ' B' ' 33' ' ' PHE . 70.3 t80 -73.25 -64.0 1.07 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.286 -0.884 . . . . 10.0 110.403 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.445 ' CE1' HD23 ' B' ' 14' ' ' LEU . 11.1 m-85 -57.32 -55.29 36.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 10.0 110.473 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.566 ' OG1' HG22 ' A' ' 35' ' ' VAL . 18.8 m -48.33 -53.07 18.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.986 -1.071 . . . . 10.0 110.038 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -64.05 -23.3 67.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 10.0 110.024 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.9 -29.77 62.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.35 -0.844 . . . . 10.0 110.047 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.5 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 10.0 110.187 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.655 HD22 ' HG ' ' B' ' 30' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.28 0.562 . . . . 10.0 110.022 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 4.7 m -69.19 -25.7 64.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.864 . . . . 10.0 110.281 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -75.72 -43.12 48.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 10.0 110.305 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.28 -45.67 92.24 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.289 -0.882 . . . . 10.0 110.377 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.472 ' HG ' ' HG ' ' B' ' 15' ' ' LEU . 4.9 mp -66.31 -60.53 2.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.868 . . . . 10.0 110.616 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -38.28 -66.16 0.29 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.189 -0.944 . . . . 10.0 110.102 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.535 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.96 -46.54 14.55 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.985 -1.646 . . . . 10.0 108.985 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.764 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -43.87 -62.21 1.19 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.378 -1.072 . . . . 10.0 110.181 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -51.18 -32.42 23.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.374 -0.829 . . . . 10.0 110.103 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 16' ' ' GLN . 16.3 t -74.55 -22.18 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.184 -0.947 . . . . 10.0 110.4 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.7 OUTLIER -91.64 -56.55 3.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.071 -1.018 . . . . 10.0 109.637 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.645 HG22 ' CE2' ' A' ' 33' ' ' PHE . 3.5 t -51.17 -28.8 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.649 -0.657 . . . . 10.0 110.174 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' A LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 19' ' ' THR . 2.7 mt -89.17 -33.91 16.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 10.0 109.924 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 3.3 tpt180 -73.36 -68.8 0.47 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 10.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.508 ' HG3' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -77.64 -26.26 50.33 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.183 -0.948 . . . . 10.0 110.24 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 42.91 74.73 0.72 Allowed Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.178 -0.952 . . . . 10.0 110.155 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.508 ' HD3' ' HG3' ' A' ' 25' ' ' GLN . 44.6 Cg_endo -70.67 170.49 17.54 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 124.116 1.588 . . . . 10.0 110.564 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.66 -49.41 0.58 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 124.046 1.55 . . . . 10.0 110.549 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.41 147.06 44.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.235 -0.916 . . . . 10.0 110.182 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.614 HD13 ' O ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -85.38 -47.59 9.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.293 -0.879 . . . . 10.0 109.901 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.449 HG23 ' H ' ' A' ' 31' ' ' VAL . 12.7 t -43.51 -68.96 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 10.0 109.723 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -49.69 -36.2 24.31 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.518 -0.739 . . . . 10.0 109.909 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.733 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 17.2 t80 -66.72 -43.52 84.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.933 . . . . 10.0 109.591 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.767 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -60.25 -30.88 69.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.425 -0.797 . . . . 10.0 109.821 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.694 HG21 ' HA ' ' B' ' 39' ' ' THR . 24.2 t -83.69 -31.27 8.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 121.332 -0.855 . . . . 10.0 110.274 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.527 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -77.26 -36.11 54.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.291 -0.88 . . . . 10.0 110.427 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.527 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 52.3 t80 -73.39 -58.17 3.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.17 -0.956 . . . . 10.0 110.599 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.718 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 20.9 m-85 -61.34 -52.79 63.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.175 -0.953 . . . . 10.0 110.522 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.668 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 3.8 m -48.63 -53.33 19.01 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.993 -1.067 . . . . 10.0 109.528 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' O ' ' HB3' ' A' ' 43' ' ' GLU . 67.6 ttt180 -57.72 -25.8 60.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.82 . . . . 10.0 109.826 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -61.37 -40.59 94.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 10.0 109.765 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.405 ' NH1' ' CG ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -53.5 -25.15 15.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.335 -0.853 . . . . 10.0 110.273 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.495 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.242 -0.911 . . . . 10.0 109.895 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.501 HD22 ' HG ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.295 0.569 . . . . 10.0 110.032 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 4.7 m -69.44 -26.05 64.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.26 -0.9 . . . . 10.0 110.3 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -75.54 -43.5 48.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.913 . . . . 10.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.535 ' CD2' HD12 ' A' ' 30' ' ' LEU . 5.2 mp -61.82 -46.2 90.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.22 -0.925 . . . . 10.0 110.394 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.472 ' HG ' ' HG ' ' A' ' 15' ' ' LEU . 4.9 mp -65.87 -60.48 2.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.272 -0.892 . . . . 10.0 110.571 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -38.12 -66.36 0.27 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.312 -0.868 . . . . 10.0 110.135 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.96 -46.72 14.65 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.977 -1.649 . . . . 10.0 108.977 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.758 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.4 OUTLIER -43.57 -62.08 1.19 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.411 -1.053 . . . . 10.0 110.159 179.704 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -51.38 -32.37 25.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.41 -0.806 . . . . 10.0 110.015 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 16' ' ' GLN . 16.5 t -74.75 -22.29 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.908 . . . . 10.0 110.437 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.7 OUTLIER -91.4 -56.54 3.09 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.197 -0.94 . . . . 10.0 109.688 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.649 HG22 ' CE2' ' B' ' 33' ' ' PHE . 3.4 t -51.14 -29.07 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.594 -0.691 . . . . 10.0 110.175 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' B LEU . . . . . 0.527 ' HB2' ' O ' ' B' ' 19' ' ' THR . 2.8 mt -88.93 -33.69 17.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.102 -0.999 . . . . 10.0 109.926 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 3.4 tpt180 -73.56 -68.52 0.5 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.354 -0.841 . . . . 10.0 110.32 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.506 ' HG3' ' HD3' ' B' ' 27' ' ' PRO . 0.0 OUTLIER -77.85 -26.29 49.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.183 -0.948 . . . . 10.0 110.155 -179.774 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 42.99 74.68 0.74 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.178 -0.951 . . . . 10.0 110.241 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.506 ' HD3' ' HG3' ' B' ' 25' ' ' GLN . 45.0 Cg_endo -70.67 170.2 18.24 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 O-C-N 124.118 1.588 . . . . 10.0 110.522 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.64 -49.18 0.6 Allowed 'Trans proline' 0 C--N 1.304 -1.776 0 O-C-N 124.05 1.552 . . . . 10.0 110.631 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.57 146.79 45.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.253 -0.904 . . . . 10.0 110.188 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.655 ' HG ' HD22 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -85.19 -47.48 10.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.335 -0.853 . . . . 10.0 109.966 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.438 HG23 ' H ' ' B' ' 31' ' ' VAL . 12.4 t -43.6 -69.0 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.204 -0.935 . . . . 10.0 109.743 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -49.71 -36.03 23.97 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.618 -0.676 . . . . 10.0 109.885 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.723 ' CE2' ' CE1' ' B' ' 18' ' ' TYR . 17.2 t80 -66.89 -42.79 84.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 10.0 109.581 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.758 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -61.11 -30.99 70.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.391 -0.818 . . . . 10.0 109.859 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.662 ' O ' ' HB ' ' B' ' 39' ' ' THR . 22.3 t -83.6 -29.9 7.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.381 -0.824 . . . . 10.0 110.249 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.541 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -78.8 -35.61 44.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.321 -0.862 . . . . 10.0 110.461 -179.667 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.541 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 51.1 t80 -74.04 -57.3 4.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.199 -0.938 . . . . 10.0 110.556 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.767 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 21.2 m-85 -62.34 -50.98 69.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.167 -0.958 . . . . 10.0 110.448 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.694 ' HA ' HG21 ' A' ' 35' ' ' VAL . 3.6 m -49.69 -53.17 26.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.929 -1.107 . . . . 10.0 109.494 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -58.15 -25.15 61.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.466 -0.771 . . . . 10.0 109.886 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' B' ' 41' ' ' LEU . 0.0 OUTLIER -61.9 -41.24 97.67 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.245 -0.91 . . . . 10.0 109.772 179.688 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.33 -0.856 . . . . 10.0 110.296 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.577 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 2.6 tm? . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.187 0.517 . . . . 10.0 110.024 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.628 HG22 ' N ' ' A' ' 13' ' ' GLU . 2.4 m -54.43 -78.0 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.304 -0.873 . . . . 10.0 110.588 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.628 ' N ' HG22 ' A' ' 12' ' ' THR . 1.5 mm-40 -34.4 -55.85 0.52 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.586 -0.696 . . . . 10.0 110.642 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -36.77 74.75 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.17 -0.956 . . . . 10.0 110.18 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.644 HD21 HD21 ' B' ' 15' ' ' LEU . 0.2 OUTLIER -69.48 -70.87 0.25 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.172 -0.955 . . . . 10.0 110.286 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.867 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.9 mt-30 -41.09 -32.91 0.28 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.373 -0.829 . . . . 10.0 110.149 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -65.41 -53.49 32.07 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.191 -1.563 . . . . 10.0 109.191 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.788 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -69.3 -34.94 75.46 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.316 -1.108 . . . . 10.0 109.343 179.378 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -64.81 -39.96 94.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.341 -0.849 . . . . 10.0 109.668 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 16' ' ' GLN . 66.9 t -64.13 -29.13 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.311 -0.868 . . . . 10.0 109.698 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.73 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -71.28 -34.38 70.62 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.249 -0.907 . . . . 10.0 109.029 179.418 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.6 t -73.04 -55.92 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.703 -0.623 . . . . 10.0 109.816 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' A LEU . . . . . 0.487 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -55.85 -19.02 10.15 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.108 -0.995 . . . . 10.0 109.643 179.485 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -49.14 6.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.426 -0.796 . . . . 10.0 110.143 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' GLN . 14.5 mm-40 -89.57 -21.24 22.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 10.0 110.465 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.8 OUTLIER 43.41 64.15 7.0 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.141 -0.974 . . . . 10.0 110.093 -179.83 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.605 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -69.97 151.1 67.74 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.083 1.57 . . . . 10.0 110.707 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.73 -23.4 31.0 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 123.996 1.524 . . . . 10.0 110.219 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -134.26 125.06 26.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.371 -0.831 . . . . 10.0 110.059 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.015 ' CD1' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -80.7 -66.26 0.91 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.228 -0.92 . . . . 10.0 110.402 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.618 ' C ' ' O ' ' A' ' 30' ' ' LEU . 6.9 t -21.49 -56.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-O 121.598 0.714 . . . . 10.0 110.577 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.8 t0 -66.51 -50.72 62.28 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.591 -0.693 . . . . 10.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.605 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 17.3 t80 -58.54 -51.98 67.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.046 -1.034 . . . . 10.0 109.765 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.015 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . . . -56.2 -28.66 59.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.355 -0.84 . . . . 10.0 109.822 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.65 HG23 ' HB3' ' B' ' 38' ' ' PHE . 2.4 t -87.33 -51.72 12.46 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 O-C-N 121.28 -0.888 . . . . 10.0 110.068 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -48.35 -38.61 19.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.107 -0.996 . . . . 10.0 110.228 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.536 ' CD2' ' OE1' ' A' ' 21' ' ' GLU . 5.6 t80 -74.89 -62.5 1.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.159 -0.963 . . . . 10.0 110.325 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.625 ' HB3' HG23 ' B' ' 35' ' ' VAL . 12.0 m-85 -61.44 -48.72 79.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.296 -0.877 . . . . 10.0 110.391 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.612 ' HA ' HG21 ' B' ' 35' ' ' VAL . 44.6 m -52.45 -44.42 65.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.098 -1.001 . . . . 10.0 109.699 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -63.19 -27.12 69.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.322 -0.861 . . . . 10.0 109.8 179.602 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HA ' HD12 ' A' ' 41' ' ' LEU . 12.9 tp -68.93 -35.83 77.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.386 -0.821 . . . . 10.0 109.982 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.424 ' HD3' ' CG ' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -52.38 -32.89 40.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.26 -0.9 . . . . 10.0 109.993 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.379 -0.825 . . . . 10.0 109.97 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' B' ' 15' ' ' LEU . 2.6 tm? . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.252 0.549 . . . . 10.0 110.091 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.606 HG22 ' N ' ' B' ' 13' ' ' GLU . 2.7 m -54.63 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.366 -0.834 . . . . 10.0 110.607 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.606 ' N ' HG22 ' B' ' 12' ' ' THR . 1.5 mm-40 -34.4 -55.78 0.52 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.516 -0.74 . . . . 10.0 110.604 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -36.52 74.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.11 -0.994 . . . . 10.0 110.184 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.644 HD21 HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.69 -70.91 0.26 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.21 -0.931 . . . . 10.0 110.222 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.867 ' O ' HG23 ' B' ' 20' ' ' VAL . 1.6 mt-30 -41.01 -32.68 0.25 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.257 -0.902 . . . . 10.0 110.108 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -65.85 -53.5 30.44 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.093 -1.603 . . . . 10.0 109.093 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.79 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.0 OUTLIER -69.28 -34.65 75.06 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.243 -1.151 . . . . 10.0 109.375 179.427 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -65.08 -40.05 94.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.278 -0.889 . . . . 10.0 109.755 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 16' ' ' GLN . 65.5 t -64.08 -28.83 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.389 -0.819 . . . . 10.0 109.662 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.727 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.8 OUTLIER -71.68 -33.9 69.22 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.22 -0.925 . . . . 10.0 109.085 179.427 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.79 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.6 t -73.37 -56.05 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.7 -0.625 . . . . 10.0 109.905 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' B LEU . . . . . 0.495 ' O ' ' NE2' ' B' ' 26' ' ' GLN . 0.5 OUTLIER -55.62 -19.53 10.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 10.0 109.594 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -49.51 6.74 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.393 -0.817 . . . . 10.0 110.239 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' B' ' 26' ' ' GLN . 14.9 mm-40 -89.08 -21.78 23.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.226 -0.921 . . . . 10.0 110.463 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' B' ' 22' ' ' VAL . 0.7 OUTLIER 44.11 63.92 7.76 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.242 -0.911 . . . . 10.0 110.06 -179.823 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.604 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 44.6 Cg_endo -69.91 150.91 67.94 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 O-C-N 124.075 1.566 . . . . 10.0 110.671 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.88 -23.39 30.32 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 123.994 1.523 . . . . 10.0 110.142 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -133.9 124.68 26.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.353 -0.842 . . . . 10.0 110.016 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 1.02 ' CD1' ' HB2' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -80.42 -66.35 0.89 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 10.0 110.416 -179.826 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.615 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.5 t -21.51 -57.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 CA-C-O 121.623 0.725 . . . . 10.0 110.694 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' B' ' 30' ' ' LEU . 5.3 t0 -66.18 -50.85 62.46 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.571 -0.706 . . . . 10.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.604 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 17.5 t80 -58.41 -52.15 66.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.096 -1.002 . . . . 10.0 109.831 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 1.02 ' HB2' ' CD1' ' B' ' 30' ' ' LEU . . . -56.08 -28.78 59.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 10.0 109.889 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.625 HG23 ' HB3' ' A' ' 38' ' ' PHE . 2.4 t -87.28 -51.69 12.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 O-C-N 121.312 -0.867 . . . . 10.0 110.085 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -48.22 -38.88 19.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.113 -0.992 . . . . 10.0 110.194 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.536 ' CD2' ' OE1' ' B' ' 21' ' ' GLU . 5.6 t80 -74.87 -61.96 1.71 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 10.0 110.318 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.65 ' HB3' HG23 ' A' ' 35' ' ' VAL . 11.8 m-85 -61.86 -48.58 79.88 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.922 . . . . 10.0 110.362 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.586 ' HA ' HG21 ' A' ' 35' ' ' VAL . 38.9 m -52.76 -44.16 66.3 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.986 -1.071 . . . . 10.0 109.641 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.5 OUTLIER -63.44 -26.73 68.86 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 10.0 109.75 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.468 ' HA ' HD12 ' B' ' 41' ' ' LEU . 13.2 tp -69.41 -35.7 76.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.346 -0.846 . . . . 10.0 109.977 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.418 ' HD3' ' CG ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.867 . . . . 10.0 110.059 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.702 ' CD2' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.368 0.604 . . . . 10.0 110.068 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.649 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 7.3 m -62.21 -26.19 68.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 10.0 110.2 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -84.55 -54.61 4.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.286 -0.884 . . . . 10.0 110.504 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.666 HD12 HD13 ' B' ' 30' ' ' LEU . 76.5 mt -60.85 -48.29 82.49 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.244 -0.91 . . . . 10.0 110.415 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.702 HD13 ' CD2' ' A' ' 11' ' ' LEU . 3.5 tp -61.43 -55.9 26.17 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.124 -0.985 . . . . 10.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.649 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -41.51 -42.67 2.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.018 -1.051 . . . . 10.0 109.341 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.553 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -52.28 -65.58 3.18 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.787 -1.725 . . . . 10.0 108.787 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.861 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -38.37 -58.89 0.95 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.431 -1.04 . . . . 10.0 110.014 179.476 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.539 ' O ' ' HB2' ' A' ' 23' A LEU . 1.8 m -51.04 -34.51 29.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.357 -0.84 . . . . 10.0 109.923 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' GLY . 38.2 t -82.7 -25.11 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 10.0 110.481 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -87.18 -48.57 7.94 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.097 -1.002 . . . . 10.0 109.457 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 18' ' ' TYR . 3.2 t -59.93 -36.71 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.529 -0.732 . . . . 10.0 110.081 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' A LEU . . . . . 0.539 ' HB2' ' O ' ' A' ' 19' ' ' THR . 3.3 mp -74.93 -35.51 62.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.118 -0.988 . . . . 10.0 109.82 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -69.15 -9.18 51.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.276 -0.89 . . . . 10.0 109.949 179.711 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.632 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.1 pt20 -159.9 37.75 0.18 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.387 -0.821 . . . . 10.0 109.913 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.632 ' C ' ' O ' ' A' ' 25' ' ' GLN . 2.7 mt-30 -15.92 86.6 0.03 OUTLIER Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 121.782 -0.574 . . . . 10.0 111.111 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.56 ' N ' ' O ' ' A' ' 25' ' ' GLN . 43.5 Cg_endo -69.55 162.47 41.83 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 O-C-N 124.098 1.578 . . . . 10.0 110.611 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.27 -40.23 6.37 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 O-C-N 124.074 1.565 . . . . 10.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -136.63 131.74 34.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.165 -0.959 . . . . 10.0 110.316 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.731 HD13 HD12 ' B' ' 14' ' ' LEU . 0.9 OUTLIER -78.36 -50.1 12.37 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.196 -0.94 . . . . 10.0 110.173 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.581 ' C ' ' O ' ' A' ' 30' ' ' LEU . 5.9 t -27.43 -62.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.544 -0.723 . . . . 10.0 110.513 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.468 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -63.23 -51.79 64.79 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.475 -0.766 . . . . 10.0 110.011 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 83.0 t80 -55.71 -50.21 70.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.148 -0.97 . . . . 10.0 109.703 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.814 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -53.93 -28.79 39.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.296 -0.877 . . . . 10.0 109.699 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.722 HG23 ' HB3' ' B' ' 38' ' ' PHE . 5.7 t -83.19 -56.52 5.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.402 -0.811 . . . . 10.0 109.848 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.538 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -52.35 -38.19 58.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.403 -0.811 . . . . 10.0 110.385 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.538 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 31.5 t80 -73.09 -55.75 6.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.189 -0.944 . . . . 10.0 110.617 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.722 ' HB3' HG23 ' B' ' 35' ' ' VAL . 10.4 m-85 -67.39 -56.12 10.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.148 -0.97 . . . . 10.0 110.617 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 5.5 m -44.99 -40.81 6.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.967 -1.083 . . . . 10.0 109.894 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.09 -37.08 69.65 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.28 -0.887 . . . . 10.0 109.986 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.488 ' HB3' HG13 ' B' ' 31' ' ' VAL . 2.3 tp -49.25 -52.09 29.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.176 -0.952 . . . . 10.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.554 ' HG2' ' CG1' ' B' ' 31' ' ' VAL . 3.4 mmm-85 -53.63 -33.06 53.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.11 -0.994 . . . . 10.0 110.189 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.242 -0.912 . . . . 10.0 110.047 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.698 ' CD2' HD13 ' B' ' 15' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.347 0.594 . . . . 10.0 110.069 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.65 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 7.0 m -62.47 -26.35 68.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -0.86 . . . . 10.0 110.155 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -84.43 -54.37 4.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.249 -0.907 . . . . 10.0 110.569 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.731 HD12 HD13 ' A' ' 30' ' ' LEU . 78.7 mt -61.13 -48.3 82.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.904 . . . . 10.0 110.463 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.698 HD13 ' CD2' ' B' ' 11' ' ' LEU . 3.6 tp -61.46 -55.9 26.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.122 -0.986 . . . . 10.0 110.282 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.65 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.9 OUTLIER -41.51 -42.55 2.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.139 -0.975 . . . . 10.0 109.37 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.576 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -52.46 -64.99 3.58 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 108.764 -1.734 . . . . 10.0 108.764 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.856 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.8 OUTLIER -38.98 -58.73 1.07 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -1.102 . . . . 10.0 109.892 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' B' ' 23' B LEU . 1.8 m -51.05 -34.83 31.54 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 10.0 109.983 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 39.0 t -82.07 -25.03 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.232 -0.918 . . . . 10.0 110.448 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' B' ' 17' ' ' GLY . 0.8 OUTLIER -87.45 -48.75 7.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.017 . . . . 10.0 109.547 179.779 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.856 HG23 ' O ' ' B' ' 18' ' ' TYR . 3.3 t -59.63 -36.66 66.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.549 -0.72 . . . . 10.0 110.093 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' B LEU . . . . . 0.54 ' HB2' ' O ' ' B' ' 19' ' ' THR . 3.3 mp -75.11 -35.67 61.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 10.0 109.767 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -68.95 -9.02 49.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 10.0 109.989 179.754 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.629 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.0 pt20 -160.12 37.75 0.18 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.397 -0.814 . . . . 10.0 109.93 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.629 ' C ' ' O ' ' B' ' 25' ' ' GLN . 2.6 mt-30 -15.99 86.66 0.03 OUTLIER Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.836 -0.54 . . . . 10.0 111.118 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.562 ' N ' ' O ' ' B' ' 25' ' ' GLN . 43.5 Cg_endo -69.54 162.59 41.37 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.083 1.57 . . . . 10.0 110.603 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.53 -40.56 5.52 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.086 1.571 . . . . 10.0 110.608 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -136.19 131.58 34.79 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.221 -0.925 . . . . 10.0 110.293 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.678 HD22 ' HG ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -78.17 -49.92 12.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.289 -0.882 . . . . 10.0 110.23 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.577 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.0 t -27.63 -62.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.582 -0.699 . . . . 10.0 110.539 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.467 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -63.02 -51.56 66.31 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.562 -0.711 . . . . 10.0 110.079 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.577 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 82.7 t80 -56.07 -49.96 72.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.155 -0.966 . . . . 10.0 109.729 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.823 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -54.14 -29.01 43.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 10.0 109.635 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.722 HG23 ' HB3' ' A' ' 38' ' ' PHE . 5.6 t -82.88 -56.16 6.29 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.394 -0.816 . . . . 10.0 109.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -52.98 -38.08 61.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 10.0 110.366 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.539 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 31.3 t80 -73.07 -55.65 6.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.138 -0.976 . . . . 10.0 110.599 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.722 ' HB3' HG23 ' A' ' 35' ' ' VAL . 10.3 m-85 -67.5 -56.17 10.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 10.0 110.556 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 5.8 m -44.69 -41.15 6.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.088 -1.008 . . . . 10.0 109.998 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -36.95 70.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.937 . . . . 10.0 109.986 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.538 ' HB3' HG13 ' A' ' 31' ' ' VAL . 2.2 tp -49.35 -52.03 30.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 10.0 110.284 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.55 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 3.2 mmm-85 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.192 -0.943 . . . . 10.0 110.181 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.442 HD23 HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.25 0.548 . . . . 10.0 110.171 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 13' ' ' GLU . 59.8 m -52.98 -73.18 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 10.0 110.278 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.3 tt0 -37.13 -42.54 0.44 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.559 -0.713 . . . . 10.0 110.252 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.537 HD23 ' CE1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -67.08 -60.58 2.5 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.201 -0.937 . . . . 10.0 110.107 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 16' ' ' GLN . 1.6 mp -67.73 -60.48 2.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 10.0 110.226 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -39.05 -44.43 1.12 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.874 . . . . 10.0 109.685 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.531 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -55.57 -63.62 5.12 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 108.627 -1.789 . . . . 10.0 108.627 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.832 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -43.82 -57.91 3.01 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.326 -1.102 . . . . 10.0 109.963 179.262 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.838 ' O ' HD12 ' A' ' 23' A LEU . 0.2 OUTLIER -45.23 -31.68 1.61 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.409 -0.807 . . . . 10.0 110.317 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 73.8 t -86.71 -24.84 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 10.0 110.432 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.588 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -89.12 -37.18 15.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.149 -0.969 . . . . 10.0 109.757 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 18' ' ' TYR . 2.4 t -75.17 -42.79 44.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.514 -0.741 . . . . 10.0 110.304 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' A LEU . . . . . 0.838 HD12 ' O ' ' A' ' 19' ' ' THR . 8.2 mt -76.61 -31.69 57.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.147 -0.971 . . . . 10.0 110.129 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -80.73 1.75 28.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.181 -0.95 . . . . 10.0 110.435 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.692 ' O ' ' C ' ' A' ' 26' ' ' GLN . 3.5 pt20 -165.58 23.79 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.119 -0.988 . . . . 10.0 110.542 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.692 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 2.82 78.62 0.04 OUTLIER Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 121.713 -0.617 . . . . 10.0 110.982 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.54 ' CD ' ' HA ' ' A' ' 22' ' ' VAL . 43.5 Cg_endo -70.05 126.28 12.95 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 O-C-N 124.125 1.592 . . . . 10.0 110.771 -179.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.71 -5.18 15.56 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 124.009 1.531 . . . . 10.0 110.2 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.546 ' O ' ' C ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -114.32 27.82 9.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.422 -0.799 . . . . 10.0 109.906 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.546 ' C ' ' O ' ' A' ' 29' ' ' ASP . 13.9 tp -29.64 -68.79 0.07 Allowed 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.468 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.507 ' C ' ' O ' ' A' ' 30' ' ' LEU . 20.6 t -38.57 -61.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.275 -0.891 . . . . 10.0 109.346 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -59.76 -50.48 73.65 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.732 -0.605 . . . . 10.0 109.389 179.24 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -50.93 -52.04 46.19 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.28 -0.888 . . . . 10.0 109.307 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.759 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -53.05 -27.96 22.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.447 -0.783 . . . . 10.0 109.866 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.607 HG21 ' CA ' ' B' ' 39' ' ' THR . 4.4 t -85.94 -54.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.361 -0.837 . . . . 10.0 109.804 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.713 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 4.6 mm-40 -49.31 -34.65 16.11 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 10.0 110.017 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -77.54 -52.56 8.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.231 -0.918 . . . . 10.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.537 ' CE1' HD23 ' A' ' 14' ' ' LEU . 12.0 m-85 -72.36 -55.54 6.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.257 -0.902 . . . . 10.0 110.306 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.586 ' CA ' HG21 ' B' ' 35' ' ' VAL . 11.7 m -47.6 -49.81 25.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.173 -0.954 . . . . 10.0 110.072 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.713 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -65.81 -33.94 77.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.008 -1.057 . . . . 10.0 109.595 179.436 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.64 -56.28 4.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.347 -0.845 . . . . 10.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HD2' ' CG1' ' B' ' 31' ' ' VAL . 0.0 OUTLIER -50.48 -33.45 21.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.194 -0.941 . . . . 10.0 110.381 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.198 -0.939 . . . . 10.0 110.453 -179.846 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.442 HD23 HD22 ' B' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.282 0.563 . . . . 10.0 110.223 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.484 ' O ' ' C ' ' B' ' 13' ' ' GLU . 60.0 m -54.09 -73.6 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.9 . . . . 10.0 110.384 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.4 tt0 -37.01 -42.82 0.43 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.498 -0.751 . . . . 10.0 110.322 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.542 HD23 ' CE1' ' B' ' 38' ' ' PHE . 0.0 OUTLIER -66.27 -60.76 2.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.383 -0.823 . . . . 10.0 110.108 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' B' ' 16' ' ' GLN . 1.5 mp -67.71 -60.62 2.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -0.896 . . . . 10.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' B' ' 15' ' ' LEU . 0.9 OUTLIER -38.97 -44.43 1.08 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.327 -0.858 . . . . 10.0 109.738 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -55.53 -63.6 5.14 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 108.617 -1.793 . . . . 10.0 108.617 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.839 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.9 OUTLIER -43.82 -58.0 2.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.406 -1.055 . . . . 10.0 109.933 179.354 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.819 ' O ' HD12 ' B' ' 23' B LEU . 0.2 OUTLIER -45.18 -31.71 1.57 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.38 -0.825 . . . . 10.0 110.39 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' B' ' 24' ' ' ARG . 65.7 t -86.85 -24.48 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.911 . . . . 10.0 110.416 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.581 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -89.25 -36.87 15.36 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.139 -0.975 . . . . 10.0 109.823 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.839 HG23 ' O ' ' B' ' 18' ' ' TYR . 2.3 t -75.42 -42.78 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.477 -0.765 . . . . 10.0 110.32 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' B LEU . . . . . 0.819 HD12 ' O ' ' B' ' 19' ' ' THR . 9.2 mt -76.61 -31.68 57.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.125 -0.985 . . . . 10.0 110.173 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -80.8 1.56 30.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.233 -0.917 . . . . 10.0 110.486 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' B' ' 26' ' ' GLN . 3.4 pt20 -165.48 24.0 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.106 -0.996 . . . . 10.0 110.408 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 2.69 78.65 0.04 OUTLIER Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.682 -0.636 . . . . 10.0 111.02 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.547 ' CD ' ' HA ' ' B' ' 22' ' ' VAL . 43.9 Cg_endo -70.03 125.97 12.6 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.057 1.556 . . . . 10.0 110.866 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.37 -5.49 16.1 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 123.955 1.503 . . . . 10.0 110.19 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.547 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -114.18 27.68 9.31 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.342 -0.849 . . . . 10.0 109.881 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' B' ' 29' ' ' ASP . 14.0 tp -29.65 -68.42 0.07 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.465 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.504 ' C ' ' O ' ' B' ' 30' ' ' LEU . 21.2 t -38.83 -61.12 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.215 -0.928 . . . . 10.0 109.301 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 0.6 OUTLIER -59.84 -50.51 73.5 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.286 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -50.65 -52.11 42.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.318 -0.864 . . . . 10.0 109.381 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.758 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -52.91 -28.37 23.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.409 -0.807 . . . . 10.0 109.885 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.586 HG21 ' CA ' ' A' ' 39' ' ' THR . 4.0 t -85.62 -54.48 8.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.474 -0.766 . . . . 10.0 109.71 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.702 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 4.5 mm-40 -49.88 -35.17 22.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 10.0 109.967 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -77.02 -52.07 9.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.104 -0.997 . . . . 10.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.542 ' CE1' HD23 ' B' ' 14' ' ' LEU . 12.4 m-85 -72.92 -55.75 6.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.227 -0.921 . . . . 10.0 110.318 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.607 ' CA ' HG21 ' A' ' 35' ' ' VAL . 15.1 m -47.1 -50.11 20.59 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.107 -0.996 . . . . 10.0 110.112 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.702 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.1 OUTLIER -65.53 -35.03 79.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.928 -1.108 . . . . 10.0 109.531 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.41 -56.5 3.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 10.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.497 ' NE ' ' HB2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.227 -0.921 . . . . 10.0 110.357 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 17.2 tp . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.163 0.506 . . . . 10.0 110.134 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 20.2 m -39.82 -72.03 0.07 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.91 . . . . 10.0 110.101 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.8 mm-40 -34.25 -48.32 0.33 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.536 -0.727 . . . . 10.0 110.595 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 1.2 mp -60.62 -77.98 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.242 -0.911 . . . . 10.0 110.098 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.6 mp -44.01 -51.16 7.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 10.0 109.934 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.54 ' HB2' ' O ' ' A' ' 12' ' ' THR . 1.4 tt0 -48.03 -48.29 33.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.18 -0.95 . . . . 10.0 109.565 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.532 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -48.51 -54.6 12.79 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.925 -1.67 . . . . 10.0 108.925 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.906 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -40.58 -57.0 1.96 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.438 -1.036 . . . . 10.0 109.864 179.553 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.53 ' O ' ' HB2' ' A' ' 23' A LEU . 0.7 OUTLIER -48.48 -50.06 33.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.334 -0.854 . . . . 10.0 109.665 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.509 ' N ' HG22 ' A' ' 19' ' ' THR . 16.5 t -59.5 -27.84 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.275 -0.891 . . . . 10.0 110.414 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -88.52 -50.79 6.07 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.25 -0.906 . . . . 10.0 109.77 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 18' ' ' TYR . 3.3 t -57.8 -36.29 54.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.503 -0.748 . . . . 10.0 109.905 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' A LEU . . . . . 0.53 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.4 OUTLIER -72.61 -42.03 64.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 10.0 109.66 179.407 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -77.93 -44.81 25.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 10.0 110.082 179.726 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 10.0 mm100 -81.53 -31.69 32.66 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.147 -0.971 . . . . 10.0 110.194 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 42.21 56.51 10.26 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.368 -0.832 . . . . 10.0 110.348 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -70.29 159.66 52.25 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.023 1.538 . . . . 10.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.93 -33.67 15.49 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 O-C-N 124.006 1.529 . . . . 10.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.94 132.06 31.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.937 . . . . 10.0 110.092 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.544 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.4 OUTLIER -77.84 -47.04 19.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.204 -0.935 . . . . 10.0 110.1 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.544 ' C ' ' O ' ' A' ' 30' ' ' LEU . 11.2 t -30.6 -68.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.637 -0.665 . . . . 10.0 110.386 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.521 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -52.44 -50.46 62.54 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.399 -0.813 . . . . 10.0 109.666 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.521 ' N ' ' CG ' ' A' ' 32' ' ' ASP . 0.9 OUTLIER -51.92 -66.78 0.33 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.172 -0.955 . . . . 10.0 108.82 178.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.834 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -39.69 -30.56 0.08 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.681 -0.637 . . . . 10.0 109.929 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.678 HG23 ' HB3' ' B' ' 38' ' ' PHE . 6.9 t -84.15 -60.03 2.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 O-C-N 121.19 -0.944 . . . . 10.0 110.119 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -50.04 -35.74 26.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.873 . . . . 10.0 110.07 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.444 ' HB2' ' HE1' ' A' ' 33' ' ' PHE . 14.6 t80 -77.37 -63.85 1.28 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.862 . . . . 10.0 110.606 -179.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.681 ' HB3' HG23 ' B' ' 35' ' ' VAL . 10.7 m-85 -58.29 -45.73 87.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 10.0 110.397 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 15.9 m -52.99 -45.66 67.93 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.001 -1.062 . . . . 10.0 109.933 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -68.32 -29.62 68.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 10.0 110.053 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.402 HD12 ' CZ ' ' A' ' 37' ' ' TYR . 1.1 mt -77.51 -27.53 51.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.369 -0.832 . . . . 10.0 110.111 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.31 -45.31 73.33 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.31 -0.869 . . . . 10.0 109.793 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 2.8 mp0 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 10.0 110.135 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' B' ' 12' ' ' THR . 18.3 tp . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.2 0.524 . . . . 10.0 110.174 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 20.1 m -39.83 -72.24 0.07 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 10.0 110.148 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.503 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.8 mm-40 -34.18 -48.63 0.33 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.657 -0.652 . . . . 10.0 110.502 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 1.3 mp -60.21 -78.42 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.272 -0.893 . . . . 10.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' B' ' 14' ' ' LEU . 2.6 mp -43.58 -50.88 7.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.949 . . . . 10.0 109.929 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' B' ' 12' ' ' THR . 1.3 tt0 -48.1 -48.97 33.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.178 -0.951 . . . . 10.0 109.503 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.529 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -47.83 -54.28 11.92 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.922 -1.671 . . . . 10.0 108.922 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.915 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.3 OUTLIER -41.24 -56.06 2.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.399 -1.059 . . . . 10.0 109.794 179.503 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.533 ' O ' ' HB2' ' B' ' 23' B LEU . 0.8 OUTLIER -49.49 -46.3 48.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.388 -0.82 . . . . 10.0 109.74 179.538 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 16.4 t -64.09 -26.7 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.288 -0.883 . . . . 10.0 110.336 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.529 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -89.37 -50.41 6.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.139 -0.975 . . . . 10.0 109.644 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.915 HG23 ' O ' ' B' ' 18' ' ' TYR . 3.4 t -57.68 -36.05 53.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.547 -0.72 . . . . 10.0 109.892 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' B LEU . . . . . 0.533 ' HB2' ' O ' ' B' ' 19' ' ' THR . 0.4 OUTLIER -73.09 -42.68 62.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.201 -0.937 . . . . 10.0 109.707 179.476 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -77.09 -44.4 30.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.398 -0.814 . . . . 10.0 110.025 179.758 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' B' ' 21' ' ' GLU . 9.9 mm100 -82.13 -31.32 30.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 10.0 110.256 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 42.0 56.54 9.95 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.307 -0.87 . . . . 10.0 110.38 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.457 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 43.6 Cg_endo -70.11 159.05 54.51 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 123.991 1.521 . . . . 10.0 110.588 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.79 -33.04 17.28 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 O-C-N 124.052 1.554 . . . . 10.0 110.591 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -138.54 131.45 29.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 10.0 110.139 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.545 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.4 OUTLIER -77.38 -46.77 21.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.249 -0.907 . . . . 10.0 110.192 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.545 ' C ' ' O ' ' B' ' 30' ' ' LEU . 11.5 t -30.87 -68.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.633 -0.667 . . . . 10.0 110.439 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.521 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -51.95 -50.82 60.44 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.427 -0.796 . . . . 10.0 109.593 179.769 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.521 ' N ' ' CG ' ' B' ' 32' ' ' ASP . 0.9 OUTLIER -51.48 -66.71 0.34 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.172 -0.955 . . . . 10.0 108.904 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.821 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -39.72 -30.98 0.09 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.65 -0.656 . . . . 10.0 109.926 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.681 HG23 ' HB3' ' A' ' 38' ' ' PHE . 6.8 t -83.67 -59.44 2.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.177 -0.952 . . . . 10.0 109.971 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -50.98 -35.99 36.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.3 -0.875 . . . . 10.0 110.204 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.458 ' HB2' ' HE1' ' B' ' 33' ' ' PHE . 14.2 t80 -77.09 -63.04 1.46 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 10.0 110.534 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.678 ' HB3' HG23 ' A' ' 35' ' ' VAL . 11.0 m-85 -59.1 -44.9 91.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.194 -0.941 . . . . 10.0 110.465 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.564 ' HA ' HG21 ' A' ' 35' ' ' VAL . 14.4 m -53.06 -45.6 68.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.951 -1.093 . . . . 10.0 109.881 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -68.49 -29.84 68.54 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.349 -0.845 . . . . 10.0 110.176 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -77.48 -27.75 52.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 10.0 110.17 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.338 -0.851 . . . . 10.0 109.756 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.96 HD22 HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.228 0.537 . . . . 10.0 110.078 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' LEU . 6.8 m -44.42 -38.34 3.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 10.0 109.95 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -51.92 61.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.414 -0.804 . . . . 10.0 109.8 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.426 ' HB2' HD23 ' A' ' 11' ' ' LEU . 2.1 mp -62.17 -41.49 98.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.304 -0.872 . . . . 10.0 109.835 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.96 HD13 HD22 ' A' ' 11' ' ' LEU . 1.2 mp -63.15 -53.61 50.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.302 -0.873 . . . . 10.0 110.009 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -39.75 -63.66 0.56 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 10.0 109.707 179.768 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -48.14 -54.54 12.09 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.604 -1.798 . . . . 10.0 108.604 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.931 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -38.2 -62.66 0.55 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.509 -0.995 . . . . 10.0 110.488 179.635 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.07 -33.98 20.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.39 -0.819 . . . . 10.0 110.209 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 85.8 t -77.85 -17.19 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.237 -0.915 . . . . 10.0 110.558 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG3' ' CA ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -94.17 -39.05 10.76 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.137 -0.977 . . . . 10.0 110.058 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.9 t -68.18 -31.53 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.401 -0.812 . . . . 10.0 110.126 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' A LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.41 -32.86 16.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 10.0 110.338 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.557 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -75.69 -68.53 0.56 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.046 -1.034 . . . . 10.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -76.04 -19.74 58.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.403 -0.811 . . . . 10.0 110.213 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 43.14 74.31 0.8 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.183 -0.948 . . . . 10.0 109.953 -179.742 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.26 162.5 41.56 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.101 1.58 . . . . 10.0 110.681 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.51 -55.42 0.19 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 124.017 1.535 . . . . 10.0 110.344 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.472 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 5.5 m-20 -116.38 123.57 47.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.328 -0.858 . . . . 10.0 109.999 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.659 HD23 HG13 ' A' ' 22' ' ' VAL . 1.3 tm? -72.19 -59.27 2.82 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.259 -0.901 . . . . 10.0 110.258 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.533 ' C ' ' O ' ' A' ' 30' ' ' LEU . 21.8 t -34.48 -66.75 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.324 -0.86 . . . . 10.0 110.043 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -51.07 -42.83 60.84 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.6 -0.688 . . . . 10.0 109.872 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.495 ' HB3' ' O ' ' A' ' 30' ' ' LEU . 34.3 t80 -58.63 -51.47 69.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.168 -0.958 . . . . 10.0 109.484 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.931 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -49.79 -36.8 27.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.339 -0.851 . . . . 10.0 109.597 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.565 ' HA ' HG22 ' B' ' 35' ' ' VAL . 4.9 t -82.21 -57.21 4.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.565 -0.71 . . . . 10.0 110.125 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.5 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 3.4 mm-40 -50.2 -42.25 51.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 10.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.407 ' CE2' ' OE2' ' A' ' 21' ' ' GLU . 17.6 t80 -72.01 -65.31 0.79 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 10.0 110.433 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 16.2 m-85 -56.61 -37.93 71.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.146 -0.971 . . . . 10.0 110.471 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.581 ' CA ' HG21 ' B' ' 35' ' ' VAL . 24.1 m -55.29 -41.32 72.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.097 -1.002 . . . . 10.0 110.047 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -71.91 -28.87 63.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.336 -0.852 . . . . 10.0 110.435 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.66 -40.75 95.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.214 -0.929 . . . . 10.0 110.323 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -14.12 5.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 10.0 110.232 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.937 . . . . 10.0 110.265 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.977 HD22 HD13 ' B' ' 15' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.15 0.5 . . . . 10.0 110.161 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.409 ' C ' ' O ' ' B' ' 11' ' ' LEU . 7.0 m -44.77 -37.96 4.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 10.0 109.969 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -52.11 59.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.408 -0.807 . . . . 10.0 109.835 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.431 ' HB2' HD23 ' B' ' 11' ' ' LEU . 2.2 mp -61.91 -41.87 98.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.804 . . . . 10.0 109.848 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.977 HD13 HD22 ' B' ' 11' ' ' LEU . 1.2 mp -62.91 -53.2 57.86 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.33 -0.856 . . . . 10.0 110.05 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' B' ' 15' ' ' LEU . 0.6 OUTLIER -39.94 -63.66 0.58 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 10.0 109.675 179.663 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.52 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -48.12 -54.59 11.9 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 108.616 -1.794 . . . . 10.0 108.616 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.942 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 1.0 OUTLIER -37.97 -62.84 0.52 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.509 -0.995 . . . . 10.0 110.457 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -34.04 19.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.413 -0.804 . . . . 10.0 110.221 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.556 ' O ' ' HB3' ' B' ' 24' ' ' ARG . 81.1 t -77.99 -16.99 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.27 -0.894 . . . . 10.0 110.523 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.581 ' HG3' ' CA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -94.27 -38.89 10.8 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.14 -0.975 . . . . 10.0 110.032 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.86 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.9 t -68.35 -31.35 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 10.0 110.08 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' B LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.35 -33.64 15.99 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.136 -0.977 . . . . 10.0 110.414 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.556 ' HB3' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -75.35 -68.35 0.57 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.137 -0.977 . . . . 10.0 110.416 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -75.74 -20.14 58.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.366 -0.834 . . . . 10.0 110.22 -179.686 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 43.13 74.23 0.81 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.242 -0.911 . . . . 10.0 109.853 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.35 162.58 41.28 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.13 1.595 . . . . 10.0 110.687 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -69.42 -55.31 0.19 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 O-C-N 124.08 1.569 . . . . 10.0 110.34 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.47 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 5.4 m-20 -116.53 123.51 47.6 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 10.0 109.968 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.655 HD23 HG13 ' B' ' 22' ' ' VAL . 1.3 tm? -72.3 -59.07 2.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 10.0 110.323 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.534 ' C ' ' O ' ' B' ' 30' ' ' LEU . 21.7 t -34.32 -66.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.294 -0.879 . . . . 10.0 110.006 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.47 ' OD1' ' O ' ' B' ' 29' ' ' ASP . 0.0 OUTLIER -51.05 -42.95 60.85 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.642 -0.661 . . . . 10.0 109.933 179.726 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.491 ' HB3' ' O ' ' B' ' 30' ' ' LEU . 34.6 t80 -58.58 -51.66 68.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.035 -1.041 . . . . 10.0 109.374 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.942 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -49.62 -37.02 26.27 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.247 -0.908 . . . . 10.0 109.496 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.581 HG21 ' CA ' ' A' ' 39' ' ' THR . 5.1 t -82.16 -57.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.507 -0.746 . . . . 10.0 110.156 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.498 ' O ' ' HD2' ' B' ' 40' ' ' ARG . 3.2 mm-40 -50.32 -42.28 52.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 10.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.411 ' CE2' ' OE2' ' B' ' 21' ' ' GLU . 17.5 t80 -71.93 -65.08 0.81 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.242 -0.911 . . . . 10.0 110.361 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.506 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 16.0 m-85 -56.85 -38.54 72.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.183 -0.948 . . . . 10.0 110.461 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.559 ' CA ' HG21 ' A' ' 35' ' ' VAL . 27.4 m -54.63 -41.32 69.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.066 -1.021 . . . . 10.0 110.048 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.498 ' HD2' ' O ' ' B' ' 36' ' ' GLU . 0.8 OUTLIER -71.69 -29.81 64.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 10.0 110.528 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.92 -40.35 96.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.162 -0.961 . . . . 10.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.16 -0.962 . . . . 10.0 110.281 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.569 HD13 HG11 ' B' ' 22' ' ' VAL . 2.1 tp . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.338 0.59 . . . . 10.0 110.101 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.547 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 1.2 m -55.47 -26.7 43.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.317 -0.864 . . . . 10.0 110.056 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -73.02 -65.42 0.8 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.91 . . . . 10.0 110.355 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.8 HD21 HG22 ' B' ' 31' ' ' VAL . 1.7 mp -53.88 -38.72 65.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.267 -0.896 . . . . 10.0 110.32 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 1.2 mp -66.43 -52.84 42.25 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.178 -0.951 . . . . 10.0 110.12 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -43.48 -48.8 7.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.136 -0.977 . . . . 10.0 109.65 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.547 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -52.97 -59.59 9.18 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.027 -1.629 . . . . 10.0 109.027 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.851 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -42.13 -50.1 4.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.356 -1.084 . . . . 10.0 109.943 179.715 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.766 ' O ' HD23 ' A' ' 23' A LEU . 1.0 OUTLIER -58.73 -28.36 65.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.323 -0.86 . . . . 10.0 109.721 179.701 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.583 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 58.1 t -86.45 -19.33 8.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 120.961 -1.087 . . . . 10.0 110.19 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -95.05 -47.37 6.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.046 -1.034 . . . . 10.0 109.115 179.397 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.75 HG13 HD21 ' A' ' 30' ' ' LEU . 48.3 t -61.28 -39.58 83.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.72 -0.613 . . . . 10.0 109.934 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' A LEU . . . . . 0.766 HD23 ' O ' ' A' ' 19' ' ' THR . 3.0 mm? -86.26 -29.17 23.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.907 . . . . 10.0 110.253 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.583 ' CB ' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -102.49 29.13 5.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.146 -0.971 . . . . 10.0 110.245 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.656 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -178.53 27.72 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 10.0 110.352 179.806 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.656 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -12.85 87.32 0.03 OUTLIER Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.547 -0.721 . . . . 10.0 111.097 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.556 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.5 Cg_endo -69.49 166.58 26.79 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.072 1.564 . . . . 10.0 110.752 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.459 ' O ' ' OD1' ' A' ' 29' ' ' ASP . 43.4 Cg_endo -69.59 -32.49 19.15 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 O-C-N 124.04 1.547 . . . . 10.0 110.559 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 1.1 m-20 -143.61 130.92 20.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.214 -0.929 . . . . 10.0 110.233 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.75 HD21 HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -77.17 -70.05 0.49 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.232 -0.918 . . . . 10.0 110.118 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.829 HG22 HD21 ' B' ' 14' ' ' LEU . 18.9 t -37.46 -64.24 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.273 -0.892 . . . . 10.0 109.427 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.521 ' N ' ' HD2' ' B' ' 42' ' ' ARG . 5.0 t0 -52.08 -44.44 64.34 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.67 -0.643 . . . . 10.0 109.454 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -56.21 -59.54 4.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -0.929 . . . . 10.0 108.955 178.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.851 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -46.68 -30.57 2.42 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.823 -0.751 . . . . 10.0 109.164 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.607 ' O ' ' HB ' ' A' ' 39' ' ' THR . 2.9 t -81.68 -62.09 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.413 -0.805 . . . . 10.0 109.952 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.463 ' HG2' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -46.73 -39.87 12.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.44 -0.788 . . . . 10.0 110.406 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.463 ' N ' ' HG2' ' A' ' 36' ' ' GLU . 74.7 t80 -76.82 -62.01 1.78 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.247 -0.908 . . . . 10.0 110.611 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.606 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 17.7 m-85 -57.77 -44.43 86.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.16 -0.963 . . . . 10.0 110.38 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.607 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 2.4 m -57.29 -48.79 78.02 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.07 -1.019 . . . . 10.0 109.646 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -66.81 -38.17 85.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.363 -0.836 . . . . 10.0 110.15 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -51.78 -42.36 62.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.221 -0.925 . . . . 10.0 109.9 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' B' ' 32' ' ' ASP . 1.8 mmp_? -54.23 -19.96 6.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 10.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.494 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.252 -0.905 . . . . 10.0 109.985 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.566 HD13 HG11 ' A' ' 22' ' ' VAL . 2.1 tp . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.299 0.571 . . . . 10.0 110.027 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.547 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 1.3 m -55.2 -26.48 39.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.302 -0.874 . . . . 10.0 110.17 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -73.39 -65.25 0.84 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 10.0 110.276 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.829 HD21 HG22 ' A' ' 31' ' ' VAL . 1.8 mp -54.17 -38.36 65.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 10.0 110.41 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 1.2 mp -66.64 -52.86 40.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.963 . . . . 10.0 110.157 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -43.59 -48.91 7.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.095 -1.003 . . . . 10.0 109.681 179.79 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.545 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -52.65 -59.71 8.84 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.966 -1.654 . . . . 10.0 108.966 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.84 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.3 OUTLIER -41.92 -50.58 4.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.376 -1.073 . . . . 10.0 109.989 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.756 ' O ' HD23 ' B' ' 23' B LEU . 1.0 OUTLIER -58.38 -28.45 65.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.286 -0.884 . . . . 10.0 109.73 179.646 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.594 ' O ' ' CB ' ' B' ' 24' ' ' ARG . 60.6 t -86.28 -19.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 120.903 -1.123 . . . . 10.0 110.174 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.557 ' O ' ' CG ' ' B' ' 25' ' ' GLN . 0.2 OUTLIER -95.01 -47.49 6.38 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.081 -1.012 . . . . 10.0 109.098 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.738 HG13 HD21 ' B' ' 30' ' ' LEU . 48.9 t -61.05 -39.84 83.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.68 -0.638 . . . . 10.0 110.028 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' B LEU . . . . . 0.756 HD23 ' O ' ' B' ' 19' ' ' THR . 2.8 mm? -86.5 -28.61 23.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 10.0 110.292 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.594 ' CB ' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -102.77 28.93 5.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.238 -0.914 . . . . 10.0 110.26 179.796 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.657 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -178.28 27.85 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.201 -0.937 . . . . 10.0 110.244 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.657 ' C ' ' O ' ' B' ' 25' ' ' GLN . 1.0 OUTLIER -12.96 87.43 0.03 OUTLIER Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.566 -0.708 . . . . 10.0 111.086 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.558 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 43.1 Cg_endo -69.6 166.53 27.1 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 O-C-N 124.101 1.579 . . . . 10.0 110.73 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.457 ' O ' ' OD1' ' B' ' 29' ' ' ASP . 43.1 Cg_endo -69.57 -32.96 18.29 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.034 1.544 . . . . 10.0 110.633 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' B' ' 33' ' ' PHE . 1.1 m-20 -143.21 131.12 21.59 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.19 -0.944 . . . . 10.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.738 HD21 HG13 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -77.12 -70.24 0.48 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.217 -0.927 . . . . 10.0 110.154 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.8 HG22 HD21 ' A' ' 14' ' ' LEU . 21.0 t -37.35 -64.23 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.135 -0.978 . . . . 10.0 109.386 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 5.0 t0 -51.98 -44.64 64.12 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.753 -0.592 . . . . 10.0 109.429 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' B' ' 33' ' ' PHE . 0.6 OUTLIER -56.06 -59.82 4.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.273 -0.892 . . . . 10.0 108.913 179.025 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.84 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -46.75 -30.36 2.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.393 -0.817 . . . . 10.0 109.245 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.606 ' O ' ' HB ' ' B' ' 39' ' ' THR . 2.9 t -81.65 -62.1 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.397 -0.814 . . . . 10.0 109.902 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -46.92 -40.13 13.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.358 -0.839 . . . . 10.0 110.386 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.471 ' N ' ' HG2' ' B' ' 36' ' ' GLU . 75.0 t80 -76.43 -62.41 1.63 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 10.0 110.555 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 17.8 m-85 -57.42 -43.99 84.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.121 -0.987 . . . . 10.0 110.374 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.606 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 2.4 m -57.56 -49.52 76.11 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.864 -1.148 . . . . 10.0 109.608 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -66.05 -38.85 89.38 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.395 -0.816 . . . . 10.0 110.258 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' B' ' 41' ' ' LEU . 0.0 OUTLIER -51.23 -41.94 60.66 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.2 -0.937 . . . . 10.0 109.914 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.521 ' HD2' ' N ' ' A' ' 32' ' ' ASP . 1.7 mmp_? . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.138 -0.976 . . . . 10.0 110.282 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 12' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.252 0.549 . . . . 10.0 110.266 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' LEU . 57.9 m -39.78 -80.56 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.359 -0.838 . . . . 10.0 110.452 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.4 mp0 -39.38 -48.96 1.98 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.451 -0.781 . . . . 10.0 110.422 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.08 -40.89 86.63 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.264 -0.898 . . . . 10.0 110.281 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 15' ' ' LEU . 19.9 mt -65.67 -65.94 0.61 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.148 -0.97 . . . . 10.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.704 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.2 mt-30 -39.76 -45.28 1.71 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.3 -0.875 . . . . 10.0 110.12 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' HG2' ' A' ' 21' ' ' GLU . . . -53.91 -47.72 64.89 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.437 -1.465 . . . . 10.0 109.437 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.665 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -71.41 -57.33 4.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.13 -1.217 . . . . 10.0 109.61 179.772 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.524 ' N ' ' CG ' ' A' ' 18' ' ' TYR . 1.8 m -51.08 -26.98 7.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 10.0 109.436 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 16' ' ' GLN . 10.2 t -73.4 -31.15 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.414 -0.804 . . . . 10.0 110.005 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.665 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.2 mt-10 -74.6 -32.97 62.52 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.232 -0.918 . . . . 10.0 109.695 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.5 t -70.97 -42.07 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.546 -0.721 . . . . 10.0 109.965 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' A LEU . . . . . 0.543 HD12 ' N ' ' A' ' 23' A LEU . 10.8 mp -80.7 -8.12 59.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 10.0 109.784 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.64 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 2.1 tpt180 -100.38 -35.0 9.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -0.81 . . . . 10.0 109.907 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.2 pt20 -114.09 -15.87 12.2 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.257 -0.902 . . . . 10.0 110.392 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 42.59 78.82 0.36 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.166 -0.959 . . . . 10.0 110.061 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD3' ' HG2' ' A' ' 25' ' ' GLN . 42.8 Cg_endo -69.27 170.98 14.75 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 124.032 1.543 . . . . 10.0 110.685 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.32 -22.85 33.49 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 O-C-N 124.075 1.566 . . . . 10.0 110.469 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -150.28 124.68 9.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.368 -0.833 . . . . 10.0 110.009 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -82.34 -65.55 1.0 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 10.0 110.249 -179.778 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.547 ' C ' ' O ' ' A' ' 30' ' ' LEU . 9.8 t -32.02 -60.47 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.33 -0.856 . . . . 10.0 110.147 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.484 ' OD1' ' NH2' ' B' ' 42' ' ' ARG . 4.3 t0 -63.03 -43.4 98.82 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.594 -0.692 . . . . 10.0 110.245 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' LEU . 73.4 t80 -63.48 -44.66 93.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.157 -0.964 . . . . 10.0 109.78 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.76 -28.95 69.81 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.388 -0.82 . . . . 10.0 110.057 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.555 HG21 ' CA ' ' B' ' 39' ' ' THR . 2.4 t -83.47 -48.06 17.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 121.417 -0.802 . . . . 10.0 110.063 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -51.62 -33.93 35.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.327 -0.858 . . . . 10.0 109.842 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.606 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 4.0 t80 -72.69 -63.87 1.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 10.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.476 ' CE1' ' CE2' ' A' ' 37' ' ' TYR . 23.1 m-85 -58.85 -51.14 71.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.23 -0.919 . . . . 10.0 110.041 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.519 ' CA ' HG21 ' B' ' 35' ' ' VAL . 90.6 m -48.62 -43.9 36.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 10.0 109.868 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -76.45 -24.7 53.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.274 -0.891 . . . . 10.0 109.78 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -53.37 -40.72 65.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.333 -0.854 . . . . 10.0 109.922 179.74 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -50.49 -24.83 3.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.386 -0.821 . . . . 10.0 110.432 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.287 -0.883 . . . . 10.0 109.89 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.496 HD11 ' OG1' ' A' ' 19' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.165 0.507 . . . . 10.0 110.28 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.45 ' O ' ' C ' ' B' ' 13' ' ' GLU . 53.2 m -39.86 -80.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.285 -0.885 . . . . 10.0 110.519 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.4 mp0 -39.38 -48.97 1.98 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.424 -0.797 . . . . 10.0 110.416 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.1 -40.9 86.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.272 -0.893 . . . . 10.0 110.289 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' B' ' 15' ' ' LEU . 19.6 mt -65.33 -66.55 0.53 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.246 -0.909 . . . . 10.0 110.306 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.708 ' O ' HG23 ' B' ' 20' ' ' VAL . 1.2 mt-30 -39.33 -45.89 1.5 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 10.0 110.251 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.523 ' O ' ' HG2' ' B' ' 21' ' ' GLU . . . -53.17 -47.83 60.25 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.472 -1.451 . . . . 10.0 109.472 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.678 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -71.49 -57.2 4.64 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.086 -1.244 . . . . 10.0 109.642 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.517 ' N ' ' CG ' ' B' ' 18' ' ' TYR . 1.9 m -51.42 -26.08 7.37 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.257 -0.902 . . . . 10.0 109.472 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.708 HG23 ' O ' ' B' ' 16' ' ' GLN . 10.8 t -74.17 -31.01 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.427 -0.796 . . . . 10.0 110.024 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.678 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.2 mt-10 -74.77 -32.75 62.13 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.198 -0.939 . . . . 10.0 109.753 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.568 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.5 t -71.04 -42.09 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.575 -0.703 . . . . 10.0 109.947 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' B LEU . . . . . 0.543 HD12 ' N ' ' B' ' 23' B LEU . 10.7 mp -80.55 -8.52 59.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.871 . . . . 10.0 109.88 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.64 ' HB3' ' O ' ' B' ' 20' ' ' VAL . 2.0 tpt180 -100.03 -34.87 9.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.353 -0.842 . . . . 10.0 109.951 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.0 pt20 -114.18 -15.97 12.14 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.207 -0.933 . . . . 10.0 110.482 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 42.63 78.96 0.35 Allowed Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 10.0 110.105 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.4 ' HD3' ' HG2' ' B' ' 25' ' ' GLN . 43.3 Cg_endo -69.39 170.92 15.03 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 O-C-N 124.056 1.556 . . . . 10.0 110.597 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.23 -23.35 33.32 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.032 1.543 . . . . 10.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -149.69 124.78 10.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.319 -0.863 . . . . 10.0 109.915 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.543 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.3 OUTLIER -82.23 -65.91 0.95 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.208 -0.932 . . . . 10.0 110.208 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.543 ' C ' ' O ' ' B' ' 30' ' ' LEU . 7.1 t -31.95 -60.62 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.341 -0.849 . . . . 10.0 110.149 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -62.57 -43.04 99.8 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.549 -0.72 . . . . 10.0 110.187 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 30' ' ' LEU . 73.3 t80 -64.05 -43.69 94.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.165 -0.959 . . . . 10.0 109.847 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.68 -28.98 70.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 10.0 109.982 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.519 HG21 ' CA ' ' A' ' 39' ' ' THR . 2.4 t -83.18 -47.48 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 121.299 -0.875 . . . . 10.0 110.066 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.36 -34.27 46.84 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.287 -0.883 . . . . 10.0 109.903 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.603 ' CD2' ' HB2' ' B' ' 18' ' ' TYR . 4.2 t80 -72.44 -63.52 1.14 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 10.0 110.132 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.474 ' CE1' ' CE2' ' B' ' 37' ' ' TYR . 23.1 m-85 -59.25 -50.62 73.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.198 -0.939 . . . . 10.0 110.118 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.555 ' CA ' HG21 ' A' ' 35' ' ' VAL . 88.6 m -48.81 -45.39 40.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.216 -0.928 . . . . 10.0 109.799 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -75.25 -23.94 57.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.325 -0.859 . . . . 10.0 109.728 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.487 HD13 ' O ' ' B' ' 41' ' ' LEU . 0.4 OUTLIER -54.14 -41.89 68.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.307 -0.871 . . . . 10.0 109.945 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.484 ' NH2' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 O-C-N 121.176 -0.953 . . . . 10.0 110.278 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.486 HD13 ' HG ' ' B' ' 30' ' ' LEU . 14.1 tp . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.177 0.513 . . . . 10.0 110.449 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 14.0 m -56.47 -77.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.248 -0.907 . . . . 10.0 110.197 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.0 tt0 -35.53 -41.53 0.2 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.566 -0.708 . . . . 10.0 110.71 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.15 -64.11 0.94 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.215 -0.928 . . . . 10.0 110.46 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 HD22 ' B' ' 15' ' ' LEU . 72.6 mt -66.15 -40.74 90.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.233 -0.917 . . . . 10.0 110.437 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 12' ' ' THR . 1.1 tt0 -59.23 -60.25 4.16 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.013 -1.054 . . . . 10.0 109.416 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.513 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -46.65 -31.31 5.13 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 108.994 -1.642 . . . . 10.0 108.994 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.721 ' OH ' ' HA ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -62.46 -61.25 2.57 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.291 -1.123 . . . . 10.0 110.255 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 23' A LEU . 0.4 OUTLIER -42.96 -30.19 0.39 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.223 -0.923 . . . . 10.0 109.826 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.537 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 6.1 t -75.26 -29.64 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.293 -0.879 . . . . 10.0 110.155 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -91.19 -59.58 2.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.17 -0.956 . . . . 10.0 109.575 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.865 HG22 ' CE2' ' A' ' 33' ' ' PHE . 4.1 t -48.6 -39.19 10.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.616 -0.677 . . . . 10.0 109.896 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' A LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 19' ' ' THR . 16.7 tp -72.8 -50.65 22.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.864 . . . . 10.0 110.427 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.537 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -62.6 -58.3 8.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 10.0 110.544 -179.752 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.535 ' HG3' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -76.53 -22.33 54.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 10.0 110.638 -179.541 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.535 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 1.2 mt-30 41.84 82.26 0.23 Allowed Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.151 -0.968 . . . . 10.0 110.372 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.87 164.5 34.4 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 O-C-N 123.94 1.495 . . . . 10.0 110.439 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.47 -25.82 29.54 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.011 1.532 . . . . 10.0 110.437 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.03 130.39 4.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.923 . . . . 10.0 110.109 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.767 ' CD1' ' HB2' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -63.43 -60.07 3.85 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.214 -0.929 . . . . 10.0 110.436 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 35' ' ' VAL . 11.5 t -26.63 -61.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.51 -0.744 . . . . 10.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.47 ' OD1' ' HD3' ' B' ' 42' ' ' ARG . 0.4 OUTLIER -63.99 -52.91 57.37 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.567 -0.708 . . . . 10.0 110.131 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.865 ' CE2' HG22 ' A' ' 22' ' ' VAL . 89.8 t80 -54.56 -42.45 71.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.272 -0.893 . . . . 10.0 109.81 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.767 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . . . -54.98 -42.45 72.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 10.0 109.824 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 31' ' ' VAL . 44.6 t -70.69 -53.42 22.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.363 -0.836 . . . . 10.0 110.648 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -48.9 -57.02 7.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 10.0 110.856 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.509 ' CG ' ' HE1' ' A' ' 18' ' ' TYR . 79.7 t80 -57.46 -74.42 0.06 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.94 . . . . 10.0 110.747 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.757 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 24.0 m-85 -47.24 -56.31 6.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 10.0 110.774 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.557 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 54.4 m -42.77 -56.72 3.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.092 -1.005 . . . . 10.0 110.24 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.5 mtt85 -58.98 -26.07 64.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.212 -0.93 . . . . 10.0 109.973 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.486 ' HB3' HG13 ' B' ' 31' ' ' VAL . 9.2 tp -75.39 -22.81 57.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 10.0 109.992 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -81.65 -14.95 56.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.342 -0.849 . . . . 10.0 110.015 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.213 -0.929 . . . . 10.0 110.518 -179.83 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.421 HD13 ' HG ' ' A' ' 30' ' ' LEU . 14.0 tp . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.143 0.497 . . . . 10.0 110.392 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' B' ' 16' ' ' GLN . 12.1 m -56.01 -78.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 10.0 110.167 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.0 tt0 -35.43 -41.89 0.2 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.585 -0.697 . . . . 10.0 110.713 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 2.9 mp -64.68 -64.0 0.98 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 10.0 110.43 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.453 HD22 HD22 ' A' ' 15' ' ' LEU . 74.3 mt -66.16 -41.12 90.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.933 . . . . 10.0 110.498 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' B' ' 12' ' ' THR . 1.1 tt0 -58.77 -60.49 3.75 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.012 -1.055 . . . . 10.0 109.549 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.507 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -46.4 -31.31 4.77 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.995 -1.642 . . . . 10.0 108.995 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.704 ' OH ' ' HA ' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -62.43 -61.22 2.59 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.293 -1.122 . . . . 10.0 110.281 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' B' ' 23' B LEU . 0.4 OUTLIER -42.94 -30.11 0.38 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.184 -0.948 . . . . 10.0 109.816 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.532 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 5.4 t -75.34 -29.92 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.267 -0.896 . . . . 10.0 110.213 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.55 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.9 OUTLIER -90.97 -59.24 2.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.168 -0.957 . . . . 10.0 109.525 179.772 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.865 HG22 ' CE2' ' B' ' 33' ' ' PHE . 4.0 t -49.03 -38.92 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.675 -0.64 . . . . 10.0 109.943 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' B LEU . . . . . 0.429 ' HB2' ' O ' ' B' ' 19' ' ' THR . 17.1 tp -73.11 -51.14 19.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.257 -0.902 . . . . 10.0 110.378 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -62.04 -58.13 9.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.131 -0.98 . . . . 10.0 110.67 -179.719 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.539 ' HG3' ' N ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -76.69 -22.4 54.0 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.185 -0.947 . . . . 10.0 110.637 -179.605 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.539 ' N ' ' HG3' ' B' ' 25' ' ' GLN . 1.2 mt-30 41.97 82.4 0.23 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.211 -0.931 . . . . 10.0 110.294 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -69.96 164.29 35.29 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 124.04 1.547 . . . . 10.0 110.475 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.42 -24.97 30.63 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 O-C-N 123.983 1.517 . . . . 10.0 110.528 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.96 130.54 4.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.362 -0.836 . . . . 10.0 110.031 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.759 ' CD1' ' HB2' ' B' ' 34' ' ' ALA . 0.6 OUTLIER -63.71 -60.56 3.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.909 . . . . 10.0 110.392 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.627 ' O ' HG23 ' B' ' 35' ' ' VAL . 10.9 t -26.03 -60.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.55 -0.719 . . . . 10.0 110.39 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.54 -52.7 56.37 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.542 -0.724 . . . . 10.0 110.123 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.865 ' CE2' HG22 ' B' ' 22' ' ' VAL . 89.6 t80 -54.71 -42.15 71.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.944 . . . . 10.0 109.688 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.759 ' HB2' ' CD1' ' B' ' 30' ' ' LEU . . . -55.05 -43.12 73.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.33 -0.856 . . . . 10.0 109.75 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.627 HG23 ' O ' ' B' ' 31' ' ' VAL . 42.8 t -70.22 -53.5 22.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.316 -0.865 . . . . 10.0 110.659 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -48.79 -57.89 5.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.208 -0.932 . . . . 10.0 110.967 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.512 ' CG ' ' HE1' ' B' ' 18' ' ' TYR . 78.9 t80 -56.63 -74.15 0.05 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.189 -0.944 . . . . 10.0 110.823 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.765 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 24.1 m-85 -47.59 -56.19 7.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.29 -0.881 . . . . 10.0 110.859 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.558 ' CB ' ' O ' ' B' ' 35' ' ' VAL . 54.5 m -42.66 -56.64 3.06 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.146 -0.971 . . . . 10.0 110.237 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -59.09 -25.63 63.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.17 -0.956 . . . . 10.0 110.033 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.62 ' HB3' HG13 ' A' ' 31' ' ' VAL . 9.3 tp -75.87 -22.85 55.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.21 -0.931 . . . . 10.0 109.965 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.47 ' HD3' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.324 -0.86 . . . . 10.0 109.979 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 120.971 0.415 . . . . 10.0 110.397 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 18.8 m -35.62 -62.22 0.42 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.453 -0.779 . . . . 10.0 110.196 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.5 tt0 -41.36 -49.77 3.79 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.487 -0.758 . . . . 10.0 110.292 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.511 HD21 HG22 ' B' ' 31' ' ' VAL . 2.6 mp -56.09 -68.24 0.22 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.203 -0.935 . . . . 10.0 110.424 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.642 HD13 HD21 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -57.74 -58.42 8.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.19 -0.944 . . . . 10.0 110.391 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HB2' ' O ' ' A' ' 12' ' ' THR . 2.7 tt0 -40.56 -43.92 1.98 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.167 -0.958 . . . . 10.0 109.815 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -52.3 -60.77 7.31 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 108.796 -1.722 . . . . 10.0 108.796 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.804 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -39.0 -56.3 1.43 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.499 -1.001 . . . . 10.0 110.138 179.465 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -47.76 -40.03 19.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.469 -0.769 . . . . 10.0 110.351 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.805 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 99.1 t -77.35 -20.69 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.183 -0.948 . . . . 10.0 110.751 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -92.72 -52.1 4.78 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.857 -1.152 . . . . 10.0 109.899 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 18' ' ' TYR . 3.1 t -59.72 -28.73 41.18 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.623 -0.673 . . . . 10.0 110.049 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' A LEU . . . . . . . . . . . . . 13.9 tp -88.81 -31.45 18.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 10.0 110.095 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.805 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -96.88 35.46 1.54 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 10.0 110.387 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.545 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 2.6 pt20 -175.08 -34.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 10.0 110.465 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER 40.97 79.94 0.3 Allowed Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.359 -0.838 . . . . 10.0 110.224 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.66 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -70.44 170.72 16.72 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 O-C-N 124.025 1.539 . . . . 10.0 110.684 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.83 -24.68 29.07 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 O-C-N 124.02 1.537 . . . . 10.0 110.467 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -142.19 132.04 24.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 10.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.575 ' CD1' ' HG ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -86.0 -67.85 0.78 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.206 -0.934 . . . . 10.0 110.277 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.542 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.7 t -34.04 -66.4 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.312 -0.867 . . . . 10.0 109.706 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD2' ' HD3' ' B' ' 42' ' ' ARG . 5.3 t0 -50.51 -44.04 55.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.674 -0.641 . . . . 10.0 109.527 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.66 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 0.7 OUTLIER -57.06 -63.06 1.34 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.229 -0.919 . . . . 10.0 109.057 178.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.804 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -44.84 -29.95 0.89 Allowed 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.511 -0.743 . . . . 10.0 109.84 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.66 HG21 ' HA ' ' B' ' 39' ' ' THR . 2.7 t -81.26 -52.77 13.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.338 -0.851 . . . . 10.0 109.764 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.5 mm-40 -53.12 -45.15 68.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.363 -0.835 . . . . 10.0 110.276 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -64.89 -70.35 0.24 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 10.0 110.579 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.548 ' HB3' HG23 ' B' ' 35' ' ' VAL . 19.2 m-85 -53.19 -48.17 68.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.262 -0.899 . . . . 10.0 110.531 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.596 ' HA ' HG21 ' B' ' 35' ' ' VAL . 37.2 m -51.17 -48.4 61.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.045 -1.034 . . . . 10.0 109.934 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -65.08 -23.53 67.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.251 -0.906 . . . . 10.0 109.926 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' A' ' 41' ' ' LEU . 6.8 tp -72.77 -28.4 62.58 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.29 -0.881 . . . . 10.0 110.153 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.39 -21.37 65.61 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.16 -0.963 . . . . 10.0 110.1 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.259 -0.901 . . . . 10.0 110.33 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.717 ' O ' HD23 ' B' ' 11' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.052 0.453 . . . . 10.0 110.375 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.535 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 18.6 m -34.7 -62.77 0.34 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.371 -0.831 . . . . 10.0 110.295 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.2 tt0 -40.76 -50.15 3.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.517 -0.74 . . . . 10.0 110.291 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.522 HD21 HG22 ' A' ' 31' ' ' VAL . 2.5 mp -55.86 -69.39 0.14 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.336 -0.852 . . . . 10.0 110.429 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.682 HD13 HD21 ' B' ' 11' ' ' LEU . 0.8 OUTLIER -56.56 -58.36 8.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.18 -0.95 . . . . 10.0 110.349 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.7 tt0 -40.64 -44.25 2.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.195 -0.941 . . . . 10.0 109.906 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.492 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -52.31 -60.23 7.99 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.732 -1.747 . . . . 10.0 108.732 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.805 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.9 OUTLIER -39.23 -56.63 1.48 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.457 -1.026 . . . . 10.0 110.153 179.522 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -47.69 -39.33 17.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.473 -0.767 . . . . 10.0 110.283 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.82 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 93.2 t -77.64 -21.15 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 10.0 110.714 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.566 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -92.41 -51.54 5.09 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.836 -1.165 . . . . 10.0 109.971 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 18' ' ' TYR . 3.3 t -60.04 -30.68 46.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.549 -0.719 . . . . 10.0 110.164 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' B LEU . . . . . . . . . . . . . 13.0 tp -87.57 -30.7 20.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.232 -0.918 . . . . 10.0 110.218 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.82 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -97.14 35.36 1.6 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.088 -1.007 . . . . 10.0 110.39 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.541 ' CG ' ' HD3' ' B' ' 27' ' ' PRO . 2.5 pt20 -175.26 -33.75 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.173 -0.954 . . . . 10.0 110.415 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.1 OUTLIER 40.9 79.9 0.3 Allowed Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.335 -0.853 . . . . 10.0 110.207 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.66 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 44.3 Cg_endo -70.41 170.67 16.78 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 O-C-N 124.026 1.54 . . . . 10.0 110.605 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.98 -24.32 28.82 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 O-C-N 123.994 1.523 . . . . 10.0 110.507 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -142.51 131.84 23.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.873 . . . . 10.0 110.208 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.568 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 0.4 OUTLIER -85.88 -67.84 0.78 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.272 -0.892 . . . . 10.0 110.23 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.539 ' C ' ' O ' ' B' ' 30' ' ' LEU . 13.9 t -34.25 -66.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.324 -0.86 . . . . 10.0 109.736 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -50.51 -43.75 55.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.582 -0.699 . . . . 10.0 109.562 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.66 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 0.8 OUTLIER -57.27 -63.03 1.36 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 10.0 108.986 178.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.805 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -44.66 -30.28 0.9 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.497 -0.752 . . . . 10.0 109.786 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.596 HG21 ' HA ' ' A' ' 39' ' ' THR . 2.7 t -81.07 -52.69 13.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.249 -0.907 . . . . 10.0 109.819 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 1.4 mm-40 -53.08 -45.57 68.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.855 . . . . 10.0 110.4 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -64.57 -70.23 0.24 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 10.0 110.564 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.561 ' HB3' HG23 ' A' ' 35' ' ' VAL . 19.6 m-85 -53.28 -48.04 68.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 10.0 110.546 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.66 ' HA ' HG21 ' A' ' 35' ' ' VAL . 40.1 m -51.04 -48.48 61.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.972 -1.08 . . . . 10.0 109.827 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -65.02 -23.61 67.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.364 -0.835 . . . . 10.0 110.019 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' B' ' 41' ' ' LEU . 6.8 tp -72.65 -28.07 62.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.347 -0.846 . . . . 10.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.504 ' HD3' ' OD2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 10.0 110.081 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 11' ' ' LEU . 6.6 tp . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 121.333 0.587 . . . . 10.0 110.083 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 11' ' ' LEU . 1.3 m -41.32 -26.73 0.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 10.0 110.09 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' LEU . 33.6 tp10 -68.32 -66.01 0.62 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.236 -0.915 . . . . 10.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 mt -44.77 -42.67 7.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.233 -0.917 . . . . 10.0 110.21 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.055 HD23 HD23 ' B' ' 15' ' ' LEU . 3.0 tm? -61.34 -71.82 0.13 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.209 -0.932 . . . . 10.0 110.221 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.725 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.3 mt-30 -38.36 -29.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.406 -0.809 . . . . 10.0 110.016 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.572 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -79.9 -43.23 10.11 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.315 -1.514 . . . . 10.0 109.315 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.744 ' HD2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -70.23 -40.7 74.33 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.141 -1.211 . . . . 10.0 109.766 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.512 ' O ' HD22 ' A' ' 23' A LEU . 1.9 m -66.77 -31.99 73.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.071 -1.018 . . . . 10.0 109.732 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 16' ' ' GLN . 17.7 t -69.12 -26.15 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.264 -0.898 . . . . 10.0 109.999 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.592 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -75.13 -31.05 60.98 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.224 -0.922 . . . . 10.0 109.284 179.353 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.892 HG11 HD13 ' A' ' 30' ' ' LEU . 1.6 t -76.49 -22.13 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.633 -0.667 . . . . 10.0 110.413 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' A LEU . . . . . 0.512 HD22 ' O ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -89.82 -25.77 20.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.23 -0.919 . . . . 10.0 110.469 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.61 -14.85 41.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.897 . . . . 10.0 110.167 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.483 ' NE2' ' CE2' ' A' ' 33' ' ' PHE . 5.5 pt20 -126.58 -33.75 2.51 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.184 -0.947 . . . . 10.0 110.112 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 25' ' ' GLN . 1.2 mt-30 51.06 78.05 0.42 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.354 -0.841 . . . . 10.0 110.575 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.467 ' HG3' ' CG ' ' A' ' 33' ' ' PHE . 44.6 Cg_endo -70.29 166.72 27.33 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 O-C-N 123.958 1.504 . . . . 10.0 110.485 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.57 -5.19 15.5 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.994 1.523 . . . . 10.0 110.221 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.527 ' OD2' ' CB ' ' A' ' 32' ' ' ASP . 19.3 p-10 -165.66 126.57 1.88 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.823 . . . . 10.0 109.817 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.892 HD13 HG11 ' A' ' 22' ' ' VAL . 42.3 tp -79.04 -71.15 0.46 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.137 -0.977 . . . . 10.0 110.781 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 30' ' ' LEU . 18.4 t -21.35 -61.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 CA-C-O 121.698 0.761 . . . . 10.0 110.508 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.556 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -63.07 -50.8 69.15 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.62 -0.675 . . . . 10.0 110.021 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.695 ' CE1' HG22 ' A' ' 22' ' ' VAL . 35.4 t80 -55.87 -50.2 71.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.897 -1.127 . . . . 10.0 109.178 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.05 -30.52 2.74 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.386 -0.821 . . . . 10.0 109.506 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.685 HG13 ' OG1' ' A' ' 39' ' ' THR . 2.8 t -78.69 -51.65 16.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 O-C-N 121.478 -0.764 . . . . 10.0 109.566 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -46.41 -36.21 6.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.246 -0.909 . . . . 10.0 109.758 179.658 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.574 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 28.3 t80 -71.01 -66.12 0.65 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.925 . . . . 10.0 110.038 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.505 ' HB3' HG23 ' B' ' 35' ' ' VAL . 35.1 m-85 -60.77 -50.23 74.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.217 -0.927 . . . . 10.0 109.958 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.685 ' OG1' HG13 ' A' ' 35' ' ' VAL . 51.5 m -48.91 -40.22 29.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.297 -0.877 . . . . 10.0 109.783 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.484 ' HA ' ' OE1' ' A' ' 43' ' ' GLU . 3.1 ttp85 -83.05 -25.15 32.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.353 -0.842 . . . . 10.0 109.988 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.551 HD23 HG13 ' B' ' 31' ' ' VAL . 11.3 tp -50.5 -55.53 15.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 10.0 110.037 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.531 ' CG ' ' O ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -37.2 -40.37 0.32 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.259 -0.901 . . . . 10.0 109.615 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.484 ' OE1' ' HA ' ' A' ' 40' ' ' ARG . 1.5 mt-10 . . . . . 0 N--CA 1.489 1.48 0 O-C-N 121.479 -0.763 . . . . 10.0 109.679 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.55 ' O ' HD12 ' B' ' 11' ' ' LEU . 6.2 tp . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.21 0.529 . . . . 10.0 110.009 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.428 ' C ' ' O ' ' B' ' 11' ' ' LEU . 1.3 m -40.95 -26.87 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.278 -0.889 . . . . 10.0 110.016 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' LEU . 33.2 tp10 -68.23 -65.9 0.64 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.261 -0.899 . . . . 10.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 13' ' ' GLU . 54.3 mt -44.86 -42.24 7.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 10.0 110.129 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 1.055 HD23 HD23 ' A' ' 15' ' ' LEU . 3.0 tm? -61.41 -71.83 0.14 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.249 -0.907 . . . . 10.0 110.181 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.719 ' O ' HG23 ' B' ' 20' ' ' VAL . 1.5 mt-30 -38.71 -28.74 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.423 -0.798 . . . . 10.0 110.024 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.569 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -80.07 -43.62 9.63 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.357 -1.497 . . . . 10.0 109.357 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.679 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.0 OUTLIER -70.32 -40.14 74.36 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.192 -1.181 . . . . 10.0 109.759 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.53 HG23 HD23 ' A' ' 11' ' ' LEU . 2.0 m -67.19 -32.15 73.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.124 -0.985 . . . . 10.0 109.643 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.719 HG23 ' O ' ' B' ' 16' ' ' GLN . 16.8 t -68.92 -26.38 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.358 -0.839 . . . . 10.0 110.075 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.591 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.7 OUTLIER -74.9 -31.32 61.54 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.168 -0.958 . . . . 10.0 109.236 179.397 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.899 HG11 HD13 ' B' ' 30' ' ' LEU . 1.6 t -76.33 -21.92 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.591 -0.693 . . . . 10.0 110.413 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' B LEU . . . . . 0.513 HD22 ' O ' ' B' ' 19' ' ' THR . 0.1 OUTLIER -89.92 -25.96 20.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.13 -0.981 . . . . 10.0 110.401 -179.761 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -14.92 41.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.107 -0.995 . . . . 10.0 110.181 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.489 ' NE2' ' CE2' ' B' ' 33' ' ' PHE . 5.5 pt20 -126.4 -33.73 2.55 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.205 -0.934 . . . . 10.0 110.123 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' B' ' 25' ' ' GLN . 1.2 mt-30 50.95 78.2 0.41 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.39 -0.819 . . . . 10.0 110.524 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.473 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 44.0 Cg_endo -70.41 166.55 28.04 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 O-C-N 123.891 1.469 . . . . 10.0 110.445 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.62 -4.93 14.92 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 124.039 1.547 . . . . 10.0 110.282 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.528 ' OD2' ' CB ' ' B' ' 32' ' ' ASP . 19.4 p-10 -165.7 126.03 1.8 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.468 -0.77 . . . . 10.0 109.795 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.899 HD13 HG11 ' B' ' 22' ' ' VAL . 41.1 tp -78.6 -71.18 0.45 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 10.0 110.673 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.601 ' C ' ' O ' ' B' ' 30' ' ' LEU . 18.1 t -21.37 -61.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.561 -0.712 . . . . 10.0 110.457 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.556 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 0.6 OUTLIER -63.08 -50.69 69.58 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.75 -0.594 . . . . 10.0 110.061 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.697 ' CE1' HG22 ' B' ' 22' ' ' VAL . 35.4 t80 -55.98 -50.17 71.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.965 -1.084 . . . . 10.0 109.2 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.11 -30.41 2.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.394 -0.816 . . . . 10.0 109.506 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.687 HG13 ' OG1' ' B' ' 39' ' ' THR . 3.0 t -78.89 -51.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 O-C-N 121.33 -0.856 . . . . 10.0 109.69 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -46.43 -36.02 6.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 10.0 109.734 179.624 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.575 ' CD1' ' OE2' ' B' ' 21' ' ' GLU . 29.1 t80 -71.21 -66.24 0.64 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.328 -0.857 . . . . 10.0 110.073 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.53 ' HB3' HG23 ' A' ' 35' ' ' VAL . 34.4 m-85 -60.69 -50.47 73.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.272 -0.892 . . . . 10.0 109.874 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.687 ' OG1' HG13 ' B' ' 35' ' ' VAL . 56.1 m -48.87 -39.7 26.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.275 -0.891 . . . . 10.0 109.892 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 3.3 ttp85 -83.31 -25.42 31.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.33 -0.856 . . . . 10.0 109.836 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.567 HD23 HG13 ' A' ' 31' ' ' VAL . 11.1 tp -49.94 -55.83 13.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.297 -0.877 . . . . 10.0 109.986 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.525 ' C ' ' O ' ' B' ' 41' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 O-C-N 121.356 -0.84 . . . . 10.0 109.579 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.328 0.585 . . . . 10.0 110.156 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 13' ' ' GLU . 1.8 m -61.71 -66.31 0.56 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 10.0 110.35 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.7 pt-20 -35.2 -48.85 0.46 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.591 -0.693 . . . . 10.0 110.691 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.728 HD12 HD23 ' B' ' 30' ' ' LEU . 1.0 OUTLIER -55.71 -62.42 1.7 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.202 -0.936 . . . . 10.0 110.126 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' GLN . 11.9 mt -64.74 -56.63 12.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 10.0 110.155 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.8 tt0 -42.27 -57.98 2.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.224 -0.922 . . . . 10.0 109.829 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -46.41 -50.41 13.64 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.753 -1.739 . . . . 10.0 108.753 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.617 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.6 OUTLIER -41.96 -63.07 0.79 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.338 -1.095 . . . . 10.0 109.946 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -47.24 -24.84 0.8 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.429 -0.795 . . . . 10.0 110.128 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' GLY . 16.4 t -89.66 -33.8 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.243 -0.91 . . . . 10.0 110.438 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.617 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.82 -44.41 55.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.097 -1.002 . . . . 10.0 108.897 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' A' ' 26' ' ' GLN . 16.8 t -63.36 -52.64 55.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.878 -0.514 . . . . 10.0 110.026 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' A LEU . . . . . 0.549 ' HB2' ' O ' ' A' ' 19' ' ' THR . 2.1 tp -55.62 -27.05 47.49 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.222 -0.923 . . . . 10.0 109.933 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -65.95 -13.43 59.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.373 -0.829 . . . . 10.0 110.239 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.566 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -158.55 14.44 0.19 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.201 -0.937 . . . . 10.0 110.741 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.566 ' C ' ' O ' ' A' ' 25' ' ' GLN . 49.2 mt-30 26.24 55.9 0.4 Allowed Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.389 -0.819 . . . . 10.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.491 ' HD3' ' HG3' ' A' ' 25' ' ' GLN . 44.3 Cg_endo -70.93 119.56 6.4 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 O-C-N 123.882 1.464 . . . . 10.0 110.784 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -70.19 -0.95 8.03 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 O-C-N 123.979 1.515 . . . . 10.0 110.274 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.537 ' O ' ' C ' ' A' ' 30' ' ' LEU . 2.0 m-20 -100.46 27.93 5.41 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.299 -0.876 . . . . 10.0 110.254 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.67 HD23 HD12 ' B' ' 14' ' ' LEU . 2.1 tp -29.91 -61.72 0.15 Allowed 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.028 0.442 . . . . 10.0 110.333 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.449 ' H ' HG23 ' A' ' 31' ' ' VAL . 16.6 t -41.29 -67.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.275 -0.89 . . . . 10.0 109.18 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.523 ' OD1' ' NH1' ' B' ' 42' ' ' ARG . 6.6 t0 -49.27 -48.63 45.77 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.472 ' HD1' ' C ' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -49.45 -58.9 4.3 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.634 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.589 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -40.66 -51.86 2.97 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.923 -0.711 . . . . 10.0 109.607 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.656 ' O ' ' HB ' ' A' ' 39' ' ' THR . 4.1 t -65.37 -56.23 16.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.291 -0.881 . . . . 10.0 109.791 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -39.73 -58.34 1.36 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.333 -0.854 . . . . 10.0 110.507 179.73 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.433 ' CE1' ' CD2' ' A' ' 41' ' ' LEU . 7.5 t80 -63.57 -76.96 0.06 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.29 -0.881 . . . . 10.0 110.527 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 17.9 m-85 -41.95 -60.57 1.36 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.294 -0.878 . . . . 10.0 110.768 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.656 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 17.1 m -39.91 -49.05 2.41 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.11 -0.994 . . . . 10.0 109.756 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -39.82 68.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 10.0 109.336 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.513 ' HA ' HD12 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -69.13 -22.17 63.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.5 -0.75 . . . . 10.0 109.577 179.439 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.474 ' HD3' ' CG ' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -71.62 -29.43 64.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.321 -0.862 . . . . 10.0 109.594 179.458 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.434 -0.791 . . . . 10.0 110.052 179.744 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.274 0.559 . . . . 10.0 110.128 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.496 ' O ' ' C ' ' B' ' 13' ' ' GLU . 1.8 m -61.67 -65.91 0.62 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.377 -0.827 . . . . 10.0 110.424 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' B' ' 12' ' ' THR . 4.7 pt-20 -35.64 -47.99 0.5 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.601 -0.687 . . . . 10.0 110.577 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.67 HD12 HD23 ' A' ' 30' ' ' LEU . 1.1 mt -56.67 -61.7 2.24 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.099 -1.001 . . . . 10.0 110.137 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' B' ' 16' ' ' GLN . 11.7 mt -65.35 -56.68 11.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.22 -0.925 . . . . 10.0 110.081 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' B' ' 15' ' ' LEU . 1.7 tt0 -42.08 -57.8 2.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 10.0 109.862 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -46.55 -50.16 14.55 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 108.854 -1.698 . . . . 10.0 108.854 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.614 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.6 OUTLIER -42.29 -62.94 0.84 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.464 -1.021 . . . . 10.0 109.869 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -47.19 -24.82 0.77 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.375 -0.828 . . . . 10.0 110.229 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' B' ' 17' ' ' GLY . 16.9 t -89.85 -34.23 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.157 -0.964 . . . . 10.0 110.546 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.614 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.5 OUTLIER -73.26 -44.09 59.95 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.184 -0.948 . . . . 10.0 108.876 179.525 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' B' ' 26' ' ' GLN . 19.0 t -63.75 -52.88 51.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.899 -0.5 . . . . 10.0 110.102 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' B LEU . . . . . 0.543 ' HB2' ' O ' ' B' ' 19' ' ' THR . 2.0 tp -55.39 -26.33 40.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.26 -0.9 . . . . 10.0 109.975 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -66.61 -13.2 60.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.298 -0.876 . . . . 10.0 110.265 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.57 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -158.87 14.66 0.17 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.214 -0.929 . . . . 10.0 110.819 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.57 ' C ' ' O ' ' B' ' 25' ' ' GLN . 48.1 mt-30 25.71 56.19 0.38 Allowed Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.391 -0.818 . . . . 10.0 110.86 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.493 ' HD3' ' HG3' ' B' ' 25' ' ' GLN . 45.3 Cg_endo -71.1 119.65 6.45 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 O-C-N 124.026 1.54 . . . . 10.0 110.73 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -70.05 -1.17 8.27 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 123.921 1.485 . . . . 10.0 110.353 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.537 ' O ' ' C ' ' B' ' 30' ' ' LEU . 1.9 m-20 -100.39 27.77 5.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.406 -0.809 . . . . 10.0 110.224 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.728 HD23 HD12 ' A' ' 14' ' ' LEU . 2.2 tp -29.73 -61.55 0.15 Allowed 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.148 0.499 . . . . 10.0 110.333 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' B' ' 30' ' ' LEU . 17.3 t -41.25 -67.75 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.25 -0.907 . . . . 10.0 109.237 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.474 ' CG ' ' HD3' ' A' ' 42' ' ' ARG . 6.7 t0 -49.26 -48.5 45.77 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 109.218 -0.66 . . . . 10.0 109.218 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.479 ' C ' ' HD1' ' B' ' 33' ' ' PHE . 0.5 OUTLIER -49.63 -58.66 4.84 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.601 -0.889 . . . . 10.0 108.601 178.697 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.579 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -40.67 -51.76 2.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.402 -0.811 . . . . 10.0 109.645 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.661 ' O ' ' HB ' ' B' ' 39' ' ' THR . 3.9 t -65.58 -56.42 15.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.135 -0.978 . . . . 10.0 109.679 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 35' ' ' VAL . 0.8 OUTLIER -39.67 -58.09 1.39 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.415 -0.803 . . . . 10.0 110.406 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.431 ' CE1' ' CD2' ' B' ' 41' ' ' LEU . 7.5 t80 -63.93 -76.84 0.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -0.889 . . . . 10.0 110.557 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.548 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 17.4 m-85 -42.0 -60.57 1.37 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.295 -0.878 . . . . 10.0 110.652 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.661 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 16.7 m -40.18 -48.44 2.55 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.075 -1.016 . . . . 10.0 109.779 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -39.41 69.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 10.0 109.385 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.516 ' HA ' HD12 ' B' ' 41' ' ' LEU . 0.0 OUTLIER -69.52 -22.36 63.59 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.57 -0.706 . . . . 10.0 109.585 179.416 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.523 ' NH1' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 10.0 109.431 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.543 ' HG ' HD11 ' B' ' 30' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.251 0.548 . . . . 10.0 110.276 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 13' ' ' GLU . 24.5 m -68.34 -68.7 0.37 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.269 -0.895 . . . . 10.0 110.117 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.5 mt-10 -36.91 -46.81 0.66 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.587 -0.696 . . . . 10.0 110.344 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.427 HD22 HD23 ' A' ' 41' ' ' LEU . 34.4 mt -62.67 -56.38 18.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 10.0 110.095 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.042 HD11 ' CD2' ' B' ' 15' ' ' LEU . 0.1 OUTLIER -45.53 -71.52 0.07 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.314 -0.866 . . . . 10.0 110.163 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.872 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.2 mp0 -42.11 -46.02 4.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.898 . . . . 10.0 109.964 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -57.77 -46.18 92.59 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.467 -1.453 . . . . 10.0 109.467 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -72.47 -45.39 59.73 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.047 -1.266 . . . . 10.0 109.481 179.684 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.41 -30.86 67.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -0.906 . . . . 10.0 109.583 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 16' ' ' GLN . 76.4 t -72.48 -29.6 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 10.0 109.983 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.712 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.5 mt-10 -72.86 -27.65 62.04 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 119.481 -0.888 . . . . 10.0 109.205 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.7 t -74.22 -35.03 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.719 -0.613 . . . . 10.0 109.894 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' A LEU . . . . . . . . . . . . . 80.9 mt -84.13 -18.13 37.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.881 . . . . 10.0 109.877 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -92.14 -66.54 0.92 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.403 -0.81 . . . . 10.0 110.18 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' OE1' ' CZ ' ' A' ' 33' ' ' PHE . 3.0 pt20 -81.07 -22.17 39.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 10.0 110.205 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 25' ' ' GLN . 1.8 mm-40 41.09 81.88 0.24 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.361 -0.837 . . . . 10.0 110.016 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.628 ' HG3' ' CG ' ' A' ' 33' ' ' PHE . 44.0 Cg_endo -69.9 171.96 13.65 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 O-C-N 123.937 1.493 . . . . 10.0 110.619 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.5 -45.09 1.87 Allowed 'Trans proline' 0 C--N 1.304 -1.803 0 O-C-N 124.107 1.582 . . . . 10.0 110.53 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -128.77 124.45 35.52 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 10.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.567 HD22 ' HB2' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -69.99 -67.78 0.46 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.268 -0.895 . . . . 10.0 110.176 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.566 ' C ' ' O ' ' A' ' 30' ' ' LEU . 6.5 t -27.28 -61.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.751 . . . . 10.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.61 -47.44 83.78 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.522 -0.736 . . . . 10.0 109.93 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.628 ' CG ' ' HG3' ' A' ' 27' ' ' PRO . 69.4 t80 -60.29 -55.31 35.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.231 -0.918 . . . . 10.0 109.484 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.567 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -55.4 -25.61 36.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.296 -0.878 . . . . 10.0 109.688 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.563 HG22 ' N ' ' B' ' 39' ' ' THR . 2.2 t -83.96 -46.64 18.09 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 O-C-N 121.319 -0.863 . . . . 10.0 109.692 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -58.63 -42.11 87.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -0.818 . . . . 10.0 109.804 179.673 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.479 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 55.5 t80 -65.11 -67.75 0.41 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.881 . . . . 10.0 109.926 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.433 ' C ' ' CG2' ' B' ' 35' ' ' VAL . 7.2 m-85 -49.31 -47.13 47.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.261 -0.9 . . . . 10.0 110.206 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.571 ' N ' HG22 ' B' ' 35' ' ' VAL . 3.3 m -55.16 -38.99 68.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.189 -0.944 . . . . 10.0 110.059 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -65.79 -34.96 79.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.942 . . . . 10.0 109.993 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.427 HD23 HD22 ' A' ' 14' ' ' LEU . 9.9 mp -65.26 -42.16 93.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.298 -0.876 . . . . 10.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -66.98 -25.15 66.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 10.0 109.822 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 1.2 tp10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.367 -0.833 . . . . 10.0 109.635 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.495 HD22 ' O ' ' B' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 121.247 0.546 . . . . 10.0 110.195 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.48 ' O ' ' C ' ' B' ' 13' ' ' GLU . 24.8 m -68.76 -68.27 0.41 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.173 -0.955 . . . . 10.0 110.156 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.4 mt-10 -37.6 -47.24 0.92 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.546 -0.721 . . . . 10.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.443 HD22 HD23 ' B' ' 41' ' ' LEU . 35.7 mt -62.29 -56.48 18.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.325 -0.859 . . . . 10.0 110.1 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 1.042 ' CD2' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -45.13 -71.84 0.07 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 10.0 110.118 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.876 ' O ' HG23 ' B' ' 20' ' ' VAL . 3.1 mp0 -42.09 -45.86 4.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.295 -0.878 . . . . 10.0 109.998 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -57.58 -46.26 92.27 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.407 -1.477 . . . . 10.0 109.407 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.732 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -72.25 -45.54 59.74 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.188 -1.183 . . . . 10.0 109.617 179.595 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -30.87 67.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.301 -0.874 . . . . 10.0 109.572 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.876 HG23 ' O ' ' B' ' 16' ' ' GLN . 75.1 t -72.37 -29.81 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 10.0 109.916 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.721 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.5 mt-10 -72.6 -27.66 62.31 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.176 -0.953 . . . . 10.0 109.197 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.7 t -74.12 -35.24 40.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.629 -0.669 . . . . 10.0 109.995 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' B LEU . . . . . . . . . . . . . 81.0 mt -83.99 -17.78 39.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.277 -0.889 . . . . 10.0 109.916 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -92.61 -66.56 0.92 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.33 -0.857 . . . . 10.0 110.123 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.9 pt20 -80.97 -22.08 39.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.869 . . . . 10.0 110.208 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' B' ' 25' ' ' GLN . 1.9 mm-40 40.81 82.03 0.23 Allowed Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.271 -0.893 . . . . 10.0 110.012 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.63 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 44.0 Cg_endo -69.9 172.02 13.54 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 O-C-N 124.066 1.561 . . . . 10.0 110.685 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.53 -44.57 2.15 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 O-C-N 124.07 1.563 . . . . 10.0 110.501 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.42 125.15 35.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.24 -0.913 . . . . 10.0 110.1 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.569 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.2 OUTLIER -70.45 -68.16 0.45 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.904 . . . . 10.0 110.199 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.569 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.3 t -26.95 -61.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.576 -0.702 . . . . 10.0 110.313 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.52 -47.71 82.73 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.637 -0.664 . . . . 10.0 109.939 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.63 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 69.5 t80 -60.07 -55.29 35.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.218 -0.926 . . . . 10.0 109.553 179.427 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.557 ' HB2' HD22 ' B' ' 30' ' ' LEU . . . -55.46 -25.8 38.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.316 -0.865 . . . . 10.0 109.69 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.571 HG22 ' N ' ' A' ' 39' ' ' THR . 2.2 t -83.46 -46.82 18.42 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 O-C-N 121.431 -0.793 . . . . 10.0 109.584 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' B' ' 37' ' ' TYR . 0.5 OUTLIER -58.71 -42.36 88.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 10.0 109.896 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.481 ' N ' ' CG ' ' B' ' 36' ' ' GLU . 54.1 t80 -64.7 -68.08 0.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 10.0 109.966 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.407 ' C ' ' CG2' ' A' ' 35' ' ' VAL . 7.9 m-85 -49.26 -46.79 46.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.275 -0.891 . . . . 10.0 110.212 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.563 ' N ' HG22 ' A' ' 35' ' ' VAL . 3.3 m -55.22 -38.54 68.57 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 10.0 110.068 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.0 ttt-85 -66.5 -35.49 80.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.326 -0.859 . . . . 10.0 109.949 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.443 HD23 HD22 ' B' ' 14' ' ' LEU . 10.0 mp -64.61 -42.56 95.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.909 . . . . 10.0 110.124 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.407 ' CB ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.919 . . . . 10.0 109.863 179.8 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.7 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.213 0.53 . . . . 10.0 110.04 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 16.3 m -41.93 -74.72 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.279 -0.888 . . . . 10.0 110.06 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.1 tt0 -35.45 -51.87 0.63 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.634 -0.666 . . . . 10.0 110.274 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' A' ' 14' ' ' LEU . 9.2 mt -67.25 -64.74 0.79 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.154 -0.966 . . . . 10.0 110.038 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 18' ' ' TYR . 22.5 mt -50.95 -57.21 9.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 10.0 110.032 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 12' ' ' THR . 2.7 tt0 -43.9 -57.44 3.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.185 -0.947 . . . . 10.0 109.763 179.73 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.532 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -48.28 -48.42 26.8 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 108.705 -1.758 . . . . 10.0 108.705 179.499 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.721 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -39.13 -61.13 0.8 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.498 -1.001 . . . . 10.0 110.129 179.457 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -50.87 -45.24 59.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.365 -0.834 . . . . 10.0 109.726 179.921 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.549 ' N ' HG22 ' A' ' 19' ' ' THR . 6.5 t -60.97 -27.4 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 10.0 110.304 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -87.4 -56.23 3.45 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.307 -0.871 . . . . 10.0 109.859 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 18' ' ' TYR . 2.7 t -57.31 -20.22 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.692 -0.63 . . . . 10.0 110.468 -179.641 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' A LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 19' ' ' THR . 6.2 mp -85.78 -46.56 10.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.089 -1.007 . . . . 10.0 109.837 179.566 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -54.33 18.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.348 -0.845 . . . . 10.0 110.102 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 26' ' ' GLN . 9.4 mm-40 -77.93 -28.45 49.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 10.0 110.281 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 2.0 tt0 38.12 70.61 1.22 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.38 -0.825 . . . . 10.0 110.315 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.598 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 43.7 Cg_endo -69.68 164.5 34.22 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 O-C-N 124.044 1.549 . . . . 10.0 110.507 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.41 -38.9 7.89 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 O-C-N 123.994 1.523 . . . . 10.0 110.269 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -127.8 148.17 50.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.376 -0.828 . . . . 10.0 109.895 179.726 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.713 ' HG ' HD22 ' B' ' 11' ' ' LEU . 0.4 OUTLIER -89.88 -56.18 3.34 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.23 -0.919 . . . . 10.0 110.149 -179.658 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 30' ' ' LEU . 16.7 t -34.56 -59.5 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.421 -0.8 . . . . 10.0 109.894 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.415 ' HA ' HH11 ' B' ' 42' ' ' ARG . 3.5 t0 -59.47 -48.59 81.05 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.785 -0.572 . . . . 10.0 110.144 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CD1' ' HG3' ' A' ' 27' ' ' PRO . 66.2 t80 -55.89 -33.67 64.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.123 -0.986 . . . . 10.0 109.505 179.534 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.693 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -64.99 -50.38 66.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.39 -0.819 . . . . 10.0 109.789 179.641 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.876 ' O ' ' HB ' ' A' ' 39' ' ' THR . 40.2 t -62.31 -38.25 80.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.408 -0.807 . . . . 10.0 110.644 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -38.19 83.68 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.04 -1.038 . . . . 10.0 110.762 -179.453 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.479 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 77.2 t80 -73.05 -70.57 0.35 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.104 -0.998 . . . . 10.0 110.688 -179.534 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.672 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 17.7 m-85 -51.61 -61.42 2.26 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.278 -0.889 . . . . 10.0 110.666 -179.495 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.876 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 8.2 m -41.34 -59.65 1.49 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.11 -0.994 . . . . 10.0 109.816 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -27.82 36.06 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.39 -0.819 . . . . 10.0 109.807 179.709 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.5 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -70.06 -53.69 16.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.277 -0.89 . . . . 10.0 109.711 179.747 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -57.44 -42.98 83.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.292 -0.88 . . . . 10.0 109.996 179.591 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.502 -0.749 . . . . 10.0 110.58 -179.57 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.722 HD23 ' N ' ' B' ' 11' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.23 0.538 . . . . 10.0 110.057 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 16.3 m -41.41 -75.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.287 -0.883 . . . . 10.0 110.083 179.896 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' B' ' 12' ' ' THR . 14.0 tt0 -35.54 -51.79 0.64 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.585 -0.697 . . . . 10.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' B' ' 14' ' ' LEU . 9.2 mt -67.08 -64.6 0.82 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.257 -0.902 . . . . 10.0 110.039 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLN . 22.7 mt -51.29 -57.37 9.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.306 -0.871 . . . . 10.0 110.111 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.7 tt0 -43.68 -57.25 3.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.18 -0.95 . . . . 10.0 109.749 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -48.17 -49.07 25.45 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.769 -1.732 . . . . 10.0 108.769 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.735 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.4 OUTLIER -38.91 -60.98 0.79 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.487 -1.008 . . . . 10.0 110.139 179.572 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -50.77 -45.41 59.02 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.25 -0.906 . . . . 10.0 109.769 179.778 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.553 ' N ' HG22 ' B' ' 19' ' ' THR . 6.4 t -61.09 -27.04 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.281 -0.887 . . . . 10.0 110.315 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.9 OUTLIER -87.79 -55.67 3.67 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.269 -0.894 . . . . 10.0 109.812 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 18' ' ' TYR . 2.8 t -57.71 -20.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.566 -0.709 . . . . 10.0 110.393 -179.592 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 23' B LEU . . . . . 0.579 ' HB2' ' O ' ' B' ' 19' ' ' THR . 6.0 mp -85.68 -46.78 10.41 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.19 -0.944 . . . . 10.0 109.842 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -54.54 17.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.869 . . . . 10.0 110.209 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' B' ' 26' ' ' GLN . 9.6 mm-40 -77.55 -28.54 51.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.899 . . . . 10.0 110.202 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 2.1 tt0 38.41 70.43 1.29 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.316 -0.865 . . . . 10.0 110.274 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.6 ' HG3' ' CD1' ' B' ' 33' ' ' PHE . 44.0 Cg_endo -69.73 164.46 34.42 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 O-C-N 124.063 1.56 . . . . 10.0 110.561 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.36 -39.53 7.16 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 O-C-N 124.097 1.577 . . . . 10.0 110.303 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -127.2 148.2 50.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.354 -0.841 . . . . 10.0 109.895 179.713 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.673 ' HG ' HD22 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -89.66 -56.23 3.33 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.185 -0.947 . . . . 10.0 110.237 -179.657 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' B' ' 30' ' ' LEU . 17.4 t -34.67 -59.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-O 121.808 0.813 . . . . 10.0 109.828 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.431 ' HA ' HH11 ' A' ' 42' ' ' ARG . 3.7 t0 -59.52 -48.42 81.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.734 -0.604 . . . . 10.0 110.161 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.6 ' CD1' ' HG3' ' B' ' 27' ' ' PRO . 67.3 t80 -56.15 -33.77 65.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.125 -0.984 . . . . 10.0 109.621 179.527 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.672 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -65.04 -50.35 66.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.406 -0.809 . . . . 10.0 109.853 179.699 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.875 ' O ' ' HB ' ' B' ' 39' ' ' THR . 42.8 t -62.59 -37.47 79.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.394 -0.816 . . . . 10.0 110.579 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -38.23 81.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.084 -1.01 . . . . 10.0 110.725 -179.569 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.465 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 76.1 t80 -72.93 -70.79 0.34 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.052 -1.03 . . . . 10.0 110.635 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.693 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 18.5 m-85 -51.22 -61.53 2.18 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.238 -0.914 . . . . 10.0 110.688 -179.527 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.875 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 9.0 m -40.98 -60.03 1.3 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.04 -1.038 . . . . 10.0 109.794 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -28.29 35.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -0.842 . . . . 10.0 109.827 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 0.5 OUTLIER -69.43 -54.14 15.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 10.0 109.869 179.595 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.566 ' CB ' ' CZ ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.227 -0.921 . . . . 10.0 109.848 179.629 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 11' ' ' LEU . 11.0 tp . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.222 0.534 . . . . 10.0 110.451 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 24.1 m -47.75 -79.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.157 -0.965 . . . . 10.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.81 -69.29 0.14 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.22 -0.925 . . . . 10.0 110.669 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.548 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 86.9 mt -45.48 -65.54 0.52 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.195 -0.941 . . . . 10.0 110.364 -179.683 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.05 HD11 HD11 ' B' ' 15' ' ' LEU . 4.0 tp -57.91 -72.91 0.08 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.189 -0.944 . . . . 10.0 110.558 -179.618 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -39.66 -31.25 0.09 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 10.0 110.242 -179.864 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.539 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -82.0 -47.04 6.37 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.607 -1.397 . . . . 10.0 109.607 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.815 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -73.39 -36.21 66.0 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.047 -1.267 . . . . 10.0 109.77 179.855 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.53 ' HA ' HD21 ' B' ' 11' ' ' LEU . 22.4 m -62.34 -40.46 96.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 10.0 109.922 179.683 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 3.5 t -65.48 -33.7 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.327 -0.858 . . . . 10.0 110.112 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.7 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.3 mt-10 -65.72 -50.53 64.51 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.129 -0.982 . . . . 10.0 108.996 179.539 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 18' ' ' TYR . 4.7 t -51.28 -46.95 34.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.383 0.611 . . . . 10.0 110.068 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' A LEU . . . . . . . . . . . . . 3.8 tp -73.83 -11.79 60.48 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.366 -0.834 . . . . 10.0 110.377 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.536 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -98.03 12.08 35.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.195 -0.941 . . . . 10.0 110.607 -179.821 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.68 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.8 OUTLIER -172.3 27.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.999 -1.063 . . . . 10.0 110.797 179.822 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.68 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.4 tt0 8.03 78.82 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.629 -0.669 . . . . 10.0 111.183 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.492 ' HG2' ' HB2' ' A' ' 30' ' ' LEU . 43.3 Cg_endo -69.87 132.26 22.8 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 O-C-N 123.985 1.519 . . . . 10.0 110.64 -179.802 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.99 -33.59 19.15 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 O-C-N 123.955 1.503 . . . . 10.0 110.293 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' ' C ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -107.31 26.32 10.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.262 -0.899 . . . . 10.0 109.702 179.786 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.532 ' HG ' ' CG1' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -31.17 -61.71 0.19 Allowed 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.534 -179.633 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.519 ' C ' ' O ' ' A' ' 30' ' ' LEU . 13.3 t -34.33 -60.41 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.479 -0.763 . . . . 10.0 109.669 179.631 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.482 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 3.1 t0 -59.1 -45.03 91.9 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.735 -0.603 . . . . 10.0 109.904 179.65 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' LEU . 17.5 t80 -61.56 -48.51 80.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.157 -0.964 . . . . 10.0 109.416 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.66 -28.18 31.68 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.394 -0.816 . . . . 10.0 109.535 179.391 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.729 HG21 ' HA ' ' B' ' 39' ' ' THR . 3.4 t -77.82 -54.89 11.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 O-C-N 121.344 -0.847 . . . . 10.0 109.573 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.0 mt-10 -53.01 -36.06 60.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.398 -0.814 . . . . 10.0 109.787 179.493 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 18' ' ' TYR . 9.0 t80 -59.69 -63.53 1.27 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.862 . . . . 10.0 109.994 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 22.8 m-85 -69.01 -53.54 20.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 10.0 110.06 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.698 ' HA ' HG21 ' B' ' 35' ' ' VAL . 4.4 m -43.56 -31.0 0.65 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.15 -0.969 . . . . 10.0 109.633 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 11.4 mtt180 -74.23 -41.35 61.47 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.374 -0.829 . . . . 10.0 110.002 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HA ' HD13 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -52.45 -29.12 23.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 10.0 110.07 179.756 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -35.84 71.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -0.858 . . . . 10.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.919 . . . . 10.0 110.002 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' B' ' 11' ' ' LEU . 10.9 tp . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.279 0.561 . . . . 10.0 110.409 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.512 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 25.1 m -47.13 -79.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.136 -0.977 . . . . 10.0 110.405 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -69.63 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.918 . . . . 10.0 110.562 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.539 ' HB3' ' CE1' ' B' ' 38' ' ' PHE . 87.0 mt -45.07 -65.51 0.52 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.213 -0.93 . . . . 10.0 110.415 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 1.05 HD11 HD11 ' A' ' 15' ' ' LEU . 3.9 tp -58.06 -72.94 0.08 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.229 -0.919 . . . . 10.0 110.483 -179.623 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -39.59 -31.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.153 -0.967 . . . . 10.0 110.261 -179.831 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -81.99 -46.91 6.44 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.677 -1.369 . . . . 10.0 109.677 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.803 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -73.59 -36.23 65.51 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.123 -1.222 . . . . 10.0 109.691 179.83 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.492 ' HA ' HD21 ' A' ' 11' ' ' LEU . 22.0 m -62.17 -40.27 95.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.829 . . . . 10.0 109.965 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 3.4 t -65.79 -33.59 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.304 -0.872 . . . . 10.0 110.083 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.712 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.3 mt-10 -65.73 -50.46 64.71 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.11 -0.994 . . . . 10.0 109.047 179.559 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.803 HG23 ' O ' ' B' ' 18' ' ' TYR . 4.6 t -51.06 -47.82 30.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 CA-C-O 121.361 0.601 . . . . 10.0 110.119 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 23' B LEU . . . . . . . . . . . . . 3.8 tp -73.13 -12.65 60.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.379 -0.826 . . . . 10.0 110.334 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 1.1 tpt180 -97.08 11.91 34.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.164 -0.96 . . . . 10.0 110.64 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.678 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.7 OUTLIER -172.16 27.05 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.114 -0.991 . . . . 10.0 110.69 179.799 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.678 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.5 tt0 8.18 78.79 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.542 -0.724 . . . . 10.0 111.215 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' B' ' 30' ' ' LEU . 43.1 Cg_endo -69.98 131.96 22.0 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 O-C-N 123.96 1.505 . . . . 10.0 110.511 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.08 -33.82 18.28 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 123.993 1.523 . . . . 10.0 110.244 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.7 OUTLIER -106.85 26.3 10.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.309 -0.87 . . . . 10.0 109.7 179.693 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.543 ' HG ' ' CG1' ' B' ' 22' ' ' VAL . 0.6 OUTLIER -31.18 -61.63 0.19 Allowed 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.458 -179.624 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.516 ' C ' ' O ' ' B' ' 30' ' ' LEU . 14.2 t -34.59 -60.55 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 CA-C-O 121.762 0.791 . . . . 10.0 109.603 179.764 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.478 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 2.7 t0 -58.76 -44.97 90.74 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.717 -0.614 . . . . 10.0 109.915 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.406 ' HD2' HD23 ' B' ' 30' ' ' LEU . 17.6 t80 -61.59 -48.23 81.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.149 -0.969 . . . . 10.0 109.386 179.293 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.01 -28.12 36.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.355 -0.841 . . . . 10.0 109.558 179.421 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 39' ' ' THR . 3.2 t -77.69 -54.45 12.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 O-C-N 121.427 -0.795 . . . . 10.0 109.501 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' B' ' 40' ' ' ARG . 3.1 mt-10 -53.6 -36.64 62.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.267 -0.895 . . . . 10.0 109.801 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' B' ' 18' ' ' TYR . 9.1 t80 -59.0 -63.16 1.4 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.346 -0.846 . . . . 10.0 110.006 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' B' ' 14' ' ' LEU . 22.9 m-85 -69.3 -53.35 20.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 10.0 110.056 179.863 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.729 ' HA ' HG21 ' A' ' 35' ' ' VAL . 4.5 m -43.77 -30.47 0.66 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.102 -0.999 . . . . 10.0 109.722 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' B' ' 36' ' ' GLU . 10.9 mtt180 -74.7 -41.7 59.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.408 -0.807 . . . . 10.0 109.897 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' B' ' 41' ' ' LEU . 0.2 OUTLIER -52.41 -29.44 24.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 10.0 109.968 179.871 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' B' ' 42' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 10.0 110.194 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.675 ' HG ' HD22 ' B' ' 30' ' ' LEU . 2.1 mp . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.18 0.514 . . . . 10.0 110.127 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 13' ' ' GLU . 1.3 m -40.62 -68.44 0.18 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.32 -0.862 . . . . 10.0 110.069 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.538 ' N ' HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER -40.91 -55.65 2.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.469 -0.77 . . . . 10.0 110.387 179.909 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.512 HD23 HD23 ' B' ' 30' ' ' LEU . 54.6 tp -60.07 -60.74 3.35 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.186 -0.946 . . . . 10.0 110.449 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.707 HD21 ' CE2' ' B' ' 18' ' ' TYR . 73.0 mt -54.14 -68.16 0.2 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.258 -0.901 . . . . 10.0 110.386 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.497 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 0.9 OUTLIER -39.39 -44.54 1.35 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.207 -0.933 . . . . 10.0 110.048 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.464 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -47.08 -47.64 20.21 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 108.958 -1.657 . . . . 10.0 108.958 179.604 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.845 ' HE1' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -73.71 -47.49 39.09 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.138 -1.213 . . . . 10.0 109.0 179.348 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.547 ' OG1' ' CD1' ' B' ' 15' ' ' LEU . 8.5 m -50.52 -33.01 19.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.788 -1.195 . . . . 10.0 110.527 179.032 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 16' ' ' GLN . 65.4 t -74.69 -34.91 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.134 -0.979 . . . . 10.0 110.841 -179.454 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.784 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -66.52 -53.74 31.56 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.084 -1.01 . . . . 10.0 109.361 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.845 HG21 ' HE1' ' A' ' 18' ' ' TYR . 6.1 t -48.36 -45.98 13.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.793 -0.567 . . . . 10.0 110.17 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' A LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 23' A LEU . 14.2 mt -60.28 -29.64 68.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.228 -0.92 . . . . 10.0 109.826 179.652 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.71 24.4 1.47 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.263 -0.898 . . . . 10.0 110.573 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -167.26 -37.24 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.157 -0.964 . . . . 10.0 110.128 179.595 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 2.0 tm0? 57.01 80.58 0.28 Allowed Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.451 -0.781 . . . . 10.0 110.212 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.461 ' CD ' HG13 ' A' ' 22' ' ' VAL . 43.0 Cg_endo -70.0 169.33 19.49 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 O-C-N 124.015 1.534 . . . . 10.0 110.532 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.467 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 43.2 Cg_endo -69.4 -8.02 22.5 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 124.067 1.562 . . . . 10.0 110.482 179.843 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.467 ' OD1' ' HG2' ' A' ' 28' ' ' PRO . 0.5 OUTLIER -171.87 130.07 0.65 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.277 -0.89 . . . . 10.0 110.055 179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.694 HD11 ' CE1' ' A' ' 18' ' ' TYR . 19.3 tp -78.12 -55.99 4.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.197 -0.939 . . . . 10.0 110.566 -179.704 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.603 HG12 ' HG2' ' B' ' 42' ' ' ARG . 23.4 t -29.52 -67.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 CA-C-O 121.662 0.744 . . . . 10.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.22 -42.8 63.87 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.649 -0.657 . . . . 10.0 110.088 179.714 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 4.0 t80 -62.89 -47.64 82.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.081 -1.012 . . . . 10.0 109.478 179.338 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.03 -32.49 47.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.356 -0.84 . . . . 10.0 109.701 179.385 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.795 HG23 ' HB3' ' B' ' 38' ' ' PHE . 2.8 t -87.88 -54.48 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 121.267 -0.895 . . . . 10.0 110.208 -179.77 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -38.13 55.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.282 -0.886 . . . . 10.0 110.237 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.494 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 85.3 t80 -71.68 -55.48 7.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 10.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.784 ' HB3' HG23 ' B' ' 35' ' ' VAL . 8.2 m-85 -68.86 -53.25 22.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.139 -0.976 . . . . 10.0 110.314 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.58 ' HA ' HG21 ' B' ' 35' ' ' VAL . 17.9 m -45.43 -43.49 11.37 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.06 -1.025 . . . . 10.0 109.884 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -41.59 89.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.275 -0.891 . . . . 10.0 109.877 179.633 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 9.4 mt -56.37 -37.21 69.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.949 . . . . 10.0 109.721 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.576 ' HG2' HG12 ' B' ' 31' ' ' VAL . 9.3 mmm180 -72.06 -27.81 62.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.284 -0.885 . . . . 10.0 109.801 179.626 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.483 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 1.3 tp10 . . . . . 0 N--CA 1.488 1.474 0 O-C-N 121.42 -0.8 . . . . 10.0 109.757 179.812 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.606 ' HG ' HD22 ' A' ' 30' ' ' LEU . 2.2 mp . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.249 0.547 . . . . 10.0 110.24 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.544 HG22 ' N ' ' B' ' 13' ' ' GLU . 1.3 m -40.21 -68.3 0.18 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.405 -0.81 . . . . 10.0 110.167 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.544 ' N ' HG22 ' B' ' 12' ' ' THR . 0.0 OUTLIER -41.05 -55.86 2.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.467 -0.771 . . . . 10.0 110.303 179.899 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.622 HD23 HD23 ' A' ' 30' ' ' LEU . 55.7 tp -59.67 -60.88 3.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.289 -0.882 . . . . 10.0 110.445 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.718 HD21 ' CE2' ' A' ' 18' ' ' TYR . 73.2 mt -54.02 -68.38 0.18 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.243 -0.911 . . . . 10.0 110.411 -179.863 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.5 ' HA ' ' HB ' ' B' ' 19' ' ' THR . 0.9 OUTLIER -39.2 -44.69 1.25 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.254 -0.904 . . . . 10.0 110.058 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -46.95 -47.34 19.68 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.951 -1.66 . . . . 10.0 108.951 179.562 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.837 ' CD1' ' C ' ' B' ' 18' ' ' TYR . 0.0 OUTLIER -74.09 -47.97 32.84 Favored 'General case' 0 C--N 1.308 -1.232 0 O-C-N 121.132 -1.217 . . . . 10.0 108.978 179.411 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.502 ' OG1' ' CD1' ' A' ' 15' ' ' LEU . 8.8 m -50.24 -32.76 17.51 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.819 -1.175 . . . . 10.0 110.519 178.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 16' ' ' GLN . 61.5 t -75.02 -34.49 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.163 -0.961 . . . . 10.0 110.887 -179.498 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.783 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.7 OUTLIER -66.97 -53.7 29.04 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.098 -1.002 . . . . 10.0 109.214 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.824 HG21 ' HE1' ' B' ' 18' ' ' TYR . 6.5 t -48.28 -46.26 13.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.766 -0.583 . . . . 10.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 23' B LEU . . . . . 0.487 ' HA ' HD23 ' B' ' 23' B LEU . 14.2 mt -60.08 -29.34 68.5 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.195 -0.941 . . . . 10.0 109.89 179.648 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.78 23.97 1.58 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 10.0 110.516 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' B' ' 26' ' ' GLN . 0.5 OUTLIER -166.98 -37.01 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.221 -0.925 . . . . 10.0 110.211 179.676 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' B' ' 25' ' ' GLN . 2.0 tm0? 57.07 80.72 0.28 Allowed Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.403 -0.811 . . . . 10.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.462 ' CD ' HG13 ' B' ' 22' ' ' VAL . 42.9 Cg_endo -70.06 169.02 20.28 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 O-C-N 124.072 1.564 . . . . 10.0 110.543 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.467 ' HG2' ' OD1' ' B' ' 29' ' ' ASP . 42.4 Cg_endo -69.48 -7.4 20.87 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 123.956 1.503 . . . . 10.0 110.387 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.467 ' OD1' ' HG2' ' B' ' 28' ' ' PRO . 0.5 OUTLIER -172.27 130.73 0.6 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.237 -0.914 . . . . 10.0 109.918 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.688 HD11 ' OH ' ' B' ' 18' ' ' TYR . 17.0 tp -79.05 -56.29 4.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.883 . . . . 10.0 110.612 -179.705 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.584 ' C ' ' O ' ' B' ' 30' ' ' LEU . 25.0 t -29.19 -67.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.473 -0.767 . . . . 10.0 110.293 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.47 -43.1 64.78 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.596 -0.69 . . . . 10.0 110.109 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' B' ' 33' ' ' PHE . 4.0 t80 -62.66 -47.42 83.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.119 -0.988 . . . . 10.0 109.574 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.97 -32.86 48.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -0.864 . . . . 10.0 109.796 179.285 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.784 HG23 ' HB3' ' A' ' 38' ' ' PHE . 2.8 t -87.85 -54.22 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.23 -0.919 . . . . 10.0 110.162 -179.822 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -38.74 57.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.22 -0.925 . . . . 10.0 110.111 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.484 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 84.7 t80 -71.12 -55.79 7.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.173 -0.955 . . . . 10.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.795 ' HB3' HG23 ' A' ' 35' ' ' VAL . 8.5 m-85 -68.62 -52.71 28.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.262 -0.899 . . . . 10.0 110.416 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.639 ' HA ' HG21 ' A' ' 35' ' ' VAL . 16.8 m -45.88 -43.5 13.69 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.158 -0.964 . . . . 10.0 109.856 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -41.93 88.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.253 -0.905 . . . . 10.0 109.794 179.556 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 9.4 mt -56.19 -37.57 69.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.223 -0.923 . . . . 10.0 109.798 179.61 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.603 ' HG2' HG12 ' A' ' 31' ' ' VAL . 9.3 mmm180 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.251 -0.906 . . . . 10.0 109.902 179.685 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.814 HD11 HD22 ' A' ' 15' ' ' LEU . 2.4 tm? . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.333 0.587 . . . . 10.0 109.97 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 63.3 m -44.65 -50.21 9.95 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.244 -0.91 . . . . 10.0 110.046 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.6 tp10 -39.31 -59.66 1.02 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.435 -0.79 . . . . 10.0 110.315 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 14' ' ' LEU . 1.6 mm? -56.14 -61.77 2.16 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.344 -0.848 . . . . 10.0 110.195 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.814 HD22 HD11 ' A' ' 11' ' ' LEU . 6.9 mp -54.77 -58.75 6.33 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.256 -0.902 . . . . 10.0 110.307 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -40.35 -53.13 2.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.183 -0.948 . . . . 10.0 109.64 179.746 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -40.9 -55.16 3.44 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.727 -1.749 . . . . 10.0 108.727 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.613 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 1.2 t80 -46.41 -65.58 0.53 Allowed 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.256 -1.144 . . . . 10.0 110.046 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 23' A LEU . 1.2 m -42.72 -37.61 1.8 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 10.0 110.093 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 16' ' ' GLN . 43.9 t -70.98 -25.62 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.337 -0.852 . . . . 10.0 110.224 -179.834 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.613 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -88.77 -56.03 3.46 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.136 -0.978 . . . . 10.0 109.405 179.72 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.5 ' HA ' ' CD ' ' A' ' 27' ' ' PRO . 11.9 t -50.61 -22.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.603 -0.686 . . . . 10.0 110.046 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' A LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 19' ' ' THR . 4.0 mp -90.07 -37.14 14.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.367 -0.833 . . . . 10.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -76.16 5.76 6.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 10.0 110.993 -179.415 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.642 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.4 pt20 -162.35 16.05 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.926 -1.109 . . . . 10.0 110.987 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.642 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 17.95 77.16 0.15 Allowed Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.408 -0.808 . . . . 10.0 110.803 179.886 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.5 ' CD ' ' HA ' ' A' ' 22' ' ' VAL . 43.3 Cg_endo -69.41 168.73 20.27 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 123.984 1.518 . . . . 10.0 110.728 -179.563 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.18 -51.75 0.41 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 O-C-N 124.042 1.548 . . . . 10.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -151.26 144.61 24.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.266 -0.896 . . . . 10.0 110.105 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.758 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -70.21 -50.06 43.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 10.0 109.468 179.8 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.166 HG13 ' NH1' ' B' ' 42' ' ' ARG . 72.4 t -23.35 -72.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 121.658 0.742 . . . . 10.0 110.771 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -60.51 -58.52 8.15 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.515 -0.741 . . . . 10.0 109.585 179.664 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -43.52 -62.9 0.94 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 10.0 108.925 178.908 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 38' ' ' PHE . . . -40.4 -45.24 2.14 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.499 -0.751 . . . . 10.0 110.14 179.551 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.73 ' O ' ' HB ' ' A' ' 39' ' ' THR . 3.9 t -78.44 -50.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.188 -0.945 . . . . 10.0 110.662 -179.619 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -58.64 -46.67 86.6 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.196 -0.94 . . . . 10.0 110.609 -179.427 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.543 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 4.1 t80 -68.7 -57.87 5.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.07 . . . . 10.0 110.247 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.728 ' O ' ' NE ' ' A' ' 42' ' ' ARG . 10.5 m-85 -56.28 -70.05 0.13 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.287 -0.883 . . . . 10.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.73 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 1.8 m -39.07 -29.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.067 -1.02 . . . . 10.0 109.952 179.786 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -77.27 -35.8 54.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.283 -0.885 . . . . 10.0 109.948 179.495 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.736 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -57.97 -61.09 2.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 10.0 109.917 179.751 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 1.184 ' NH1' HG13 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -37.32 -40.08 0.32 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.393 -0.817 . . . . 10.0 110.014 -179.647 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 N--CA 1.493 1.706 0 O-C-N 121.328 -0.858 . . . . 10.0 110.091 179.954 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.834 HD11 HD22 ' B' ' 15' ' ' LEU . 2.4 tm? . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.255 0.55 . . . . 10.0 109.838 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 63.2 m -44.68 -50.12 10.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 10.0 109.959 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.6 tp10 -39.43 -59.77 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.452 -0.78 . . . . 10.0 110.354 179.849 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' B' ' 14' ' ' LEU . 1.6 mm? -56.15 -61.57 2.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.312 -0.868 . . . . 10.0 110.249 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.834 HD22 HD11 ' B' ' 11' ' ' LEU . 6.7 mp -54.76 -58.83 5.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.234 -0.917 . . . . 10.0 110.338 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -40.5 -52.85 2.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.177 -0.952 . . . . 10.0 109.618 179.694 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -41.0 -54.91 3.55 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.72 -1.752 . . . . 10.0 108.72 179.416 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.604 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 1.1 t80 -46.59 -65.58 0.54 Allowed 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.275 -1.132 . . . . 10.0 110.18 179.331 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' B' ' 23' B LEU . 1.2 m -42.5 -37.6 1.68 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.408 -0.808 . . . . 10.0 110.205 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 16' ' ' GLN . 44.1 t -70.97 -25.66 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.29 -0.881 . . . . 10.0 110.343 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.604 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -88.73 -55.68 3.61 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.084 -1.01 . . . . 10.0 109.464 179.735 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.49 ' HA ' ' CD ' ' B' ' 27' ' ' PRO . 11.5 t -51.02 -22.93 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.716 -0.615 . . . . 10.0 110.04 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 23' B LEU . . . . . 0.518 ' HB2' ' O ' ' B' ' 19' ' ' THR . 4.1 mp -89.9 -37.26 14.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.297 -0.877 . . . . 10.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' B' ' 24' ' ' ARG . 0.0 OUTLIER -76.3 6.07 6.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -0.913 . . . . 10.0 110.913 -179.391 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 25' ' ' GLN . . . . . 0.642 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.4 pt20 -162.5 16.04 0.08 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.891 -1.131 . . . . 10.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.642 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 17.48 77.18 0.14 Allowed Pre-proline 0 N--CA 1.5 2.031 0 O-C-N 121.433 -0.792 . . . . 10.0 110.747 179.835 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.499 ' HD3' ' HG2' ' B' ' 25' ' ' GLN . 43.9 Cg_endo -69.39 169.02 19.4 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.03 1.542 . . . . 10.0 110.683 -179.524 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.09 -51.96 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 123.992 1.522 . . . . 10.0 110.445 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -151.64 143.81 23.97 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.228 -0.92 . . . . 10.0 110.035 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.759 ' H ' HD22 ' B' ' 30' ' ' LEU . 0.4 OUTLIER -69.1 -49.71 54.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.267 -0.896 . . . . 10.0 109.444 179.694 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 1.184 HG13 ' NH1' ' A' ' 42' ' ' ARG . 71.9 t -23.01 -72.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 CA-C-O 121.64 0.733 . . . . 10.0 110.825 179.533 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.506 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -60.91 -57.93 10.58 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.647 -0.658 . . . . 10.0 109.577 179.664 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' B' ' 37' ' ' TYR . 0.6 OUTLIER -43.89 -62.49 1.1 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.225 -0.922 . . . . 10.0 108.985 178.854 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.603 ' O ' ' CD2' ' B' ' 38' ' ' PHE . . . -40.76 -44.65 2.26 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.483 -0.761 . . . . 10.0 110.116 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.731 ' O ' ' HB ' ' B' ' 39' ' ' THR . 3.6 t -78.97 -50.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.106 -0.996 . . . . 10.0 110.609 -179.643 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.535 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.7 OUTLIER -58.21 -46.47 85.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.079 -1.013 . . . . 10.0 110.582 -179.382 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' B' ' 33' ' ' PHE . 4.3 t80 -68.96 -58.39 4.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.053 -1.03 . . . . 10.0 110.255 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.72 ' O ' ' NE ' ' B' ' 42' ' ' ARG . 10.8 m-85 -55.91 -69.9 0.13 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.156 -0.965 . . . . 10.0 109.964 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.731 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 1.8 m -39.09 -29.54 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.121 -0.987 . . . . 10.0 109.89 179.802 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -77.27 -35.43 55.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.258 -0.901 . . . . 10.0 109.958 179.535 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.735 ' HB3' ' NH1' ' B' ' 42' ' ' ARG . 0.6 OUTLIER -57.91 -61.3 2.63 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.135 -0.978 . . . . 10.0 109.784 179.766 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 1.166 ' NH1' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.836 0 O-C-N 121.375 -0.828 . . . . 10.0 110.012 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.261 0.553 . . . . 10.0 110.232 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 34.0 mtp -120.5 -48.81 2.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.258 -0.901 . . . . 10.0 110.088 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.01 158.96 17.57 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.683 -1.367 . . . . 10.0 109.683 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -129.23 -2.82 5.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.329 -1.101 . . . . 10.0 110.207 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.3 mm -109.19 152.39 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.232 -0.918 . . . . 10.0 110.278 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.722 ' HG3' HD23 ' B' ' 23' B LEU . 0.0 OUTLIER -143.69 48.65 1.42 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.301 -0.874 . . . . 10.0 110.064 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.458 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 19.4 mm -137.72 96.16 10.78 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.242 -0.911 . . . . 10.0 110.263 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.581 ' HB2' ' HB2' ' A' ' 11' ' ' LEU . 48.0 Cg_endo -72.23 110.67 3.01 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 O-C-N 124.0 1.526 . . . . 10.0 110.653 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 49.5 Cg_endo -75.75 146.42 30.04 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 O-C-N 124.076 1.566 . . . . 10.0 110.857 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.76 10.19 30.27 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.839 -1.304 . . . . 10.0 109.839 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.631 HD13 ' C ' ' A' ' 11' ' ' LEU . 2.7 tm? -88.76 -40.74 12.99 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.112 -1.228 . . . . 10.0 110.174 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 13' ' ' GLU . 74.4 m -59.06 -70.7 0.14 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.931 . . . . 10.0 110.12 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.3 tp10 -42.04 -61.81 1.07 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.403 -0.81 . . . . 10.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.519 ' HA ' HD23 ' A' ' 14' ' ' LEU . 8.1 mt -43.58 -62.09 1.19 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.192 -0.943 . . . . 10.0 110.082 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 11' ' ' LEU . 18.2 mt -52.46 -50.31 62.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.17 -0.956 . . . . 10.0 110.054 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.24 -61.68 1.12 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.903 . . . . 10.0 110.002 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -44.42 -49.48 8.38 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.066 -1.614 . . . . 10.0 109.066 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.666 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -41.33 -62.89 0.77 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.41 -1.053 . . . . 10.0 110.253 179.718 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.583 ' O ' ' HB2' ' A' ' 23' A LEU . 0.6 OUTLIER -50.28 -35.69 28.3 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.345 -0.847 . . . . 10.0 109.95 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.566 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 42.1 t -70.56 -24.51 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.263 -0.898 . . . . 10.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' OE2' ' CZ ' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -90.86 -64.32 1.15 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.167 -0.958 . . . . 10.0 110.066 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.545 HG22 ' CE2' ' A' ' 33' ' ' PHE . 9.8 t -45.68 -27.11 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.626 -0.671 . . . . 10.0 110.687 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' A LEU . . . . . 0.761 HD23 ' HG3' ' B' ' 6' ' ' GLN . 4.5 mp -88.47 -41.22 12.9 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.981 -1.074 . . . . 10.0 110.545 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -71.41 1.37 6.42 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.1 -1.0 . . . . 10.0 110.551 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.693 ' O ' ' C ' ' A' ' 26' ' ' GLN . 16.8 pt20 -159.2 20.58 0.19 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.092 -1.005 . . . . 10.0 110.614 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' A' ' 25' ' ' GLN . 8.9 mt-30 0.59 89.42 0.03 OUTLIER Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.701 -0.624 . . . . 10.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 26' ' ' GLN . 42.4 Cg_endo -68.88 160.48 49.59 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 123.974 1.513 . . . . 10.0 110.694 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.53 -8.41 23.52 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 O-C-N 124.072 1.564 . . . . 10.0 110.635 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 1.9 m-20 -168.33 139.6 2.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 10.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.526 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -82.78 -62.89 1.48 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.264 -0.897 . . . . 10.0 110.189 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 30' ' ' LEU . 12.1 t -34.37 -63.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.361 -0.837 . . . . 10.0 110.098 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -58.86 -41.54 87.25 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.539 -0.726 . . . . 10.0 110.144 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CE2' HG22 ' A' ' 22' ' ' VAL . 79.8 t80 -64.74 -34.47 78.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.262 -0.899 . . . . 10.0 109.703 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.666 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -67.87 -39.33 83.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.378 -0.826 . . . . 10.0 109.735 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.641 HG23 ' HB3' ' B' ' 38' ' ' PHE . 5.2 t -71.14 -42.33 75.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.416 -0.803 . . . . 10.0 110.135 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.52 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 6.0 mm-40 -69.04 -54.86 12.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.215 -0.928 . . . . 10.0 110.527 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.539 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 41.2 t80 -55.94 -49.71 72.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.189 -0.945 . . . . 10.0 110.686 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.589 ' HB3' HG23 ' B' ' 35' ' ' VAL . 13.6 m-85 -70.34 -51.27 31.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 10.0 110.579 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.657 ' HA ' HG21 ' B' ' 35' ' ' VAL . 16.2 m -45.02 -36.96 3.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.988 -1.07 . . . . 10.0 109.746 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.52 ' HD2' ' O ' ' A' ' 36' ' ' GLU . 20.2 mtt180 -79.77 -38.24 33.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.872 . . . . 10.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.463 HD23 HG13 ' B' ' 31' ' ' VAL . 35.5 tp -46.96 -33.33 4.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.968 . . . . 10.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.441 HH21 HG11 ' B' ' 35' ' ' VAL . 0.0 OUTLIER -59.83 -32.71 70.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 10.0 110.093 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.521 ' O ' ' HB3' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -103.45 9.7 37.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 10.0 110.275 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.497 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -39.15 -69.05 0.14 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.263 -0.898 . . . . 10.0 110.534 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -32.93 -36.84 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 121.326 0.584 . . . . 10.0 110.889 -178.65 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.521 ' HB3' ' O ' ' A' ' 43' ' ' GLU . 35.4 ttt180 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 117.96 -1.019 . . . . 10.0 110.15 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.277 0.56 . . . . 10.0 110.217 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 33.3 mtp -121.02 -48.99 2.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.256 -0.902 . . . . 10.0 110.1 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.39 159.94 21.29 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.587 -1.405 . . . . 10.0 109.587 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -130.24 -1.72 4.52 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.246 -1.149 . . . . 10.0 110.215 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.3 mm -110.24 151.85 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.888 . . . . 10.0 110.314 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.761 ' HG3' HD23 ' A' ' 23' A LEU . 0.0 OUTLIER -143.28 49.73 1.43 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.251 -0.905 . . . . 10.0 110.13 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.462 ' O ' ' HD3' ' B' ' 9' ' ' PRO . 20.1 mm -138.65 96.1 9.69 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.264 -0.898 . . . . 10.0 110.268 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.582 ' HB2' ' HB2' ' B' ' 11' ' ' LEU . 47.3 Cg_endo -72.16 110.7 3.01 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 123.969 1.51 . . . . 10.0 110.651 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' B' ' 7' ' ' ILE . 49.0 Cg_endo -75.84 146.54 29.86 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 O-C-N 124.02 1.537 . . . . 10.0 110.767 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.52 10.41 29.76 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.967 -1.253 . . . . 10.0 109.967 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.633 HD13 ' C ' ' B' ' 11' ' ' LEU . 2.7 tm? -88.81 -40.78 12.92 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.155 -1.203 . . . . 10.0 110.197 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.425 ' O ' ' C ' ' B' ' 13' ' ' GLU . 72.5 m -59.04 -70.63 0.14 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.234 -0.916 . . . . 10.0 110.131 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.3 tp10 -41.84 -61.92 1.01 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.42 -0.8 . . . . 10.0 110.235 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.518 ' HA ' HD23 ' B' ' 14' ' ' LEU . 8.3 mt -43.58 -62.06 1.2 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 10.0 110.143 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.598 HD12 HD11 ' B' ' 11' ' ' LEU . 18.1 mt -52.45 -50.26 62.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.893 . . . . 10.0 110.071 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' B' ' 17' ' ' GLY . 0.0 OUTLIER -42.26 -61.86 1.08 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 10.0 109.982 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -44.41 -49.59 8.33 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.125 -1.59 . . . . 10.0 109.125 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.666 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.5 OUTLIER -41.17 -62.77 0.78 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.382 -1.069 . . . . 10.0 110.193 179.712 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.577 ' O ' ' HB2' ' B' ' 23' B LEU . 0.6 OUTLIER -50.44 -35.87 30.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.301 -0.875 . . . . 10.0 109.91 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.573 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 39.6 t -70.32 -24.49 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.894 . . . . 10.0 110.499 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.506 ' OE2' ' CZ ' ' B' ' 37' ' ' TYR . 0.6 OUTLIER -90.84 -64.8 1.08 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.116 -0.99 . . . . 10.0 110.106 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.539 HG22 ' CE2' ' B' ' 33' ' ' PHE . 10.4 t -45.14 -27.35 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.692 -0.63 . . . . 10.0 110.67 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' B LEU . . . . . 0.722 HD23 ' HG3' ' A' ' 6' ' ' GLN . 4.4 mp -88.38 -41.19 12.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.063 -1.023 . . . . 10.0 110.504 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.1 OUTLIER -71.13 0.92 6.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.051 -1.031 . . . . 10.0 110.596 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.692 ' O ' ' C ' ' B' ' 26' ' ' GLN . 17.1 pt20 -158.74 19.68 0.21 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.035 -1.041 . . . . 10.0 110.661 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.692 ' C ' ' O ' ' B' ' 25' ' ' GLN . 9.1 mt-30 1.72 89.3 0.03 OUTLIER Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.693 -0.629 . . . . 10.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.85 160.55 49.25 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 O-C-N 124.016 1.535 . . . . 10.0 110.68 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.39 -9.34 25.98 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 124.048 1.552 . . . . 10.0 110.623 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -167.79 139.52 3.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.193 -0.942 . . . . 10.0 110.214 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.3 OUTLIER -82.46 -63.58 1.35 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.19 -0.944 . . . . 10.0 110.236 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.531 ' C ' ' O ' ' B' ' 30' ' ' LEU . 10.7 t -33.75 -63.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.462 -0.774 . . . . 10.0 110.067 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -59.59 -42.27 92.19 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.589 -0.694 . . . . 10.0 110.089 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.539 ' CE2' HG22 ' B' ' 22' ' ' VAL . 76.3 t80 -64.14 -34.3 77.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.195 -0.941 . . . . 10.0 109.734 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.666 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -67.95 -39.15 83.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.397 -0.814 . . . . 10.0 109.767 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' A' ' 39' ' ' THR . 5.6 t -71.42 -42.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 10.0 110.08 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.518 ' O ' ' HD2' ' B' ' 40' ' ' ARG . 6.0 mm-40 -69.11 -54.94 12.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 10.0 110.5 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.506 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 39.9 t80 -55.61 -50.4 70.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.21 -0.931 . . . . 10.0 110.683 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.641 ' HB3' HG23 ' A' ' 35' ' ' VAL . 13.8 m-85 -69.73 -51.59 32.9 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.112 -0.992 . . . . 10.0 110.578 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.636 ' HA ' HG21 ' A' ' 35' ' ' VAL . 16.4 m -45.06 -36.36 3.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.957 -1.089 . . . . 10.0 109.716 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.518 ' HD2' ' O ' ' B' ' 36' ' ' GLU . 21.3 mtt180 -79.94 -38.12 33.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.262 -0.899 . . . . 10.0 110.249 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.508 HD23 HG13 ' A' ' 31' ' ' VAL . 34.4 tp -47.2 -32.94 4.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.233 -0.917 . . . . 10.0 110.073 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.473 HH21 HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -60.03 -33.11 71.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.271 -0.893 . . . . 10.0 110.077 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' B' ' 46' ' ' ARG . 0.9 OUTLIER -103.12 9.73 38.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.227 -0.921 . . . . 10.0 110.235 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' B' ' 46' ' ' ARG . . . -39.08 -69.21 0.13 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.248 -0.907 . . . . 10.0 110.575 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.498 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -32.81 -36.6 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.372 0.606 . . . . 10.0 110.881 -178.688 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.523 ' HB3' ' O ' ' B' ' 43' ' ' GLU . 35.4 ttt180 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 117.985 -1.007 . . . . 10.0 110.168 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.8 m80 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.238 0.542 . . . . 10.0 110.217 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 41.9 mtm -132.64 109.09 9.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.165 -0.96 . . . . 10.0 110.238 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.57 160.01 27.5 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.524 -1.43 . . . . 10.0 109.524 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -131.11 108.37 9.7 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.218 -1.166 . . . . 10.0 110.259 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -111.84 128.13 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.153 -0.967 . . . . 10.0 110.109 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.69 ' O ' HD21 ' B' ' 23' B LEU . 0.0 OUTLIER -169.97 -170.29 0.98 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.287 -0.883 . . . . 10.0 110.223 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 6' ' ' GLN . 5.0 mm -148.38 103.68 3.52 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.201 -0.937 . . . . 10.0 110.172 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.482 ' HG2' HD22 ' A' ' 11' ' ' LEU . 44.1 Cg_endo -70.46 132.59 22.5 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 123.975 1.513 . . . . 10.0 110.496 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -72.51 144.8 41.09 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 O-C-N 123.949 1.5 . . . . 10.0 110.599 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.641 ' O ' HD12 ' A' ' 14' ' ' LEU . . . 88.24 -21.85 22.45 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.646 -1.381 . . . . 10.0 109.646 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.482 HD22 ' HG2' ' A' ' 8' ' ' PRO . 24.5 tp -58.66 -73.97 0.07 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.229 -1.159 . . . . 10.0 110.384 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 15' ' ' LEU . 10.4 m -48.23 -68.53 0.18 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.302 -0.874 . . . . 10.0 110.635 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.557 ' CG ' ' N ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -39.48 -47.38 1.84 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.464 -0.772 . . . . 10.0 110.612 -179.606 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 10' ' ' GLY . 50.4 mt -65.35 -30.47 71.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.133 -0.979 . . . . 10.0 110.193 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.054 HD11 HD21 ' B' ' 15' ' ' LEU . 0.1 OUTLIER -74.36 -66.66 0.7 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.247 -0.908 . . . . 10.0 110.143 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.0 mt-30 -45.34 -33.7 2.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.285 -0.884 . . . . 10.0 110.102 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.54 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -72.58 -47.35 27.79 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.619 -1.393 . . . . 10.0 109.619 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.772 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -69.09 -43.49 74.4 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.099 -1.236 . . . . 10.0 109.623 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -59.64 -35.37 74.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.883 . . . . 10.0 109.72 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 16' ' ' GLN . 3.0 t -67.53 -27.65 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 10.0 109.855 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.715 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.5 mt-10 -76.18 -26.57 56.32 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.282 -0.886 . . . . 10.0 109.457 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -85.64 -40.67 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.521 -0.737 . . . . 10.0 110.076 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' A LEU . . . . . 0.637 HD21 ' O ' ' B' ' 6' ' ' GLN . 1.6 mt -61.83 -38.51 88.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -0.903 . . . . 10.0 109.977 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -82.99 -51.14 7.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.33 -0.856 . . . . 10.0 110.171 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 7.1 mm100 -73.09 -30.59 63.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.203 -0.936 . . . . 10.0 110.247 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 22' ' ' VAL . 3.5 mm-40 40.57 64.53 4.73 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 10.0 110.001 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.58 159.76 52.31 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 O-C-N 124.04 1.548 . . . . 10.0 110.684 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.23 -21.18 36.32 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 124.09 1.574 . . . . 10.0 110.352 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -137.69 120.29 16.13 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.862 . . . . 10.0 110.038 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.609 HD22 ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -81.02 -66.28 0.91 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.19 -0.944 . . . . 10.0 110.23 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.623 HG12 ' HG2' ' B' ' 42' ' ' ARG . 10.1 t -27.98 -54.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 CA-C-O 121.77 0.795 . . . . 10.0 110.042 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.41 ' CG ' ' NH1' ' B' ' 42' ' ' ARG . 7.2 t0 -66.3 -48.08 71.52 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.756 -0.59 . . . . 10.0 109.967 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CE1' HG22 ' A' ' 22' ' ' VAL . 29.2 t80 -63.78 -44.43 93.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.187 -0.946 . . . . 10.0 109.698 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.609 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -64.28 -24.18 67.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 10.0 110.024 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.511 ' O ' ' HB ' ' A' ' 39' ' ' THR . 2.2 t -87.25 -48.04 15.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.23 -0.919 . . . . 10.0 109.632 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -55.83 -43.19 76.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 10.0 110.01 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.658 ' O ' HD12 ' A' ' 41' ' ' LEU . 33.4 t80 -66.86 -56.78 8.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.194 -0.942 . . . . 10.0 110.08 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 2.2 m-85 -61.79 -60.67 3.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.403 -0.811 . . . . 10.0 110.214 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 12.5 m -43.08 -40.99 3.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.171 -0.956 . . . . 10.0 109.942 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 2.7 mtt180 -59.02 -41.46 87.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 10.0 109.944 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.658 HD12 ' O ' ' A' ' 37' ' ' TYR . 2.6 mp -57.48 -37.12 72.39 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -0.879 . . . . 10.0 109.993 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.542 ' HG2' HG12 ' B' ' 31' ' ' VAL . 0.9 OUTLIER -67.0 -9.33 37.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.357 -0.839 . . . . 10.0 110.231 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -128.59 1.38 5.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.208 -0.933 . . . . 10.0 110.214 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.612 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -124.0 -73.4 0.64 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 10.0 110.449 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.612 ' C ' ' O ' ' A' ' 44' ' ' ALA . 11.1 tpp180 -15.8 84.23 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.199 0.523 . . . . 10.0 111.528 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' A' ' 44' ' ' ALA . 30.5 tpt85 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 117.995 -1.003 . . . . 10.0 110.089 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 41.9 m80 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.233 0.54 . . . . 10.0 110.133 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 42.2 mtm -133.38 108.76 8.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.27 -0.894 . . . . 10.0 110.102 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.88 159.97 28.31 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.433 -1.467 . . . . 10.0 109.433 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -131.02 107.86 9.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.277 -1.131 . . . . 10.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.52 ' O ' HG23 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -111.33 127.41 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 10.0 110.174 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.637 ' O ' HD21 ' A' ' 23' A LEU . 0.0 OUTLIER -169.36 -171.72 1.33 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.281 -0.887 . . . . 10.0 110.185 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.467 ' O ' HG22 ' B' ' 7' ' ' ILE . 4.7 mm -147.16 103.67 3.81 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 10.0 110.203 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.49 ' HG2' HD22 ' B' ' 11' ' ' LEU . 44.8 Cg_endo -70.51 132.89 23.0 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.017 1.535 . . . . 10.0 110.497 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.53 144.67 40.75 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 123.95 1.5 . . . . 10.0 110.594 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.643 ' O ' HD12 ' B' ' 14' ' ' LEU . . . 88.25 -21.73 23.16 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.629 -1.388 . . . . 10.0 109.629 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.49 HD22 ' HG2' ' B' ' 8' ' ' PRO . 28.7 tp -58.69 -73.63 0.08 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -1.157 . . . . 10.0 110.393 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.489 ' O ' ' N ' ' B' ' 15' ' ' LEU . 10.8 m -48.92 -68.33 0.19 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.248 -0.907 . . . . 10.0 110.582 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.554 ' CG ' ' N ' ' B' ' 14' ' ' LEU . 0.5 OUTLIER -39.44 -47.26 1.79 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.429 -0.794 . . . . 10.0 110.56 -179.611 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.643 HD12 ' O ' ' B' ' 10' ' ' GLY . 51.8 mt -65.74 -30.88 71.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 10.0 110.141 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 1.054 HD21 HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -73.39 -67.81 0.55 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 10.0 110.131 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.406 ' O ' HG23 ' B' ' 20' ' ' VAL . 3.1 mt-30 -44.43 -35.04 2.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.266 -0.896 . . . . 10.0 110.094 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -71.02 -47.81 36.2 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.619 -1.392 . . . . 10.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.773 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.0 OUTLIER -69.04 -43.2 75.18 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.086 -1.243 . . . . 10.0 109.706 179.76 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -59.91 -35.09 74.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 10.0 109.733 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 16' ' ' GLN . 3.1 t -67.73 -27.75 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.296 -0.878 . . . . 10.0 109.799 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.724 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.4 mt-10 -76.01 -26.88 57.11 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.28 -0.887 . . . . 10.0 109.47 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.773 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -85.5 -40.55 14.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.499 -0.751 . . . . 10.0 110.09 -179.607 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 23' B LEU . . . . . 0.69 HD21 ' O ' ' A' ' 6' ' ' GLN . 1.5 mt -61.75 -38.4 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.325 -0.859 . . . . 10.0 110.03 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -83.39 -50.88 7.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.337 -0.852 . . . . 10.0 110.174 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' B' ' 21' ' ' GLU . 7.5 mm100 -73.15 -30.44 63.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 10.0 110.193 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' B' ' 22' ' ' VAL . 3.5 mm-40 40.35 64.63 4.53 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.367 -0.833 . . . . 10.0 110.074 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.66 159.67 52.61 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 O-C-N 124.034 1.544 . . . . 10.0 110.665 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.26 -20.48 37.13 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.022 1.538 . . . . 10.0 110.336 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -138.17 120.4 15.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -0.908 . . . . 10.0 110.044 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.595 HD22 ' HB2' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -81.27 -66.4 0.89 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.216 -0.928 . . . . 10.0 110.199 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.58 ' C ' ' O ' ' B' ' 30' ' ' LEU . 9.7 t -27.91 -54.24 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 CA-C-O 121.77 0.795 . . . . 10.0 110.005 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -66.07 -47.91 72.71 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.78 -0.575 . . . . 10.0 109.968 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.618 ' CE1' HG22 ' B' ' 22' ' ' VAL . 28.6 t80 -63.97 -44.39 92.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.158 -0.964 . . . . 10.0 109.622 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.595 ' HB2' HD22 ' B' ' 30' ' ' LEU . . . -64.38 -24.3 67.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.377 -0.827 . . . . 10.0 109.983 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.509 ' O ' ' HB ' ' B' ' 39' ' ' THR . 2.2 t -86.66 -48.23 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.262 -0.899 . . . . 10.0 109.652 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -55.83 -43.2 76.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.439 -0.788 . . . . 10.0 109.928 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.675 ' O ' HD12 ' B' ' 41' ' ' LEU . 34.4 t80 -66.65 -57.4 7.27 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.893 . . . . 10.0 110.164 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 2.3 m-85 -61.28 -60.56 3.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 10.0 110.296 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 13.0 m -43.06 -41.01 3.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.144 -0.972 . . . . 10.0 109.941 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 2.4 mtt180 -59.28 -41.57 89.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.181 -0.949 . . . . 10.0 109.914 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.675 HD12 ' O ' ' B' ' 37' ' ' TYR . 2.5 mp -57.43 -36.85 71.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.292 -0.88 . . . . 10.0 109.999 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.623 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -67.18 -9.42 39.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.358 -0.839 . . . . 10.0 110.154 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -128.47 1.34 5.62 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.166 -0.959 . . . . 10.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -123.92 -73.44 0.64 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.282 -0.886 . . . . 10.0 110.558 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.613 ' C ' ' O ' ' B' ' 44' ' ' ALA . 10.8 tpp180 -15.81 84.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.225 0.536 . . . . 10.0 111.45 -178.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' B' ' 44' ' ' ALA . 30.2 tpt85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.952 -1.023 . . . . 10.0 110.15 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 1' ' ' HIS . 3.3 t-80 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.224 0.535 . . . . 10.0 110.167 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' GLY . 3.9 mtt -110.84 54.16 0.68 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 10.0 110.233 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' MET . . . 43.29 -116.99 1.48 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.521 -1.432 . . . . 10.0 109.521 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.62 -179.79 6.66 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.286 -1.126 . . . . 10.0 110.138 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.776 HG23 ' O ' ' A' ' 5' ' ' ILE . 1.2 tp -120.17 41.56 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.186 -0.946 . . . . 10.0 110.248 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -132.67 -162.32 1.22 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.281 -0.887 . . . . 10.0 110.166 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.72 HD12 ' C ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -133.49 125.15 18.47 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.328 -0.857 . . . . 10.0 110.098 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.32 110.77 2.93 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 O-C-N 123.911 1.48 . . . . 10.0 110.648 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 45.9 Cg_endo -72.89 179.16 5.58 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 123.969 1.51 . . . . 10.0 110.44 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.66 -12.99 20.61 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.5 -1.44 . . . . 10.0 109.5 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.774 HD22 HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -69.46 -26.56 64.64 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -1.153 . . . . 10.0 110.196 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 88.9 m -48.55 -43.94 36.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.283 -0.885 . . . . 10.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' LEU . 1.9 mm-40 -53.62 -78.44 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 10.0 110.564 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' GLU . 1.7 mp -40.12 -52.21 2.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.359 -0.838 . . . . 10.0 110.658 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.774 HD22 HD22 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -57.54 -59.74 4.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.194 -0.941 . . . . 10.0 110.625 -179.564 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 12' ' ' THR . 1.3 tt0 -38.98 -63.41 0.53 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.169 -0.957 . . . . 10.0 109.917 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.542 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.16 -51.59 8.77 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.736 -1.745 . . . . 10.0 108.736 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.696 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -42.04 -64.71 0.55 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.29 -1.124 . . . . 10.0 109.897 179.496 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.609 ' O ' ' HB2' ' A' ' 23' A LEU . 0.8 OUTLIER -48.69 -30.87 5.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 10.0 109.79 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 54.8 t -78.6 -26.2 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.27 -0.894 . . . . 10.0 110.163 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -89.75 -47.86 7.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.159 -0.963 . . . . 10.0 109.814 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 18' ' ' TYR . 2.8 t -65.5 -20.34 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.489 -0.757 . . . . 10.0 110.087 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' A LEU . . . . . 0.609 ' HB2' ' O ' ' A' ' 19' ' ' THR . 7.6 tt -85.18 -48.9 8.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.216 -0.928 . . . . 10.0 110.026 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 1.4 mtt-85 -68.82 -65.19 0.73 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 10.0 110.008 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -62.86 -30.8 71.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.231 -0.918 . . . . 10.0 110.168 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.479 ' C ' ' O ' ' A' ' 25' ' ' GLN . 1.7 mt-30 37.82 70.24 1.27 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.414 -0.804 . . . . 10.0 110.16 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.9 157.82 60.33 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 O-C-N 124.061 1.558 . . . . 10.0 110.639 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 42.5 Cg_endo -69.05 -20.89 37.57 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 124.036 1.545 . . . . 10.0 110.266 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.463 ' OD2' ' OD2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -145.11 121.12 10.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.351 -0.843 . . . . 10.0 109.817 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.609 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -69.81 -68.84 0.39 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.254 -0.904 . . . . 10.0 110.461 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.609 ' C ' ' O ' ' A' ' 30' ' ' LEU . 5.5 t -22.73 -66.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.596 -0.69 . . . . 10.0 110.458 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -53.26 -49.62 66.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.504 -0.747 . . . . 10.0 109.582 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.597 ' N ' ' O ' ' A' ' 30' ' ' LEU . 89.5 t80 -54.59 -37.12 65.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 10.0 109.621 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -63.07 -49.77 73.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 10.0 109.991 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.538 HG22 ' N ' ' B' ' 39' ' ' THR . 89.8 t -62.65 -21.45 27.52 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.318 -0.864 . . . . 10.0 110.237 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 3.6 mt-10 -85.22 -49.63 8.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.307 -0.871 . . . . 10.0 110.312 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.48 ' CD1' ' OE1' ' A' ' 21' ' ' GLU . 40.3 t80 -62.75 -53.69 50.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.319 -0.863 . . . . 10.0 110.407 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.489 ' CG ' ' HB1' ' B' ' 34' ' ' ALA . 9.6 m-85 -62.7 -52.49 63.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.291 -0.881 . . . . 10.0 110.423 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.557 ' N ' HG22 ' B' ' 35' ' ' VAL . 5.0 m -48.84 -55.36 11.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.112 -0.993 . . . . 10.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -55.21 -30.06 59.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.21 -0.931 . . . . 10.0 110.136 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -64.85 -53.22 50.23 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 10.0 109.935 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -13.95 62.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.191 -0.943 . . . . 10.0 109.905 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 1.2 tp10 -105.88 -10.89 16.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.35 -0.844 . . . . 10.0 109.718 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.604 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -51.41 -70.87 0.07 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.355 -0.841 . . . . 10.0 110.586 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.604 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -22.14 133.89 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.302 0.572 . . . . 10.0 111.18 -178.668 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.034 -0.984 . . . . 10.0 110.128 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.464 ' O ' ' CG ' ' B' ' 1' ' ' HIS . 3.2 t-80 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.253 0.549 . . . . 10.0 110.165 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' MET . . . . . 0.423 ' O ' ' C ' ' B' ' 3' ' ' GLY . 3.6 mtt -110.4 54.39 0.67 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.291 -0.88 . . . . 10.0 110.245 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' B' ' 2' ' ' MET . . . 43.44 -117.09 1.57 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.49 -1.444 . . . . 10.0 109.49 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.44 -179.5 6.46 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.308 -1.113 . . . . 10.0 110.162 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.777 ' O ' HG23 ' B' ' 5' ' ' ILE . 1.2 tp -120.57 41.63 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.196 -0.94 . . . . 10.0 110.273 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -132.71 -162.38 1.23 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.232 -0.918 . . . . 10.0 110.184 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.72 ' C ' HD12 ' B' ' 7' ' ' ILE . 0.9 OUTLIER -133.39 125.1 18.54 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.299 -0.876 . . . . 10.0 110.086 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -71.33 110.99 2.98 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 O-C-N 123.886 1.466 . . . . 10.0 110.6 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' B' ' 7' ' ' ILE . 45.3 Cg_endo -72.95 179.38 5.4 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 O-C-N 123.995 1.524 . . . . 10.0 110.389 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.04 -12.25 22.23 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.469 -1.452 . . . . 10.0 109.469 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.776 HD22 HD22 ' B' ' 15' ' ' LEU . 0.4 OUTLIER -69.69 -27.58 65.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.196 -1.179 . . . . 10.0 110.207 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 99.9 m -47.62 -44.81 27.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 10.0 110.255 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' B' ' 14' ' ' LEU . 1.8 mm-40 -52.48 -78.38 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.467 -0.771 . . . . 10.0 110.579 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' B' ' 13' ' ' GLU . 1.8 mp -40.38 -52.61 2.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.341 -0.849 . . . . 10.0 110.786 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.776 HD22 HD22 ' B' ' 11' ' ' LEU . 0.9 OUTLIER -57.33 -59.66 4.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.216 -0.928 . . . . 10.0 110.691 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.549 ' HB2' ' O ' ' B' ' 12' ' ' THR . 1.4 tt0 -38.93 -63.53 0.52 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.118 -0.989 . . . . 10.0 109.87 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.0 -51.51 8.44 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.787 -1.725 . . . . 10.0 108.787 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.696 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.5 OUTLIER -42.19 -64.5 0.58 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.331 -1.1 . . . . 10.0 110.003 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.609 ' O ' ' HB2' ' B' ' 23' B LEU . 0.8 OUTLIER -48.74 -30.97 6.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 10.0 109.812 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.566 ' O ' ' HG3' ' B' ' 24' ' ' ARG . 56.1 t -78.51 -26.03 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.239 -0.913 . . . . 10.0 110.193 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.9 OUTLIER -89.97 -48.0 7.49 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.16 -0.963 . . . . 10.0 109.79 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 18' ' ' TYR . 2.8 t -65.34 -20.24 27.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.587 -0.696 . . . . 10.0 110.113 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' B LEU . . . . . 0.625 HD11 ' CG2' ' A' ' 7' ' ' ILE . 7.6 tt -85.25 -48.91 8.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.371 -0.83 . . . . 10.0 109.947 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' B' ' 20' ' ' VAL . 1.4 mtt-85 -69.04 -65.3 0.72 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 10.0 110.089 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.482 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -62.36 -30.92 71.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.261 -0.899 . . . . 10.0 110.079 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' B' ' 25' ' ' GLN . 1.7 mt-30 37.73 70.08 1.29 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.417 -0.802 . . . . 10.0 110.058 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.89 158.1 59.21 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.059 1.557 . . . . 10.0 110.633 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.456 ' HG2' ' OD1' ' B' ' 29' ' ' ASP . 42.8 Cg_endo -69.08 -21.32 36.82 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 O-C-N 124.12 1.59 . . . . 10.0 110.221 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.464 ' OD2' ' OD2' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -144.62 121.65 11.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.446 -0.784 . . . . 10.0 109.775 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.605 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.1 OUTLIER -70.1 -68.6 0.41 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 10.0 110.509 -179.71 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.605 ' C ' ' O ' ' B' ' 30' ' ' LEU . 5.5 t -22.99 -66.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.602 -0.686 . . . . 10.0 110.546 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.479 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -53.09 -49.52 66.27 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.547 -0.721 . . . . 10.0 109.53 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.591 ' N ' ' O ' ' B' ' 30' ' ' LEU . 89.6 t80 -54.72 -37.17 65.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 10.0 109.672 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.696 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -63.03 -49.35 74.93 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.332 -0.855 . . . . 10.0 110.069 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.557 HG22 ' N ' ' A' ' 39' ' ' THR . 88.4 t -62.88 -21.52 28.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 O-C-N 121.391 -0.818 . . . . 10.0 110.223 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 3.6 mt-10 -85.3 -49.72 7.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.332 -0.855 . . . . 10.0 110.223 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.464 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 41.0 t80 -62.66 -53.67 51.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 10.0 110.331 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 10.2 m-85 -62.75 -52.96 61.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.261 -0.899 . . . . 10.0 110.462 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.538 ' N ' HG22 ' A' ' 35' ' ' VAL . 5.0 m -48.18 -55.29 10.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.066 -1.021 . . . . 10.0 109.998 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -55.42 -30.59 60.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.241 -0.912 . . . . 10.0 110.13 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 0.8 OUTLIER -64.22 -52.83 56.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.139 -0.975 . . . . 10.0 109.933 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -14.06 62.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.182 -0.949 . . . . 10.0 109.9 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.438 ' O ' ' OE2' ' B' ' 43' ' ' GLU . 1.2 tp10 -105.71 -10.99 16.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.419 -0.801 . . . . 10.0 109.713 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.604 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -51.4 -70.87 0.07 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.278 -0.889 . . . . 10.0 110.626 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.604 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -22.24 134.17 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.292 0.568 . . . . 10.0 111.15 -178.679 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 118.047 -0.978 . . . . 10.0 110.241 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 38.7 m80 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.215 0.531 . . . . 10.0 110.177 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.5 tpt -119.53 -48.92 2.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.269 -0.894 . . . . 10.0 110.042 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.05 -128.8 1.99 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.49 -1.444 . . . . 10.0 109.49 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -111.45 178.02 4.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.207 -1.172 . . . . 10.0 110.067 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 6' ' ' GLN . 0.8 OUTLIER -138.58 -166.71 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.921 . . . . 10.0 110.163 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.636 ' N ' HG23 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -164.38 152.73 12.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.203 -0.936 . . . . 10.0 110.161 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.438 ' HA ' HD13 ' A' ' 7' ' ' ILE . 5.1 mm -148.11 115.12 3.97 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.932 . . . . 10.0 110.18 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.21 145.74 49.64 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 124.012 1.533 . . . . 10.0 110.693 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.0 157.23 47.14 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 O-C-N 124.001 1.527 . . . . 10.0 110.448 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.07 -29.6 6.39 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.546 -1.422 . . . . 10.0 109.546 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp -57.58 -53.93 52.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -1.164 . . . . 10.0 110.217 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -51.22 -32.95 25.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.92 . . . . 10.0 110.114 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -62.2 -55.36 29.31 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.343 -0.848 . . . . 10.0 110.089 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.583 HD13 HD23 ' B' ' 30' ' ' LEU . 8.2 mt -54.43 -58.23 8.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.268 -0.895 . . . . 10.0 110.132 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' GLN . 22.1 mt -51.68 -50.43 60.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 10.0 110.278 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -42.2 -58.08 2.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.166 -0.959 . . . . 10.0 109.916 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -44.6 -49.62 8.6 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.953 -1.659 . . . . 10.0 108.953 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.774 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -41.07 -63.28 0.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -1.076 . . . . 10.0 110.096 179.602 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.45 ' O ' HD12 ' A' ' 23' A LEU . 0.5 OUTLIER -48.83 -35.33 14.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.363 -0.836 . . . . 10.0 109.703 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.541 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 20.8 t -73.29 -25.47 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.386 -0.821 . . . . 10.0 110.038 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.575 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -90.96 -56.71 3.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.291 -0.881 . . . . 10.0 109.775 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 18' ' ' TYR . 3.4 t -49.45 -27.87 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 C-N-CA 120.158 -0.617 . . . . 10.0 109.977 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' A LEU . . . . . 0.45 HD12 ' O ' ' A' ' 19' ' ' THR . 87.2 mt -88.3 -36.0 16.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.355 -0.841 . . . . 10.0 110.0 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -77.42 -48.31 17.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.27 -0.894 . . . . 10.0 110.131 179.722 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.504 ' O ' ' C ' ' A' ' 26' ' ' GLN . 9.7 mm100 -88.26 -22.58 23.85 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.255 -0.903 . . . . 10.0 110.47 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.504 ' C ' ' O ' ' A' ' 25' ' ' GLN . 27.0 mm-40 36.47 72.67 0.76 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 10.0 109.835 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.611 ' HG3' ' CG ' ' A' ' 33' ' ' PHE . 43.3 Cg_endo -68.92 160.66 48.9 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 O-C-N 124.106 1.582 . . . . 10.0 110.992 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.57 -14.53 36.84 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 124.223 1.643 . . . . 10.0 110.438 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -160.62 119.65 2.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.319 -0.863 . . . . 10.0 110.182 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.565 HD23 HD13 ' B' ' 14' ' ' LEU . 11.5 tp -58.23 -61.32 2.65 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.251 -0.905 . . . . 10.0 110.366 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 30' ' ' LEU . 23.1 t -33.63 -69.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.371 -0.831 . . . . 10.0 110.11 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -53.34 -42.42 66.76 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.495 -0.753 . . . . 10.0 110.063 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.675 ' CE2' HG22 ' A' ' 22' ' ' VAL . 26.5 t80 -60.46 -40.28 90.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.917 . . . . 10.0 109.852 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.774 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.76 -37.78 74.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.352 -0.842 . . . . 10.0 110.216 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' B' ' 38' ' ' PHE . 20.2 t -70.57 -48.48 58.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.315 -0.866 . . . . 10.0 110.31 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.1 mm-40 -54.1 -56.44 18.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.405 -0.809 . . . . 10.0 110.765 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.32 -58.68 7.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.986 . . . . 10.0 110.666 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.7 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 14.6 m-85 -60.04 -53.68 55.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.239 -0.913 . . . . 10.0 110.653 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.506 ' HA ' HG21 ' B' ' 35' ' ' VAL . 23.6 m -52.33 -37.31 55.58 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.063 -1.023 . . . . 10.0 110.329 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 5.9 mtp180 -79.47 -40.63 29.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.147 -0.971 . . . . 10.0 110.1 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -47.91 -29.27 3.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.198 -0.939 . . . . 10.0 110.126 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -45.16 80.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 10.0 109.957 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' OE1' ' HA ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER -60.94 -28.73 69.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 10.0 110.224 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.545 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -56.14 -70.48 0.11 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.265 -0.897 . . . . 10.0 110.571 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.545 ' C ' ' O ' ' A' ' 44' ' ' ALA . 1.3 mmt180 -28.02 -92.09 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.189 0.518 . . . . 10.0 110.94 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.457 ' NH2' ' HG3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.936 -1.031 . . . . 10.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 38.6 m80 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.258 0.551 . . . . 10.0 110.238 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 1.5 tpt -120.75 -49.12 2.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.277 -0.89 . . . . 10.0 110.048 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.09 -128.53 1.94 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.366 -1.494 . . . . 10.0 109.366 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -111.84 177.58 4.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.242 -1.152 . . . . 10.0 110.145 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.626 HG23 ' N ' ' B' ' 6' ' ' GLN . 0.8 OUTLIER -138.17 -167.0 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 10.0 110.242 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.626 ' N ' HG23 ' B' ' 5' ' ' ILE . 0.6 OUTLIER -164.48 153.02 12.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 10.0 110.181 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' B' ' 7' ' ' ILE . 4.9 mm -148.44 115.38 3.89 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.257 -0.902 . . . . 10.0 110.165 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.16 146.06 50.7 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 O-C-N 124.01 1.531 . . . . 10.0 110.759 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -74.18 156.93 46.63 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 123.967 1.509 . . . . 10.0 110.404 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.12 -29.21 6.66 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.582 -1.407 . . . . 10.0 109.582 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.0 tp -57.65 -53.78 54.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.223 -1.163 . . . . 10.0 110.226 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 0.4 OUTLIER -51.61 -32.91 30.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.272 -0.893 . . . . 10.0 110.148 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.81 -55.23 32.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.875 . . . . 10.0 110.137 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.565 HD13 HD23 ' A' ' 30' ' ' LEU . 7.9 mt -54.52 -58.54 7.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.282 -0.886 . . . . 10.0 110.135 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' B' ' 16' ' ' GLN . 21.3 mt -51.36 -50.61 59.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.257 -0.902 . . . . 10.0 110.201 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.9 OUTLIER -42.14 -58.06 2.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 10.0 109.828 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.526 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -44.55 -49.89 8.45 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.899 -1.68 . . . . 10.0 108.899 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.766 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.6 OUTLIER -41.08 -63.34 0.69 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.411 -1.052 . . . . 10.0 110.153 179.673 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.443 ' O ' HD12 ' B' ' 23' B LEU . 0.5 OUTLIER -48.6 -35.48 13.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 10.0 109.661 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.542 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 20.8 t -73.1 -25.77 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.433 -0.792 . . . . 10.0 110.122 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.575 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.6 OUTLIER -90.59 -56.92 3.01 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.27 -0.894 . . . . 10.0 109.807 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 18' ' ' TYR . 3.4 t -49.23 -27.94 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.607 -0.683 . . . . 10.0 109.993 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' B LEU . . . . . 0.443 HD12 ' O ' ' B' ' 19' ' ' THR . 86.1 mt -88.31 -35.96 16.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.293 -0.879 . . . . 10.0 110.004 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.542 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -77.61 -48.31 17.19 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.3 -0.875 . . . . 10.0 110.07 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.507 ' O ' ' C ' ' B' ' 26' ' ' GLN . 9.7 mm100 -88.11 -22.67 23.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 10.0 110.394 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' B' ' 25' ' ' GLN . 5.0 mm100 36.6 72.89 0.74 Allowed Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.332 -0.855 . . . . 10.0 109.915 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.615 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 42.9 Cg_endo -69.07 160.37 50.17 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 O-C-N 124.013 1.533 . . . . 10.0 110.909 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.42 -14.45 37.19 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 O-C-N 124.085 1.571 . . . . 10.0 110.414 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -160.84 119.54 2.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.442 -0.786 . . . . 10.0 110.067 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.583 HD23 HD13 ' A' ' 14' ' ' LEU . 11.9 tp -58.29 -61.16 2.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.283 -0.885 . . . . 10.0 110.294 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.527 ' C ' ' O ' ' B' ' 30' ' ' LEU . 23.3 t -33.53 -69.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.45 -0.781 . . . . 10.0 110.164 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -53.73 -42.62 68.31 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.583 -0.698 . . . . 10.0 110.072 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.67 ' CE2' HG22 ' B' ' 22' ' ' VAL . 26.4 t80 -60.12 -40.78 90.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 10.0 109.778 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.766 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -57.07 -37.8 72.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.366 -0.834 . . . . 10.0 110.128 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.686 HG23 ' HB3' ' A' ' 38' ' ' PHE . 23.8 t -70.58 -48.97 55.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.278 -0.889 . . . . 10.0 110.366 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 1.2 mm-40 -53.58 -56.69 14.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.373 -0.83 . . . . 10.0 110.679 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.85 -58.81 6.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.206 -0.934 . . . . 10.0 110.654 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.708 ' HB3' HG23 ' A' ' 35' ' ' VAL . 15.3 m-85 -60.4 -53.2 60.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 10.0 110.697 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.501 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 24.3 m -52.8 -36.65 58.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.03 -1.044 . . . . 10.0 110.303 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 5.8 mtp180 -80.2 -40.66 26.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.186 -0.946 . . . . 10.0 110.097 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' B' ' 41' ' ' LEU . 0.2 OUTLIER -47.23 -31.75 3.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.192 -0.942 . . . . 10.0 110.133 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -45.37 89.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.228 -0.92 . . . . 10.0 110.069 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.427 ' OE1' ' HA ' ' B' ' 43' ' ' GLU . 0.5 OUTLIER -60.89 -28.3 68.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.234 -0.916 . . . . 10.0 110.206 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.531 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -57.3 -67.04 0.36 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.255 -0.903 . . . . 10.0 110.526 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.531 ' C ' ' O ' ' B' ' 44' ' ' ALA . 1.2 mmt180 -30.54 -91.74 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.223 0.535 . . . . 10.0 110.911 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.455 ' HG3' ' NH2' ' B' ' 46' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 117.937 -1.03 . . . . 10.0 109.982 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.487 ' O ' ' CB ' ' A' ' 2' ' ' MET . 14.1 m-70 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.225 0.536 . . . . 10.0 110.093 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.487 ' CB ' ' O ' ' A' ' 1' ' ' HIS . 0.0 OUTLIER 68.97 -56.11 0.54 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.165 -0.959 . . . . 10.0 110.235 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 1' ' ' HIS . . . -69.14 148.18 47.22 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.594 -1.402 . . . . 10.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -143.62 -89.97 0.12 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.283 -1.128 . . . . 10.0 110.031 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.528 ' O ' ' CG2' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -133.88 125.66 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 10.0 110.12 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.17 102.49 4.84 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.241 -0.912 . . . . 10.0 110.232 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.752 HD12 ' C ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -114.61 132.4 22.9 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.304 -0.873 . . . . 10.0 110.127 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.553 ' HG2' ' HB2' ' A' ' 11' ' ' LEU . 42.5 Cg_endo -69.79 139.74 40.84 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 O-C-N 123.997 1.525 . . . . 10.0 110.7 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.56 139.79 31.83 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 O-C-N 124.083 1.57 . . . . 10.0 110.868 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.55 ' O ' ' HB2' ' A' ' 14' ' ' LEU . . . 85.06 -20.11 18.08 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.724 -1.35 . . . . 10.0 109.724 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 11' ' ' LEU . 2.9 tm? -52.59 -61.48 2.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -1.162 . . . . 10.0 110.563 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 13' ' ' GLU . 42.7 m -55.19 -73.47 0.05 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.237 -0.914 . . . . 10.0 110.506 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' N ' ' A' ' 14' ' ' LEU . 1.3 tt0 -38.88 -46.84 1.35 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.441 -0.787 . . . . 10.0 110.509 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 10' ' ' GLY . 6.3 tp -58.1 -66.59 0.46 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.086 -1.009 . . . . 10.0 110.434 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 16' ' ' GLN . 3.7 mp -45.5 -54.6 7.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.143 -0.973 . . . . 10.0 110.172 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.603 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -40.4 -55.85 2.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 10.0 109.815 179.673 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.558 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.46 -57.09 5.98 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 108.979 -1.648 . . . . 10.0 108.979 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.718 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -37.71 -63.97 0.42 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.407 -1.054 . . . . 10.0 110.285 179.776 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.805 ' O ' HD12 ' A' ' 23' A LEU . 0.6 OUTLIER -52.29 -33.11 40.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -0.932 . . . . 10.0 109.376 179.733 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 46.4 t -75.74 -23.38 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.509 -0.745 . . . . 10.0 110.29 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.558 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -94.03 -61.25 1.57 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.037 -1.039 . . . . 10.0 109.655 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 18' ' ' TYR . 8.5 t -47.6 -33.15 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.564 -0.71 . . . . 10.0 110.348 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' A LEU . . . . . 0.805 HD12 ' O ' ' A' ' 19' ' ' THR . 41.4 mt -86.38 -40.05 15.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.222 -0.924 . . . . 10.0 110.344 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -85.64 13.81 6.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.107 -0.996 . . . . 10.0 110.457 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' A' ' 26' ' ' GLN . 4.9 pt20 -165.1 20.68 0.05 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.105 -0.997 . . . . 10.0 110.611 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -3.35 91.08 0.03 OUTLIER Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.555 -0.716 . . . . 10.0 111.107 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 42.5 Cg_endo -68.78 170.19 15.93 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 124.069 1.562 . . . . 10.0 110.84 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.02 -33.57 19.08 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 O-C-N 124.146 1.603 . . . . 10.0 110.584 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.693 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -142.15 150.38 41.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.365 -0.834 . . . . 10.0 109.844 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 30' ' ' LEU . 1.6 tm? -90.62 -70.41 0.68 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.152 -0.967 . . . . 10.0 110.273 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.529 ' C ' ' O ' ' A' ' 30' ' ' LEU . 16.6 t -34.95 -65.39 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.387 -0.821 . . . . 10.0 109.915 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.69 -38.23 64.02 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.61 -0.681 . . . . 10.0 109.97 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 82.7 t80 -64.01 -38.68 91.94 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.147 -0.971 . . . . 10.0 109.814 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.718 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -65.57 -23.87 66.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 10.0 109.826 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.578 HG21 ' CA ' ' B' ' 39' ' ' THR . 3.0 t -89.68 -50.64 12.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.364 -0.835 . . . . 10.0 110.184 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -57.43 -35.13 69.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 10.0 109.851 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 22.7 t80 -73.83 -58.56 3.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 10.0 110.259 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 21.7 m-85 -65.27 -41.82 93.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 10.0 110.305 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.633 ' CA ' HG21 ' B' ' 35' ' ' VAL . 51.6 m -52.3 -41.85 63.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.067 -1.021 . . . . 10.0 110.061 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 14.2 mtm180 -71.74 -39.48 70.03 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.204 -0.935 . . . . 10.0 109.872 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.39 -43.71 44.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.317 -0.864 . . . . 10.0 110.092 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.518 ' HG2' HG12 ' B' ' 31' ' ' VAL . 16.3 mmm-85 -51.62 -28.85 15.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.2 -0.938 . . . . 10.0 110.153 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -75.13 -16.39 60.54 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.284 -0.885 . . . . 10.0 110.599 -179.744 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.614 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -62.15 -69.87 0.23 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.094 -1.004 . . . . 10.0 110.51 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.614 ' C ' ' O ' ' A' ' 44' ' ' ALA . 12.9 mmt180 -20.83 -89.24 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.295 0.569 . . . . 10.0 111.114 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.7 tpt85 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.921 -1.038 . . . . 10.0 110.145 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' B' ' 2' ' ' MET . 14.3 m-70 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.221 0.534 . . . . 10.0 110.142 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' MET . . . . . 0.484 ' CB ' ' O ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER 68.82 -56.23 0.53 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.21 -0.931 . . . . 10.0 110.244 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 1' ' ' HIS . . . -68.56 147.66 47.29 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.586 -1.406 . . . . 10.0 109.586 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -143.36 -89.78 0.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -1.193 . . . . 10.0 110.14 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.525 ' O ' ' CG2' ' B' ' 5' ' ' ILE . 0.4 OUTLIER -134.02 125.79 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 10.0 109.985 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.93 101.89 4.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.206 -0.934 . . . . 10.0 110.234 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.746 ' C ' HD12 ' B' ' 7' ' ' ILE . 1.0 OUTLIER -114.23 132.22 22.86 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 10.0 110.07 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.555 ' HG2' ' HB2' ' B' ' 11' ' ' LEU . 42.7 Cg_endo -69.94 139.6 39.98 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 O-C-N 123.971 1.511 . . . . 10.0 110.659 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.68 139.89 31.63 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 O-C-N 124.099 1.579 . . . . 10.0 110.792 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.555 ' O ' ' HB2' ' B' ' 14' ' ' LEU . . . 85.12 -19.98 19.06 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.769 -1.333 . . . . 10.0 109.769 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.62 HD13 ' C ' ' B' ' 11' ' ' LEU . 2.9 tm? -52.95 -62.69 1.49 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.255 -1.144 . . . . 10.0 110.599 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.436 ' O ' ' C ' ' B' ' 13' ' ' GLU . 50.3 m -53.71 -73.53 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.265 -0.897 . . . . 10.0 110.498 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' B' ' 14' ' ' LEU . 1.3 tt0 -38.95 -46.83 1.37 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.502 -0.749 . . . . 10.0 110.625 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.555 ' HB2' ' O ' ' B' ' 10' ' ' GLY . 6.5 tp -58.28 -66.06 0.55 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.107 -0.996 . . . . 10.0 110.407 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' B' ' 16' ' ' GLN . 3.9 mp -45.89 -54.32 8.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.164 -0.96 . . . . 10.0 110.164 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.619 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.0 OUTLIER -40.55 -55.59 2.28 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 10.0 109.811 179.73 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.557 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.55 -57.42 5.86 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.869 -1.693 . . . . 10.0 108.869 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.779 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.7 OUTLIER -37.19 -64.13 0.39 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.469 -1.018 . . . . 10.0 110.364 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.816 ' O ' HD12 ' B' ' 23' B LEU . 0.6 OUTLIER -52.45 -33.45 44.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.168 -0.957 . . . . 10.0 109.385 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.619 HG23 ' O ' ' B' ' 16' ' ' GLN . 45.0 t -75.26 -23.59 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.48 -0.762 . . . . 10.0 110.289 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.557 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.2 OUTLIER -94.02 -62.23 1.38 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.073 -1.017 . . . . 10.0 109.673 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.468 ' H ' HG23 ' B' ' 22' ' ' VAL . 10.0 t -46.72 -33.12 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.596 -0.69 . . . . 10.0 110.352 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' B LEU . . . . . 0.816 HD12 ' O ' ' B' ' 19' ' ' THR . 41.8 mt -86.41 -40.07 15.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.12 -0.988 . . . . 10.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -85.51 13.94 6.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.207 -0.933 . . . . 10.0 110.477 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' B' ' 26' ' ' GLN . 5.1 pt20 -165.29 20.84 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.125 -0.985 . . . . 10.0 110.589 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER -3.71 91.19 0.03 OUTLIER Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 121.597 -0.689 . . . . 10.0 111.092 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' B' ' 22' ' ' VAL . 43.3 Cg_endo -68.88 170.23 15.98 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 124.054 1.555 . . . . 10.0 110.792 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.26 -32.64 20.21 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 O-C-N 124.065 1.56 . . . . 10.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.696 ' O ' ' HB2' ' B' ' 33' ' ' PHE . 0.5 OUTLIER -142.87 150.2 39.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 10.0 109.867 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.638 HD13 ' C ' ' B' ' 30' ' ' LEU . 1.7 tm? -90.66 -70.11 0.69 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.054 -1.029 . . . . 10.0 110.301 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.525 ' C ' ' O ' ' B' ' 30' ' ' LEU . 15.5 t -35.1 -65.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.401 -0.812 . . . . 10.0 109.981 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -54.15 -38.28 65.33 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.596 -0.69 . . . . 10.0 109.997 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.696 ' HB2' ' O ' ' B' ' 29' ' ' ASP . 82.6 t80 -63.96 -39.0 93.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.278 -0.889 . . . . 10.0 109.749 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.779 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -64.79 -23.99 67.41 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.362 -0.836 . . . . 10.0 109.792 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.633 HG21 ' CA ' ' A' ' 39' ' ' THR . 3.3 t -90.1 -51.3 12.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.348 -0.845 . . . . 10.0 110.324 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -56.63 -34.54 67.37 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.258 -0.901 . . . . 10.0 109.826 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.481 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 22.4 t80 -74.51 -59.06 2.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.199 -0.938 . . . . 10.0 110.209 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 21.6 m-85 -64.89 -42.08 95.07 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.174 -0.954 . . . . 10.0 110.368 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.578 ' CA ' HG21 ' A' ' 35' ' ' VAL . 55.0 m -52.39 -41.92 63.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.165 -0.959 . . . . 10.0 110.058 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' B' ' 36' ' ' GLU . 13.3 mtm180 -71.45 -39.47 70.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.23 -0.918 . . . . 10.0 109.786 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.55 -42.82 45.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.291 -0.881 . . . . 10.0 110.11 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.421 ' HG2' HG12 ' A' ' 31' ' ' VAL . 14.9 mmm-85 -52.4 -28.6 20.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.937 . . . . 10.0 110.203 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.42 -15.75 60.41 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.35 -0.844 . . . . 10.0 110.547 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.609 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -62.66 -69.96 0.23 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.194 -0.941 . . . . 10.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.609 ' C ' ' O ' ' B' ' 44' ' ' ALA . 12.3 mmt180 -20.62 -89.11 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 121.29 0.566 . . . . 10.0 111.143 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 34.9 tpt85 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.992 -1.004 . . . . 10.0 110.155 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.6 m80 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.266 0.555 . . . . 10.0 110.133 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.1 ttt 48.18 60.9 3.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.306 -0.871 . . . . 10.0 110.111 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.64 -43.04 0.1 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.475 -1.45 . . . . 10.0 109.475 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.21 167.85 28.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.292 -1.123 . . . . 10.0 110.056 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.9 mm -130.77 117.25 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.226 -0.921 . . . . 10.0 110.269 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.69 43.44 1.0 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.222 -0.924 . . . . 10.0 110.082 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 41.2 mm -114.52 112.15 46.06 Favored Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.291 -0.88 . . . . 10.0 110.223 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 45.4 Cg_endo -71.03 130.7 18.19 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 O-C-N 123.97 1.51 . . . . 10.0 110.547 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -72.89 -171.21 0.73 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 123.921 1.485 . . . . 10.0 110.459 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.99 -37.36 3.44 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.492 -1.443 . . . . 10.0 109.492 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.447 HD13 HD11 ' B' ' 30' ' ' LEU . 22.4 tp -75.88 -9.71 58.83 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.267 -1.137 . . . . 10.0 110.267 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.478 ' CG2' ' OE1' ' A' ' 16' ' ' GLN . 3.4 m -61.25 -64.01 1.09 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.27 -0.894 . . . . 10.0 110.392 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.7 tp10 -39.09 -55.79 1.55 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.508 -0.745 . . . . 10.0 110.387 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.7 -68.51 0.19 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.207 -0.933 . . . . 10.0 110.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.497 ' HG ' ' HG ' ' B' ' 15' ' ' LEU . 7.6 mp -59.15 -55.54 33.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.904 . . . . 10.0 110.417 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.478 ' OE1' ' CG2' ' A' ' 12' ' ' THR . 1.9 tt0 -40.77 -55.48 2.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.316 -0.865 . . . . 10.0 109.905 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -45.62 -53.69 8.23 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.071 -1.612 . . . . 10.0 109.071 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.698 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -39.84 -62.29 0.73 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.418 -1.048 . . . . 10.0 110.312 179.741 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -49.64 -32.21 12.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.931 . . . . 10.0 109.748 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.543 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 41.4 t -76.91 -22.65 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.424 -0.797 . . . . 10.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.541 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -95.12 -54.79 3.3 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.069 -1.019 . . . . 10.0 109.699 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 18' ' ' TYR . 4.5 t -53.93 -29.54 18.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.598 -0.689 . . . . 10.0 110.115 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' A LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 19' ' ' THR . 43.5 mt -90.05 -37.51 14.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.249 -0.907 . . . . 10.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 0.4 OUTLIER -83.86 38.17 0.63 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.193 -0.942 . . . . 10.0 110.167 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.562 ' HG3' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER 177.29 -28.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 10.0 109.813 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.562 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 40.21 86.85 0.12 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.347 -0.845 . . . . 10.0 110.586 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -71.58 165.26 33.06 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 O-C-N 123.833 1.438 . . . . 10.0 110.354 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.93 -22.78 35.51 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 123.929 1.489 . . . . 10.0 110.043 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.492 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 45.3 m-20 -151.11 118.26 5.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.467 -0.771 . . . . 10.0 109.652 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -65.32 -62.06 1.75 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.161 -0.962 . . . . 10.0 110.498 -179.644 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.3 t -33.32 -67.16 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.527 -0.733 . . . . 10.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.577 ' HB2' ' CZ ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -53.33 -36.7 61.59 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.527 -0.733 . . . . 10.0 109.947 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 92.9 t80 -66.88 -35.93 81.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.23 -0.919 . . . . 10.0 109.705 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.698 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -63.84 -33.67 76.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.434 -0.791 . . . . 10.0 110.032 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.588 ' O ' ' HB ' ' A' ' 39' ' ' THR . 12.0 t -76.65 -42.64 34.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 O-C-N 121.337 -0.852 . . . . 10.0 109.748 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 7.8 mt-10 -64.58 -37.9 89.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 10.0 110.549 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -65.38 -60.98 2.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.037 -1.039 . . . . 10.0 110.765 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.527 ' HB3' HG23 ' B' ' 35' ' ' VAL . 38.1 m-85 -65.25 -58.43 5.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.249 -0.907 . . . . 10.0 110.9 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 11.5 m -40.83 -41.31 1.55 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.066 -1.021 . . . . 10.0 110.173 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.588 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -70.09 -43.22 71.55 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.082 -1.011 . . . . 10.0 109.87 179.705 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 9.7 mt -44.62 -38.46 4.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.287 -0.883 . . . . 10.0 109.745 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.57 ' HD2' HG12 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -59.7 -32.47 70.54 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.276 -0.89 . . . . 10.0 109.7 179.575 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' O ' ' C ' ' A' ' 44' ' ' ALA . 12.1 mt-10 -97.66 8.88 43.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.404 -0.81 . . . . 10.0 110.163 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.661 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -36.85 -73.32 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.363 -0.835 . . . . 10.0 110.23 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.661 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER 4.57 103.91 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.262 0.553 . . . . 10.0 111.298 -179.348 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 46' ' ' ARG . 2.2 tpp180 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 117.911 -1.042 . . . . 10.0 110.068 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 16.1 m80 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.259 0.552 . . . . 10.0 110.136 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 2.1 ttt 47.5 60.24 3.61 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.177 -0.952 . . . . 10.0 110.222 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.53 -42.97 0.1 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.558 -1.417 . . . . 10.0 109.558 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.75 166.98 30.7 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.315 -1.109 . . . . 10.0 110.066 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 10.3 mm -129.69 117.61 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.252 -0.905 . . . . 10.0 110.318 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -149.09 43.58 0.96 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 10.0 109.999 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' B' ' 8' ' ' PRO . 40.8 mm -114.63 112.24 45.69 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.312 -0.867 . . . . 10.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' B' ' 7' ' ' ILE . 45.1 Cg_endo -70.94 130.66 18.22 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 124.043 1.549 . . . . 10.0 110.667 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.84 -172.0 0.88 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 123.925 1.487 . . . . 10.0 110.485 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.72 -37.41 3.43 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.495 -1.442 . . . . 10.0 109.495 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.526 HD13 HD11 ' A' ' 30' ' ' LEU . 21.6 tp -75.79 -9.61 58.74 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.261 -1.141 . . . . 10.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.491 ' CG2' ' OE1' ' B' ' 16' ' ' GLN . 3.3 m -61.23 -64.18 1.04 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.339 -0.85 . . . . 10.0 110.376 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.8 tp10 -38.88 -55.99 1.44 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.642 -0.661 . . . . 10.0 110.426 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.57 -68.67 0.18 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 10.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.497 ' HG ' ' HG ' ' A' ' 15' ' ' LEU . 7.9 mp -59.11 -55.29 36.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 10.0 110.453 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.491 ' OE1' ' CG2' ' B' ' 12' ' ' THR . 1.9 tt0 -40.9 -55.45 2.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.171 -0.956 . . . . 10.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 20' ' ' VAL . . . -45.85 -53.78 8.5 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.082 -1.607 . . . . 10.0 109.082 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.692 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.9 OUTLIER -39.57 -62.24 0.71 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.442 -1.034 . . . . 10.0 110.311 179.704 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -49.69 -32.12 12.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.284 -0.885 . . . . 10.0 109.835 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.543 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 40.7 t -77.07 -22.7 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 10.0 110.241 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.542 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.2 OUTLIER -94.95 -54.67 3.37 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.981 -1.074 . . . . 10.0 109.754 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 18' ' ' TYR . 4.5 t -54.07 -29.62 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.664 -0.647 . . . . 10.0 110.091 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' B LEU . . . . . 0.463 ' HB2' ' O ' ' B' ' 19' ' ' THR . 43.4 mt -89.98 -37.22 14.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.165 -0.959 . . . . 10.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.543 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.4 OUTLIER -83.91 37.43 0.6 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.098 -1.001 . . . . 10.0 110.256 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.57 ' HG3' ' N ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER 178.02 -28.68 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.324 -0.86 . . . . 10.0 109.856 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.57 ' N ' ' HG3' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 40.37 86.51 0.13 Allowed Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.341 -0.849 . . . . 10.0 110.665 179.614 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.38 165.32 32.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 O-C-N 123.948 1.499 . . . . 10.0 110.276 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.23 -22.99 33.71 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 O-C-N 123.899 1.473 . . . . 10.0 110.039 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.48 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 45.0 m-20 -150.91 117.97 5.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.387 -0.821 . . . . 10.0 109.737 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.536 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.2 OUTLIER -65.08 -62.44 1.55 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 10.0 110.354 -179.524 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.57 HG12 ' HD2' ' A' ' 42' ' ' ARG . 18.0 t -33.02 -67.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.452 -0.78 . . . . 10.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -52.82 -36.87 59.24 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.527 -0.733 . . . . 10.0 109.894 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' B' ' 30' ' ' LEU . 92.5 t80 -66.87 -35.99 81.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.323 -0.86 . . . . 10.0 109.701 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.692 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -63.52 -33.83 76.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.379 -0.826 . . . . 10.0 109.945 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.582 ' O ' ' HB ' ' B' ' 39' ' ' THR . 13.3 t -77.01 -42.68 32.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.34 -0.85 . . . . 10.0 109.616 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 7.2 mt-10 -64.19 -38.28 90.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 10.0 110.478 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -65.01 -60.88 2.55 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.021 -1.049 . . . . 10.0 110.829 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.556 ' HB3' HG23 ' A' ' 35' ' ' VAL . 39.2 m-85 -65.35 -58.52 5.7 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.154 -0.966 . . . . 10.0 110.821 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.582 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 8.5 m -40.79 -41.45 1.57 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.968 -1.083 . . . . 10.0 110.087 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -70.04 -43.53 71.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 10.0 109.833 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 9.3 mt -44.25 -38.47 3.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 10.0 109.681 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -59.38 -33.67 71.49 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.91 . . . . 10.0 109.777 179.568 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' B' ' 44' ' ' ALA . 12.4 mt-10 -96.38 9.32 41.6 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -0.822 . . . . 10.0 110.076 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.663 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -37.08 -73.75 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.366 -0.834 . . . . 10.0 110.078 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.663 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.1 OUTLIER 5.02 103.59 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 121.269 0.557 . . . . 10.0 111.257 -179.407 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.482 ' HB2' ' CZ ' ' B' ' 46' ' ' ARG . 2.2 tpp180 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.002 -0.999 . . . . 10.0 110.187 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 121.16 0.505 . . . . 10.0 110.242 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.451 ' HG2' ' N ' ' A' ' 3' ' ' GLY . 4.6 ttp -174.71 -66.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.099 -1.0 . . . . 10.0 110.135 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.451 ' N ' ' HG2' ' A' ' 2' ' ' MET . . . 43.63 -164.22 0.04 OUTLIER Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.564 -1.414 . . . . 10.0 109.564 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.539 ' C ' HD12 ' A' ' 5' ' ' ILE . 14.7 t-80 -107.88 4.34 25.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.251 -1.147 . . . . 10.0 110.202 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.787 HG22 ' O ' ' A' ' 5' ' ' ILE . 1.5 mp -111.03 90.65 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.234 -0.916 . . . . 10.0 110.043 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.432 ' O ' ' CG ' ' A' ' 6' ' ' GLN . 12.8 pt20 -151.85 131.06 12.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.345 -0.847 . . . . 10.0 110.104 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -140.21 133.28 14.98 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.923 . . . . 10.0 110.155 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.19 142.17 41.13 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 O-C-N 124.078 1.567 . . . . 10.0 110.632 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.25 -176.98 2.7 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 O-C-N 123.983 1.517 . . . . 10.0 110.453 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.18 -43.5 3.14 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.389 -1.484 . . . . 10.0 109.389 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tp -66.85 -50.19 63.32 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.224 -1.163 . . . . 10.0 110.038 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 1.3 m -53.27 -25.19 13.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.907 . . . . 10.0 110.237 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -75.84 -63.07 1.39 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 10.0 110.355 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.748 HD22 HD23 ' B' ' 30' ' ' LEU . 0.6 OUTLIER -46.26 -51.21 14.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.163 -0.961 . . . . 10.0 110.334 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 15' ' ' LEU . 5.7 mt -60.43 -51.59 68.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.169 -0.957 . . . . 10.0 110.098 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.595 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.4 tt0 -42.94 -50.6 5.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.212 -0.93 . . . . 10.0 109.727 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -53.08 -59.65 9.16 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.156 -1.578 . . . . 10.0 109.156 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.805 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -40.02 -58.59 1.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.384 -1.068 . . . . 10.0 110.105 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.99 -41.1 46.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.859 . . . . 10.0 109.618 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 16' ' ' GLN . 49.6 t -70.41 -27.81 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.358 -0.839 . . . . 10.0 110.217 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -88.34 -67.81 0.81 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.119 -0.988 . . . . 10.0 109.538 179.594 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 18' ' ' TYR . 6.2 t -41.55 -25.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.615 -0.678 . . . . 10.0 110.09 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' A LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' GLU . 3.5 tp -89.97 -32.78 16.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.273 -0.892 . . . . 10.0 110.466 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.548 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -87.89 11.96 14.37 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.185 -0.947 . . . . 10.0 110.806 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.659 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -168.54 44.15 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.941 -1.099 . . . . 10.0 110.606 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.659 ' C ' ' O ' ' A' ' 25' ' ' GLN . 4.4 mm-40 -14.17 94.69 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.643 -0.661 . . . . 10.0 110.904 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.612 ' HD3' ' OE1' ' A' ' 25' ' ' GLN . 46.3 Cg_endo -70.9 147.32 55.29 Favored 'Trans proline' 0 C--N 1.301 -1.935 0 O-C-N 124.471 1.774 . . . . 10.0 110.856 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.06 -20.29 33.63 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 123.995 1.524 . . . . 10.0 109.989 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 29' ' ' ASP . 4.5 p30 -160.05 116.69 2.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.375 -0.828 . . . . 10.0 109.99 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.705 HD23 HD22 ' B' ' 14' ' ' LEU . 6.3 tp -64.66 -66.24 0.57 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.239 -0.913 . . . . 10.0 110.28 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.62 ' C ' ' O ' ' A' ' 30' ' ' LEU . 10.0 t -25.37 -62.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 CA-C-O 121.572 0.701 . . . . 10.0 110.25 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.93 -53.03 62.67 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.663 -0.648 . . . . 10.0 109.646 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -52.24 -65.69 0.51 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.139 -0.976 . . . . 10.0 108.854 178.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.805 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -43.39 -32.01 0.77 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.464 -0.772 . . . . 10.0 109.99 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.566 HG22 ' OG1' ' B' ' 39' ' ' THR . 2.4 t -83.18 -55.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 O-C-N 121.122 -0.986 . . . . 10.0 110.07 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -36.84 68.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.285 -0.885 . . . . 10.0 110.007 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.486 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 70.4 t80 -72.63 -64.22 1.0 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.186 -0.946 . . . . 10.0 110.459 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CE1' HD23 ' A' ' 14' ' ' LEU . 11.1 m-85 -56.94 -55.69 31.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.238 -0.914 . . . . 10.0 110.442 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.563 ' OG1' HG22 ' B' ' 35' ' ' VAL . 18.8 m -48.02 -53.38 16.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.0 -1.063 . . . . 10.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -63.43 -23.45 67.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.261 -0.899 . . . . 10.0 110.016 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -30.8 62.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.844 . . . . 10.0 110.068 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.494 ' HG2' HG11 ' B' ' 31' ' ' VAL . 0.9 OUTLIER -59.84 -18.07 41.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.265 -0.897 . . . . 10.0 110.138 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.35 -21.35 35.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.271 -0.893 . . . . 10.0 110.242 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.639 ' O ' ' N ' ' A' ' 46' ' ' ARG . . . -47.93 -71.72 0.06 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.147 -0.97 . . . . 10.0 110.671 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.625 ' O ' ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -34.37 85.71 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.138 0.494 . . . . 10.0 111.281 -178.467 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.639 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 117.943 -1.027 . . . . 10.0 109.967 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.159 0.504 . . . . 10.0 110.264 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' MET . . . . . 0.464 ' HG2' ' N ' ' B' ' 3' ' ' GLY . 4.4 ttp -172.9 -65.18 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.173 -0.954 . . . . 10.0 110.055 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLY . . . . . 0.464 ' N ' ' HG2' ' B' ' 2' ' ' MET . . . 43.68 -164.73 0.03 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.539 -1.425 . . . . 10.0 109.539 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.525 ' C ' HD12 ' B' ' 5' ' ' ILE . 14.4 t-80 -107.37 3.78 25.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.358 -1.084 . . . . 10.0 110.138 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.789 HG22 ' O ' ' B' ' 5' ' ' ILE . 1.5 mp -110.52 90.8 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.299 -0.875 . . . . 10.0 110.083 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.429 ' O ' ' CG ' ' B' ' 6' ' ' GLN . 13.1 pt20 -151.66 130.86 12.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.258 -0.901 . . . . 10.0 110.2 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -140.15 133.11 14.96 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.198 -0.939 . . . . 10.0 110.22 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -71.17 142.1 41.05 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 O-C-N 124.029 1.542 . . . . 10.0 110.603 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.22 -177.09 2.76 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 124.028 1.541 . . . . 10.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.16 -43.69 3.15 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.466 -1.454 . . . . 10.0 109.466 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.7 -49.63 65.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.231 -1.158 . . . . 10.0 110.094 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.5 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 1.4 m -53.91 -24.79 17.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 10.0 110.247 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -76.35 -62.14 1.72 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.244 -0.91 . . . . 10.0 110.313 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.705 HD22 HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -47.1 -50.37 20.15 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.216 -0.928 . . . . 10.0 110.352 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.463 ' N ' HD23 ' B' ' 15' ' ' LEU . 5.6 mt -61.23 -51.71 67.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 10.0 110.168 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.609 ' O ' HG23 ' B' ' 20' ' ' VAL . 2.5 mt-30 -42.84 -50.29 5.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.281 -0.887 . . . . 10.0 109.77 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -53.38 -59.86 9.01 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.144 -1.583 . . . . 10.0 109.144 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.81 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.4 OUTLIER -39.93 -58.58 1.37 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.408 -1.054 . . . . 10.0 110.057 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.07 -41.05 47.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.237 -0.914 . . . . 10.0 109.651 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 16' ' ' GLN . 49.1 t -70.41 -27.69 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.392 -0.818 . . . . 10.0 110.171 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' B' ' 17' ' ' GLY . 0.8 OUTLIER -88.45 -67.99 0.8 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.193 -0.942 . . . . 10.0 109.478 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 18' ' ' TYR . 5.9 t -41.41 -25.44 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.637 -0.664 . . . . 10.0 110.15 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' B LEU . . . . . 0.479 ' N ' ' O ' ' B' ' 21' ' ' GLU . 3.3 tp -90.24 -32.76 16.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 10.0 110.369 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -87.55 11.77 14.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.101 -0.999 . . . . 10.0 110.817 -179.571 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.663 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -168.38 44.0 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.072 -1.017 . . . . 10.0 110.641 179.622 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.663 ' C ' ' O ' ' B' ' 25' ' ' GLN . 4.5 mm-40 -14.19 94.78 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.948 0 O-C-N 121.606 -0.684 . . . . 10.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.615 ' HD3' ' OE1' ' B' ' 25' ' ' GLN . 46.0 Cg_endo -70.78 147.45 56.33 Favored 'Trans proline' 0 C--N 1.3 -1.984 0 O-C-N 124.474 1.776 . . . . 10.0 110.916 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.1 -20.12 33.66 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.031 1.543 . . . . 10.0 110.003 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' B' ' 29' ' ' ASP . 4.7 p30 -160.35 116.49 2.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.455 -0.778 . . . . 10.0 110.012 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.748 HD23 HD22 ' A' ' 14' ' ' LEU . 6.4 tp -64.29 -66.29 0.56 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.23 -0.919 . . . . 10.0 110.437 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.617 ' C ' ' O ' ' B' ' 30' ' ' LEU . 10.0 t -25.16 -63.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.521 -0.737 . . . . 10.0 110.253 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -53.17 61.06 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.686 -0.634 . . . . 10.0 109.563 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' B' ' 30' ' ' LEU . 0.8 OUTLIER -52.04 -65.81 0.49 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.2 -0.938 . . . . 10.0 108.86 178.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.81 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -43.21 -31.91 0.67 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 10.0 110.047 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.563 HG22 ' OG1' ' A' ' 39' ' ' THR . 2.4 t -83.39 -55.82 6.69 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 O-C-N 121.164 -0.96 . . . . 10.0 110.063 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -36.21 67.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.281 -0.887 . . . . 10.0 110.077 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.481 ' HB2' ' CE1' ' B' ' 33' ' ' PHE . 70.3 t80 -73.25 -64.0 1.07 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.286 -0.884 . . . . 10.0 110.403 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.445 ' CE1' HD23 ' B' ' 14' ' ' LEU . 11.1 m-85 -57.32 -55.29 36.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 10.0 110.473 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.566 ' OG1' HG22 ' A' ' 35' ' ' VAL . 18.8 m -48.33 -53.07 18.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.986 -1.071 . . . . 10.0 110.038 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -64.05 -23.3 67.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 10.0 110.024 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.9 -29.77 62.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.35 -0.844 . . . . 10.0 110.047 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.5 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -60.89 -18.34 55.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 10.0 110.187 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.88 -21.44 37.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.887 . . . . 10.0 110.211 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.641 ' O ' ' N ' ' B' ' 46' ' ' ARG . . . -47.8 -71.76 0.06 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.167 -0.958 . . . . 10.0 110.631 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.622 ' O ' ' HB2' ' B' ' 46' ' ' ARG . 0.0 OUTLIER -34.44 85.81 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.022 0.439 . . . . 10.0 111.268 -178.473 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.641 ' N ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 118.006 -0.997 . . . . 10.0 109.901 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 22.6 m80 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.27 0.557 . . . . 10.0 110.112 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.5 ttp -148.16 -13.12 0.36 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.21 -0.931 . . . . 10.0 110.728 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.96 156.46 6.95 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.6 -1.4 . . . . 10.0 109.6 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -161.29 82.97 0.63 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.2 -1.176 . . . . 10.0 110.116 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.845 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -119.87 52.27 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.16 -0.963 . . . . 10.0 110.073 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' C ' HG12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -168.4 36.63 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.111 -0.993 . . . . 10.0 110.271 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.454 HG12 ' C ' ' A' ' 6' ' ' GLN . 27.3 mm -153.84 119.14 2.77 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.283 -0.886 . . . . 10.0 110.137 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -71.46 152.1 59.97 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 124.031 1.543 . . . . 10.0 110.734 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.96 -169.12 0.52 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 O-C-N 124.01 1.531 . . . . 10.0 110.453 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.22 -45.01 3.42 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.469 -1.452 . . . . 10.0 109.469 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.655 HD22 ' HG ' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -72.41 -27.44 62.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.215 -1.168 . . . . 10.0 110.022 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 4.7 m -69.19 -25.7 64.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.864 . . . . 10.0 110.281 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -75.72 -43.12 48.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 10.0 110.305 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.28 -45.67 92.24 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.289 -0.882 . . . . 10.0 110.377 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.472 ' HG ' ' HG ' ' B' ' 15' ' ' LEU . 4.9 mp -66.31 -60.53 2.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.868 . . . . 10.0 110.616 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -38.28 -66.16 0.29 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.189 -0.944 . . . . 10.0 110.102 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.535 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.96 -46.54 14.55 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.985 -1.646 . . . . 10.0 108.985 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.764 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -43.87 -62.21 1.19 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.378 -1.072 . . . . 10.0 110.181 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -51.18 -32.42 23.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.374 -0.829 . . . . 10.0 110.103 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 16' ' ' GLN . 16.3 t -74.55 -22.18 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.184 -0.947 . . . . 10.0 110.4 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.7 OUTLIER -91.64 -56.55 3.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.071 -1.018 . . . . 10.0 109.637 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.645 HG22 ' CE2' ' A' ' 33' ' ' PHE . 3.5 t -51.17 -28.8 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.649 -0.657 . . . . 10.0 110.174 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' A LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 19' ' ' THR . 2.7 mt -89.17 -33.91 16.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 10.0 109.924 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 3.3 tpt180 -73.36 -68.8 0.47 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 10.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.508 ' HG3' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -77.64 -26.26 50.33 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.183 -0.948 . . . . 10.0 110.24 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 42.91 74.73 0.72 Allowed Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.178 -0.952 . . . . 10.0 110.155 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.508 ' HD3' ' HG3' ' A' ' 25' ' ' GLN . 44.6 Cg_endo -70.67 170.49 17.54 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 124.116 1.588 . . . . 10.0 110.564 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.66 -49.41 0.58 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 124.046 1.55 . . . . 10.0 110.549 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.41 147.06 44.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.235 -0.916 . . . . 10.0 110.182 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.614 HD13 ' O ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -85.38 -47.59 9.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.293 -0.879 . . . . 10.0 109.901 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.449 HG23 ' H ' ' A' ' 31' ' ' VAL . 12.7 t -43.51 -68.96 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 10.0 109.723 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -49.69 -36.2 24.31 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.518 -0.739 . . . . 10.0 109.909 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.733 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 17.2 t80 -66.72 -43.52 84.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.933 . . . . 10.0 109.591 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.767 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -60.25 -30.88 69.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.425 -0.797 . . . . 10.0 109.821 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.694 HG21 ' HA ' ' B' ' 39' ' ' THR . 24.2 t -83.69 -31.27 8.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 121.332 -0.855 . . . . 10.0 110.274 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.527 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -77.26 -36.11 54.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.291 -0.88 . . . . 10.0 110.427 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.527 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 52.3 t80 -73.39 -58.17 3.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.17 -0.956 . . . . 10.0 110.599 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.718 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 20.9 m-85 -61.34 -52.79 63.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.175 -0.953 . . . . 10.0 110.522 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.668 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 3.8 m -48.63 -53.33 19.01 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.993 -1.067 . . . . 10.0 109.528 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' O ' ' HB3' ' A' ' 43' ' ' GLU . 67.6 ttt180 -57.72 -25.8 60.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.82 . . . . 10.0 109.826 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -61.37 -40.59 94.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 10.0 109.765 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.405 ' NH1' ' CG ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -53.5 -25.15 15.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.335 -0.853 . . . . 10.0 110.273 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.495 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -66.31 -28.44 68.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -0.911 . . . . 10.0 109.895 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' A' ' 45' ' ' ARG . . . -61.41 -69.88 0.22 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -0.855 . . . . 10.0 110.384 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.493 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -40.83 166.24 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 120.274 -0.57 . . . . 10.0 110.527 -178.677 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 45' ' ' ARG . 4.5 ttm180 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 117.932 -1.032 . . . . 10.0 110.187 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 22.5 m80 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.291 0.567 . . . . 10.0 110.27 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 4.4 ttp -148.89 -14.99 0.31 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 10.0 110.641 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 148.46 156.5 7.12 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.595 -1.402 . . . . 10.0 109.595 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -161.08 82.72 0.64 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -1.157 . . . . 10.0 110.13 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.851 ' O ' HG23 ' B' ' 5' ' ' ILE . 0.2 OUTLIER -119.59 51.8 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.274 -0.891 . . . . 10.0 110.168 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.46 ' C ' HG12 ' B' ' 7' ' ' ILE . 0.0 OUTLIER -168.21 36.77 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.154 -0.966 . . . . 10.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.46 HG12 ' C ' ' B' ' 6' ' ' GLN . 27.1 mm -153.69 119.31 2.81 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.264 -0.897 . . . . 10.0 110.19 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.51 152.01 59.58 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 O-C-N 124.007 1.53 . . . . 10.0 110.693 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.92 -169.03 0.51 Allowed 'Trans proline' 0 C--N 1.303 -1.82 0 O-C-N 124.035 1.545 . . . . 10.0 110.461 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.15 -45.1 3.43 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.49 -1.444 . . . . 10.0 109.49 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.501 HD22 ' HG ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -72.27 -27.1 62.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.205 -1.174 . . . . 10.0 110.032 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 4.7 m -69.44 -26.05 64.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.26 -0.9 . . . . 10.0 110.3 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -75.54 -43.5 48.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.913 . . . . 10.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.535 ' CD2' HD12 ' A' ' 30' ' ' LEU . 5.2 mp -61.82 -46.2 90.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.22 -0.925 . . . . 10.0 110.394 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.472 ' HG ' ' HG ' ' A' ' 15' ' ' LEU . 4.9 mp -65.87 -60.48 2.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.272 -0.892 . . . . 10.0 110.571 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -38.12 -66.36 0.27 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.312 -0.868 . . . . 10.0 110.135 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.96 -46.72 14.65 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.977 -1.649 . . . . 10.0 108.977 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.758 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.4 OUTLIER -43.57 -62.08 1.19 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.411 -1.053 . . . . 10.0 110.159 179.704 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -51.38 -32.37 25.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.41 -0.806 . . . . 10.0 110.015 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 16' ' ' GLN . 16.5 t -74.75 -22.29 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.908 . . . . 10.0 110.437 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.7 OUTLIER -91.4 -56.54 3.09 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.197 -0.94 . . . . 10.0 109.688 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.649 HG22 ' CE2' ' B' ' 33' ' ' PHE . 3.4 t -51.14 -29.07 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.594 -0.691 . . . . 10.0 110.175 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' B LEU . . . . . 0.527 ' HB2' ' O ' ' B' ' 19' ' ' THR . 2.8 mt -88.93 -33.69 17.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.102 -0.999 . . . . 10.0 109.926 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 3.4 tpt180 -73.56 -68.52 0.5 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.354 -0.841 . . . . 10.0 110.32 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.506 ' HG3' ' HD3' ' B' ' 27' ' ' PRO . 0.0 OUTLIER -77.85 -26.29 49.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.183 -0.948 . . . . 10.0 110.155 -179.774 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 42.99 74.68 0.74 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.178 -0.951 . . . . 10.0 110.241 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.506 ' HD3' ' HG3' ' B' ' 25' ' ' GLN . 45.0 Cg_endo -70.67 170.2 18.24 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 O-C-N 124.118 1.588 . . . . 10.0 110.522 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.64 -49.18 0.6 Allowed 'Trans proline' 0 C--N 1.304 -1.776 0 O-C-N 124.05 1.552 . . . . 10.0 110.631 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.57 146.79 45.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.253 -0.904 . . . . 10.0 110.188 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.655 ' HG ' HD22 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -85.19 -47.48 10.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.335 -0.853 . . . . 10.0 109.966 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.438 HG23 ' H ' ' B' ' 31' ' ' VAL . 12.4 t -43.6 -69.0 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.204 -0.935 . . . . 10.0 109.743 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -49.71 -36.03 23.97 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.618 -0.676 . . . . 10.0 109.885 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.723 ' CE2' ' CE1' ' B' ' 18' ' ' TYR . 17.2 t80 -66.89 -42.79 84.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 10.0 109.581 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.758 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -61.11 -30.99 70.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.391 -0.818 . . . . 10.0 109.859 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.662 ' O ' ' HB ' ' B' ' 39' ' ' THR . 22.3 t -83.6 -29.9 7.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.381 -0.824 . . . . 10.0 110.249 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.541 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -78.8 -35.61 44.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.321 -0.862 . . . . 10.0 110.461 -179.667 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.541 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 51.1 t80 -74.04 -57.3 4.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.199 -0.938 . . . . 10.0 110.556 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.767 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 21.2 m-85 -62.34 -50.98 69.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.167 -0.958 . . . . 10.0 110.448 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.694 ' HA ' HG21 ' A' ' 35' ' ' VAL . 3.6 m -49.69 -53.17 26.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.929 -1.107 . . . . 10.0 109.494 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.496 ' O ' ' HB3' ' B' ' 43' ' ' GLU . 67.8 ttt180 -58.15 -25.15 61.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.466 -0.771 . . . . 10.0 109.886 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' B' ' 41' ' ' LEU . 0.0 OUTLIER -61.9 -41.24 97.67 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.245 -0.91 . . . . 10.0 109.772 179.688 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -24.98 10.14 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.33 -0.856 . . . . 10.0 110.296 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -66.52 -28.8 68.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.215 -0.928 . . . . 10.0 109.856 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.499 ' O ' ' O ' ' B' ' 45' ' ' ARG . . . -60.97 -70.15 0.2 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.24 -0.913 . . . . 10.0 110.33 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.499 ' O ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -40.86 166.53 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 120.27 -0.572 . . . . 10.0 110.527 -178.764 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' B' ' 45' ' ' ARG . 4.8 ttm180 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 118.027 -0.987 . . . . 10.0 110.251 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.189 0.518 . . . . 10.0 110.319 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.08 -38.58 0.18 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.204 -0.935 . . . . 10.0 110.167 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.443 ' HA3' ' NE2' ' A' ' 6' ' ' GLN . . . -152.76 112.26 0.52 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.503 -1.439 . . . . 10.0 109.503 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.79 -23.4 3.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -1.136 . . . . 10.0 110.417 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.6 OUTLIER -115.76 47.42 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.11 -0.994 . . . . 10.0 110.368 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.443 ' NE2' ' HA3' ' A' ' 3' ' ' GLY . 6.8 pt20 -128.54 -155.98 0.73 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.186 -0.946 . . . . 10.0 109.943 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.802 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -41.44 150.21 0.34 Allowed Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.062 -1.024 . . . . 10.0 110.505 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.53 ' HG2' ' CB ' ' A' ' 11' ' ' LEU . 49.0 Cg_endo -74.65 156.53 44.56 Favored 'Trans proline' 0 C--N 1.299 -2.074 0 O-C-N 124.091 1.574 . . . . 10.0 110.927 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -74.28 143.45 31.68 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 O-C-N 124.108 1.583 . . . . 10.0 110.466 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.04 -28.74 5.41 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.497 -1.441 . . . . 10.0 109.497 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.577 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 2.6 tm? -75.27 -40.09 59.13 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.287 -1.126 . . . . 10.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.628 HG22 ' N ' ' A' ' 13' ' ' GLU . 2.4 m -54.43 -78.0 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.304 -0.873 . . . . 10.0 110.588 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.628 ' N ' HG22 ' A' ' 12' ' ' THR . 1.5 mm-40 -34.4 -55.85 0.52 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.586 -0.696 . . . . 10.0 110.642 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -36.77 74.75 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.17 -0.956 . . . . 10.0 110.18 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.644 HD21 HD21 ' B' ' 15' ' ' LEU . 0.2 OUTLIER -69.48 -70.87 0.25 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.172 -0.955 . . . . 10.0 110.286 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.867 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.9 mt-30 -41.09 -32.91 0.28 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.373 -0.829 . . . . 10.0 110.149 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -65.41 -53.49 32.07 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.191 -1.563 . . . . 10.0 109.191 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.788 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -69.3 -34.94 75.46 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.316 -1.108 . . . . 10.0 109.343 179.378 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -64.81 -39.96 94.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.341 -0.849 . . . . 10.0 109.668 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 16' ' ' GLN . 66.9 t -64.13 -29.13 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.311 -0.868 . . . . 10.0 109.698 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.73 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -71.28 -34.38 70.62 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.249 -0.907 . . . . 10.0 109.029 179.418 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.6 t -73.04 -55.92 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.703 -0.623 . . . . 10.0 109.816 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' A LEU . . . . . 0.487 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -55.85 -19.02 10.15 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.108 -0.995 . . . . 10.0 109.643 179.485 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -49.14 6.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.426 -0.796 . . . . 10.0 110.143 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' GLN . 14.5 mm-40 -89.57 -21.24 22.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 10.0 110.465 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.8 OUTLIER 43.41 64.15 7.0 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.141 -0.974 . . . . 10.0 110.093 -179.83 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.605 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -69.97 151.1 67.74 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.083 1.57 . . . . 10.0 110.707 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.73 -23.4 31.0 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 123.996 1.524 . . . . 10.0 110.219 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -134.26 125.06 26.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.371 -0.831 . . . . 10.0 110.059 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.015 ' CD1' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -80.7 -66.26 0.91 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.228 -0.92 . . . . 10.0 110.402 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.618 ' C ' ' O ' ' A' ' 30' ' ' LEU . 6.9 t -21.49 -56.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-O 121.598 0.714 . . . . 10.0 110.577 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.8 t0 -66.51 -50.72 62.28 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.591 -0.693 . . . . 10.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.605 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 17.3 t80 -58.54 -51.98 67.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.046 -1.034 . . . . 10.0 109.765 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.015 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . . . -56.2 -28.66 59.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.355 -0.84 . . . . 10.0 109.822 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.65 HG23 ' HB3' ' B' ' 38' ' ' PHE . 2.4 t -87.33 -51.72 12.46 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 O-C-N 121.28 -0.888 . . . . 10.0 110.068 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -48.35 -38.61 19.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.107 -0.996 . . . . 10.0 110.228 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.536 ' CD2' ' OE1' ' A' ' 21' ' ' GLU . 5.6 t80 -74.89 -62.5 1.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.159 -0.963 . . . . 10.0 110.325 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.625 ' HB3' HG23 ' B' ' 35' ' ' VAL . 12.0 m-85 -61.44 -48.72 79.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.296 -0.877 . . . . 10.0 110.391 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.612 ' HA ' HG21 ' B' ' 35' ' ' VAL . 44.6 m -52.45 -44.42 65.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.098 -1.001 . . . . 10.0 109.699 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -63.19 -27.12 69.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.322 -0.861 . . . . 10.0 109.8 179.602 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HA ' HD12 ' A' ' 41' ' ' LEU . 12.9 tp -68.93 -35.83 77.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.386 -0.821 . . . . 10.0 109.982 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.424 ' HD3' ' CG ' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -52.38 -32.89 40.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.26 -0.9 . . . . 10.0 109.993 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -78.58 -36.93 43.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.379 -0.825 . . . . 10.0 109.97 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.488 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -42.73 -70.93 0.09 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.368 -0.833 . . . . 10.0 110.346 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.589 ' NH1' HG11 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -34.21 145.78 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.404 0 CA-C-O 121.282 0.563 . . . . 10.0 110.596 -178.791 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.029 -0.986 . . . . 10.0 110.209 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.181 0.515 . . . . 10.0 110.33 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.04 -38.37 0.18 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.214 -0.929 . . . . 10.0 110.195 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLY . . . . . 0.438 ' HA3' ' NE2' ' B' ' 6' ' ' GLN . . . -152.93 111.95 0.51 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.431 -1.468 . . . . 10.0 109.431 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.35 -23.3 3.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.161 -1.199 . . . . 10.0 110.444 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.655 ' O ' HG23 ' B' ' 5' ' ' ILE . 0.6 OUTLIER -115.91 47.4 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.224 -0.923 . . . . 10.0 110.347 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.438 ' NE2' ' HA3' ' B' ' 3' ' ' GLY . 6.8 pt20 -128.53 -155.97 0.73 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.238 -0.914 . . . . 10.0 109.99 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.802 HD13 ' O ' ' B' ' 7' ' ' ILE . 0.0 OUTLIER -41.3 150.06 0.34 Allowed Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 121.124 -0.985 . . . . 10.0 110.491 -179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.531 ' HG2' ' CB ' ' B' ' 11' ' ' LEU . 47.8 Cg_endo -74.62 156.41 44.74 Favored 'Trans proline' 0 C--N 1.3 -2.025 0 O-C-N 124.026 1.54 . . . . 10.0 110.9 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -74.23 143.42 31.84 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 O-C-N 124.109 1.584 . . . . 10.0 110.314 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.04 -28.53 5.51 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.585 -1.406 . . . . 10.0 109.585 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' B' ' 15' ' ' LEU . 2.6 tm? -75.52 -39.83 57.89 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.195 -1.179 . . . . 10.0 110.091 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.606 HG22 ' N ' ' B' ' 13' ' ' GLU . 2.7 m -54.63 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.366 -0.834 . . . . 10.0 110.607 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.606 ' N ' HG22 ' B' ' 12' ' ' THR . 1.5 mm-40 -34.4 -55.78 0.52 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.516 -0.74 . . . . 10.0 110.604 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -36.52 74.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.11 -0.994 . . . . 10.0 110.184 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.644 HD21 HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.69 -70.91 0.26 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.21 -0.931 . . . . 10.0 110.222 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.867 ' O ' HG23 ' B' ' 20' ' ' VAL . 1.6 mt-30 -41.01 -32.68 0.25 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.257 -0.902 . . . . 10.0 110.108 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -65.85 -53.5 30.44 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.093 -1.603 . . . . 10.0 109.093 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.79 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.0 OUTLIER -69.28 -34.65 75.06 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.243 -1.151 . . . . 10.0 109.375 179.427 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -65.08 -40.05 94.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.278 -0.889 . . . . 10.0 109.755 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 16' ' ' GLN . 65.5 t -64.08 -28.83 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.389 -0.819 . . . . 10.0 109.662 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.727 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.8 OUTLIER -71.68 -33.9 69.22 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.22 -0.925 . . . . 10.0 109.085 179.427 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.79 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.6 t -73.37 -56.05 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.7 -0.625 . . . . 10.0 109.905 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' B LEU . . . . . 0.495 ' O ' ' NE2' ' B' ' 26' ' ' GLN . 0.5 OUTLIER -55.62 -19.53 10.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 10.0 109.594 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -49.51 6.74 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.393 -0.817 . . . . 10.0 110.239 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' B' ' 26' ' ' GLN . 14.9 mm-40 -89.08 -21.78 23.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.226 -0.921 . . . . 10.0 110.463 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' B' ' 22' ' ' VAL . 0.7 OUTLIER 44.11 63.92 7.76 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.242 -0.911 . . . . 10.0 110.06 -179.823 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.604 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 44.6 Cg_endo -69.91 150.91 67.94 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 O-C-N 124.075 1.566 . . . . 10.0 110.671 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.88 -23.39 30.32 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 123.994 1.523 . . . . 10.0 110.142 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -133.9 124.68 26.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.353 -0.842 . . . . 10.0 110.016 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 1.02 ' CD1' ' HB2' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -80.42 -66.35 0.89 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 10.0 110.416 -179.826 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.615 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.5 t -21.51 -57.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 CA-C-O 121.623 0.725 . . . . 10.0 110.694 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' B' ' 30' ' ' LEU . 5.3 t0 -66.18 -50.85 62.46 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.571 -0.706 . . . . 10.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.604 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 17.5 t80 -58.41 -52.15 66.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.096 -1.002 . . . . 10.0 109.831 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 1.02 ' HB2' ' CD1' ' B' ' 30' ' ' LEU . . . -56.08 -28.78 59.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 10.0 109.889 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.625 HG23 ' HB3' ' A' ' 38' ' ' PHE . 2.4 t -87.28 -51.69 12.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 O-C-N 121.312 -0.867 . . . . 10.0 110.085 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -48.22 -38.88 19.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.113 -0.992 . . . . 10.0 110.194 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.536 ' CD2' ' OE1' ' B' ' 21' ' ' GLU . 5.6 t80 -74.87 -61.96 1.71 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 10.0 110.318 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.65 ' HB3' HG23 ' A' ' 35' ' ' VAL . 11.8 m-85 -61.86 -48.58 79.88 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.922 . . . . 10.0 110.362 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.586 ' HA ' HG21 ' A' ' 35' ' ' VAL . 38.9 m -52.76 -44.16 66.3 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.986 -1.071 . . . . 10.0 109.641 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.5 OUTLIER -63.44 -26.73 68.86 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 10.0 109.75 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.468 ' HA ' HD12 ' B' ' 41' ' ' LEU . 13.2 tp -69.41 -35.7 76.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.346 -0.846 . . . . 10.0 109.977 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.418 ' HD3' ' CG ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -52.49 -32.28 39.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.867 . . . . 10.0 110.059 179.761 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -78.99 -37.11 40.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.918 . . . . 10.0 110.018 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.507 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -42.71 -70.78 0.1 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.419 -0.801 . . . . 10.0 110.378 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.583 ' NH1' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -34.32 146.18 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.251 0.548 . . . . 10.0 110.687 -178.731 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' B' ' 45' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.008 -0.996 . . . . 10.0 110.156 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.575 ' O ' ' CD2' ' A' ' 1' ' ' HIS . 74.3 t60 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.171 0.51 . . . . 10.0 110.306 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' ' 1' ' ' HIS . 17.2 mtp -142.62 -88.75 0.14 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.241 -0.912 . . . . 10.0 110.227 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.416 ' O ' ' ND1' ' A' ' 4' ' ' HIS . . . -108.88 155.51 16.07 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.556 -1.418 . . . . 10.0 109.556 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.416 ' ND1' ' O ' ' A' ' 3' ' ' GLY . 47.4 m-70 -144.81 155.83 43.71 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.256 -1.144 . . . . 10.0 110.256 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 5' ' ' ILE . 1.4 tp -118.9 48.25 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.236 -0.915 . . . . 10.0 110.188 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.48 170.26 16.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.224 -0.923 . . . . 10.0 110.193 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.76 138.62 28.79 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.338 -0.851 . . . . 10.0 110.089 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.693 ' HB2' ' HB2' ' A' ' 11' ' ' LEU . 46.4 Cg_endo -69.31 162.83 40.27 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 O-C-N 124.019 1.536 . . . . 10.0 110.602 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.557 ' O ' ' N ' ' A' ' 11' ' ' LEU . 52.6 Cg_endo -80.76 129.25 7.09 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 O-C-N 123.961 1.506 . . . . 10.0 111.98 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' PRO . . . 40.69 20.57 0.03 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 110.327 -1.109 . . . . 10.0 110.327 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.702 ' CD2' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -85.85 -21.2 28.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.056 -1.261 . . . . 10.0 110.068 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.649 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 7.3 m -62.21 -26.19 68.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 10.0 110.2 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -84.55 -54.61 4.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.286 -0.884 . . . . 10.0 110.504 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.666 HD12 HD13 ' B' ' 30' ' ' LEU . 76.5 mt -60.85 -48.29 82.49 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.244 -0.91 . . . . 10.0 110.415 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.702 HD13 ' CD2' ' A' ' 11' ' ' LEU . 3.5 tp -61.43 -55.9 26.17 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.124 -0.985 . . . . 10.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.649 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -41.51 -42.67 2.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.018 -1.051 . . . . 10.0 109.341 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.553 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -52.28 -65.58 3.18 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.787 -1.725 . . . . 10.0 108.787 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.861 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -38.37 -58.89 0.95 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.431 -1.04 . . . . 10.0 110.014 179.476 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.539 ' O ' ' HB2' ' A' ' 23' A LEU . 1.8 m -51.04 -34.51 29.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.357 -0.84 . . . . 10.0 109.923 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' GLY . 38.2 t -82.7 -25.11 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 10.0 110.481 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -87.18 -48.57 7.94 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.097 -1.002 . . . . 10.0 109.457 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 18' ' ' TYR . 3.2 t -59.93 -36.71 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.529 -0.732 . . . . 10.0 110.081 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' A LEU . . . . . 0.539 ' HB2' ' O ' ' A' ' 19' ' ' THR . 3.3 mp -74.93 -35.51 62.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.118 -0.988 . . . . 10.0 109.82 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -69.15 -9.18 51.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.276 -0.89 . . . . 10.0 109.949 179.711 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.632 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.1 pt20 -159.9 37.75 0.18 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.387 -0.821 . . . . 10.0 109.913 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.632 ' C ' ' O ' ' A' ' 25' ' ' GLN . 2.7 mt-30 -15.92 86.6 0.03 OUTLIER Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 121.782 -0.574 . . . . 10.0 111.111 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.56 ' N ' ' O ' ' A' ' 25' ' ' GLN . 43.5 Cg_endo -69.55 162.47 41.83 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 O-C-N 124.098 1.578 . . . . 10.0 110.611 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.27 -40.23 6.37 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 O-C-N 124.074 1.565 . . . . 10.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -136.63 131.74 34.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.165 -0.959 . . . . 10.0 110.316 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.731 HD13 HD12 ' B' ' 14' ' ' LEU . 0.9 OUTLIER -78.36 -50.1 12.37 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.196 -0.94 . . . . 10.0 110.173 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.581 ' C ' ' O ' ' A' ' 30' ' ' LEU . 5.9 t -27.43 -62.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.544 -0.723 . . . . 10.0 110.513 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.468 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -63.23 -51.79 64.79 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.475 -0.766 . . . . 10.0 110.011 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 83.0 t80 -55.71 -50.21 70.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.148 -0.97 . . . . 10.0 109.703 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.814 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -53.93 -28.79 39.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.296 -0.877 . . . . 10.0 109.699 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.722 HG23 ' HB3' ' B' ' 38' ' ' PHE . 5.7 t -83.19 -56.52 5.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.402 -0.811 . . . . 10.0 109.848 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.538 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -52.35 -38.19 58.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.403 -0.811 . . . . 10.0 110.385 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.538 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 31.5 t80 -73.09 -55.75 6.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.189 -0.944 . . . . 10.0 110.617 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.722 ' HB3' HG23 ' B' ' 35' ' ' VAL . 10.4 m-85 -67.39 -56.12 10.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.148 -0.97 . . . . 10.0 110.617 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 5.5 m -44.99 -40.81 6.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.967 -1.083 . . . . 10.0 109.894 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -72.09 -37.08 69.65 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.28 -0.887 . . . . 10.0 109.986 179.71 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.488 ' HB3' HG13 ' B' ' 31' ' ' VAL . 2.3 tp -49.25 -52.09 29.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.176 -0.952 . . . . 10.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.554 ' HG2' ' CG1' ' B' ' 31' ' ' VAL . 3.4 mmm-85 -53.63 -33.06 53.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.11 -0.994 . . . . 10.0 110.189 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -94.23 -26.74 16.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.242 -0.912 . . . . 10.0 110.047 -179.81 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -76.26 -69.83 0.48 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.305 -0.872 . . . . 10.0 110.649 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.63 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -17.15 118.89 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.324 0.583 . . . . 10.0 111.272 -178.8 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 118.03 -0.986 . . . . 10.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.57 ' O ' ' CD2' ' B' ' 1' ' ' HIS . 73.2 t60 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.179 0.514 . . . . 10.0 110.313 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' B' ' 1' ' ' HIS . 15.6 mtp -142.49 -89.42 0.14 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -0.911 . . . . 10.0 110.202 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLY . . . . . 0.421 ' O ' ' ND1' ' B' ' 4' ' ' HIS . . . -108.59 155.56 16.09 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.518 -1.433 . . . . 10.0 109.518 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' B' ' 3' ' ' GLY . 47.0 m-70 -144.85 155.78 43.66 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.231 -1.158 . . . . 10.0 110.176 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.631 ' O ' HG23 ' B' ' 5' ' ' ILE . 1.4 tp -118.73 48.9 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 10.0 110.202 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.93 169.41 18.13 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.287 -0.883 . . . . 10.0 110.291 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.82 138.73 28.02 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.242 -0.912 . . . . 10.0 110.105 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.702 ' HB2' ' HB2' ' B' ' 11' ' ' LEU . 46.3 Cg_endo -69.29 162.86 40.12 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 O-C-N 124.048 1.552 . . . . 10.0 110.686 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.56 ' O ' ' N ' ' B' ' 11' ' ' LEU . 51.9 Cg_endo -80.68 128.93 7.02 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 124.05 1.553 . . . . 10.0 111.944 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' B' ' 9' ' ' PRO . . . 40.82 20.44 0.03 OUTLIER Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.313 -1.115 . . . . 10.0 110.313 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.702 ' HB2' ' HB2' ' B' ' 8' ' ' PRO . 0.4 OUTLIER -85.6 -20.79 28.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.071 -1.253 . . . . 10.0 110.069 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.65 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 7.0 m -62.47 -26.35 68.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -0.86 . . . . 10.0 110.155 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -84.43 -54.37 4.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.249 -0.907 . . . . 10.0 110.569 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.731 HD12 HD13 ' A' ' 30' ' ' LEU . 78.7 mt -61.13 -48.3 82.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.904 . . . . 10.0 110.463 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.698 HD13 ' CD2' ' B' ' 11' ' ' LEU . 3.6 tp -61.46 -55.9 26.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.122 -0.986 . . . . 10.0 110.282 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.65 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.9 OUTLIER -41.51 -42.55 2.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.139 -0.975 . . . . 10.0 109.37 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.576 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -52.46 -64.99 3.58 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 108.764 -1.734 . . . . 10.0 108.764 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.856 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.8 OUTLIER -38.98 -58.73 1.07 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -1.102 . . . . 10.0 109.892 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' B' ' 23' B LEU . 1.8 m -51.05 -34.83 31.54 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 10.0 109.983 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 39.0 t -82.07 -25.03 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.232 -0.918 . . . . 10.0 110.448 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' B' ' 17' ' ' GLY . 0.8 OUTLIER -87.45 -48.75 7.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.017 . . . . 10.0 109.547 179.779 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.856 HG23 ' O ' ' B' ' 18' ' ' TYR . 3.3 t -59.63 -36.66 66.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.549 -0.72 . . . . 10.0 110.093 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' B LEU . . . . . 0.54 ' HB2' ' O ' ' B' ' 19' ' ' THR . 3.3 mp -75.11 -35.67 61.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 10.0 109.767 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -68.95 -9.02 49.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 10.0 109.989 179.754 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.629 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.0 pt20 -160.12 37.75 0.18 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.397 -0.814 . . . . 10.0 109.93 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.629 ' C ' ' O ' ' B' ' 25' ' ' GLN . 2.6 mt-30 -15.99 86.66 0.03 OUTLIER Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.836 -0.54 . . . . 10.0 111.118 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.562 ' N ' ' O ' ' B' ' 25' ' ' GLN . 43.5 Cg_endo -69.54 162.59 41.37 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.083 1.57 . . . . 10.0 110.603 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.53 -40.56 5.52 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.086 1.571 . . . . 10.0 110.608 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -136.19 131.58 34.79 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.221 -0.925 . . . . 10.0 110.293 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.678 HD22 ' HG ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -78.17 -49.92 12.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.289 -0.882 . . . . 10.0 110.23 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.577 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.0 t -27.63 -62.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.582 -0.699 . . . . 10.0 110.539 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.467 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -63.02 -51.56 66.31 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.562 -0.711 . . . . 10.0 110.079 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.577 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 82.7 t80 -56.07 -49.96 72.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.155 -0.966 . . . . 10.0 109.729 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.823 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -54.14 -29.01 43.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 10.0 109.635 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.722 HG23 ' HB3' ' A' ' 38' ' ' PHE . 5.6 t -82.88 -56.16 6.29 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.394 -0.816 . . . . 10.0 109.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -52.98 -38.08 61.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 10.0 110.366 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.539 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 31.3 t80 -73.07 -55.65 6.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.138 -0.976 . . . . 10.0 110.599 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.722 ' HB3' HG23 ' A' ' 35' ' ' VAL . 10.3 m-85 -67.5 -56.17 10.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 10.0 110.556 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 5.8 m -44.69 -41.15 6.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.088 -1.008 . . . . 10.0 109.998 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' B' ' 44' ' ' ALA . 0.1 OUTLIER -71.89 -36.95 70.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.937 . . . . 10.0 109.986 179.75 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.538 ' HB3' HG13 ' A' ' 31' ' ' VAL . 2.2 tp -49.35 -52.03 30.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 10.0 110.284 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.55 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 3.2 mmm-85 -53.87 -33.22 55.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.192 -0.943 . . . . 10.0 110.181 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.459 ' O ' ' OE1' ' B' ' 43' ' ' GLU . 0.1 OUTLIER -94.16 -25.99 16.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 10.0 110.089 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.633 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -77.04 -69.99 0.49 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.181 -0.949 . . . . 10.0 110.467 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.633 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.1 OUTLIER -16.86 118.88 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.249 0.547 . . . . 10.0 111.236 -178.669 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.001 -0.999 . . . . 10.0 110.165 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.445 ' O ' ' O ' ' A' ' 2' ' ' MET . 2.4 t60 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.242 0.544 . . . . 10.0 110.219 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.445 ' O ' ' O ' ' A' ' 1' ' ' HIS . 24.7 mmt -46.76 173.98 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.183 -0.948 . . . . 10.0 110.199 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.41 171.69 25.7 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.624 -1.39 . . . . 10.0 109.624 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.577 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -165.04 101.72 0.76 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.226 -1.161 . . . . 10.0 110.19 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.08 HG22 HD11 ' A' ' 7' ' ' ILE . 2.3 mm -115.6 165.23 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.192 -0.942 . . . . 10.0 110.047 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.907 ' C ' HD13 ' A' ' 7' ' ' ILE . 2.5 mm-40 -118.73 84.07 2.13 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.181 -0.949 . . . . 10.0 110.789 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.08 HD11 HG22 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -142.42 165.02 29.57 Favored Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.203 -0.936 . . . . 10.0 109.712 179.404 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.881 ' HD2' HG22 ' A' ' 7' ' ' ILE . 43.8 Cg_endo -70.07 137.94 35.71 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 123.83 1.437 . . . . 10.0 110.511 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.74 160.62 47.53 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 O-C-N 123.969 1.51 . . . . 10.0 110.417 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.1 -32.38 4.93 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.343 -1.503 . . . . 10.0 109.343 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.442 HD23 HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -82.04 -34.17 29.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.334 -1.098 . . . . 10.0 110.171 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 13' ' ' GLU . 59.8 m -52.98 -73.18 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 10.0 110.278 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.3 tt0 -37.13 -42.54 0.44 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.559 -0.713 . . . . 10.0 110.252 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.537 HD23 ' CE1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -67.08 -60.58 2.5 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.201 -0.937 . . . . 10.0 110.107 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 16' ' ' GLN . 1.6 mp -67.73 -60.48 2.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 10.0 110.226 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -39.05 -44.43 1.12 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.874 . . . . 10.0 109.685 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.531 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -55.57 -63.62 5.12 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 108.627 -1.789 . . . . 10.0 108.627 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.832 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -43.82 -57.91 3.01 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.326 -1.102 . . . . 10.0 109.963 179.262 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.838 ' O ' HD12 ' A' ' 23' A LEU . 0.2 OUTLIER -45.23 -31.68 1.61 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.409 -0.807 . . . . 10.0 110.317 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 73.8 t -86.71 -24.84 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 10.0 110.432 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.588 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -89.12 -37.18 15.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.149 -0.969 . . . . 10.0 109.757 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 18' ' ' TYR . 2.4 t -75.17 -42.79 44.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.514 -0.741 . . . . 10.0 110.304 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' A LEU . . . . . 0.838 HD12 ' O ' ' A' ' 19' ' ' THR . 8.2 mt -76.61 -31.69 57.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.147 -0.971 . . . . 10.0 110.129 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -80.73 1.75 28.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.181 -0.95 . . . . 10.0 110.435 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.692 ' O ' ' C ' ' A' ' 26' ' ' GLN . 3.5 pt20 -165.58 23.79 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.119 -0.988 . . . . 10.0 110.542 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.692 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 2.82 78.62 0.04 OUTLIER Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 121.713 -0.617 . . . . 10.0 110.982 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.54 ' CD ' ' HA ' ' A' ' 22' ' ' VAL . 43.5 Cg_endo -70.05 126.28 12.95 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 O-C-N 124.125 1.592 . . . . 10.0 110.771 -179.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.71 -5.18 15.56 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 124.009 1.531 . . . . 10.0 110.2 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.546 ' O ' ' C ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -114.32 27.82 9.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.422 -0.799 . . . . 10.0 109.906 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.546 ' C ' ' O ' ' A' ' 29' ' ' ASP . 13.9 tp -29.64 -68.79 0.07 Allowed 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.468 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.507 ' C ' ' O ' ' A' ' 30' ' ' LEU . 20.6 t -38.57 -61.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.275 -0.891 . . . . 10.0 109.346 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -59.76 -50.48 73.65 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.732 -0.605 . . . . 10.0 109.389 179.24 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -50.93 -52.04 46.19 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.28 -0.888 . . . . 10.0 109.307 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.759 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -53.05 -27.96 22.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.447 -0.783 . . . . 10.0 109.866 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.607 HG21 ' CA ' ' B' ' 39' ' ' THR . 4.4 t -85.94 -54.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.361 -0.837 . . . . 10.0 109.804 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.713 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 4.6 mm-40 -49.31 -34.65 16.11 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 10.0 110.017 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -77.54 -52.56 8.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.231 -0.918 . . . . 10.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.537 ' CE1' HD23 ' A' ' 14' ' ' LEU . 12.0 m-85 -72.36 -55.54 6.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.257 -0.902 . . . . 10.0 110.306 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.586 ' CA ' HG21 ' B' ' 35' ' ' VAL . 11.7 m -47.6 -49.81 25.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.173 -0.954 . . . . 10.0 110.072 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.713 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -65.81 -33.94 77.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.008 -1.057 . . . . 10.0 109.595 179.436 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.437 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -44.64 -56.28 4.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.347 -0.845 . . . . 10.0 110.302 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HD2' ' CG1' ' B' ' 31' ' ' VAL . 0.0 OUTLIER -50.48 -33.45 21.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.194 -0.941 . . . . 10.0 110.381 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -109.63 1.83 19.86 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.198 -0.939 . . . . 10.0 110.453 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.656 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . -46.31 -81.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.161 -0.962 . . . . 10.0 110.183 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.649 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER 8.18 -121.58 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.274 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 120.898 -1.126 . . . . 10.0 110.21 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.451 ' O ' ' O ' ' B' ' 2' ' ' MET . 2.4 t60 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.242 0.544 . . . . 10.0 110.239 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' MET . . . . . 0.451 ' O ' ' O ' ' B' ' 1' ' ' HIS . 24.4 mmt -46.59 173.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.225 -0.922 . . . . 10.0 110.155 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.24 171.28 25.74 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.547 -1.421 . . . . 10.0 109.547 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.591 ' C ' HD13 ' B' ' 5' ' ' ILE . 0.6 OUTLIER -164.76 101.91 0.79 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.183 -1.186 . . . . 10.0 110.162 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 1.077 HG22 HD11 ' B' ' 7' ' ' ILE . 2.3 mm -115.88 165.3 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.214 -0.929 . . . . 10.0 110.114 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.911 ' C ' HD13 ' B' ' 7' ' ' ILE . 2.5 mm-40 -118.9 84.06 2.13 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.143 -0.973 . . . . 10.0 110.793 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 1.077 HD11 HG22 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -142.39 165.13 28.94 Favored Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.163 -0.961 . . . . 10.0 109.851 179.379 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.874 ' HD2' HG22 ' B' ' 7' ' ' ILE . 44.9 Cg_endo -70.16 137.92 35.38 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 O-C-N 123.906 1.477 . . . . 10.0 110.539 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.65 160.39 48.33 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 O-C-N 124.008 1.53 . . . . 10.0 110.451 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.14 -32.4 4.93 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.381 -1.488 . . . . 10.0 109.381 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.442 HD23 HD22 ' B' ' 15' ' ' LEU . 0.1 OUTLIER -82.0 -32.85 30.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -1.134 . . . . 10.0 110.223 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.484 ' O ' ' C ' ' B' ' 13' ' ' GLU . 60.0 m -54.09 -73.6 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.9 . . . . 10.0 110.384 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.4 tt0 -37.01 -42.82 0.43 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.498 -0.751 . . . . 10.0 110.322 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.542 HD23 ' CE1' ' B' ' 38' ' ' PHE . 0.0 OUTLIER -66.27 -60.76 2.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.383 -0.823 . . . . 10.0 110.108 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' B' ' 16' ' ' GLN . 1.5 mp -67.71 -60.62 2.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -0.896 . . . . 10.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' B' ' 15' ' ' LEU . 0.9 OUTLIER -38.97 -44.43 1.08 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.327 -0.858 . . . . 10.0 109.738 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -55.53 -63.6 5.14 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 108.617 -1.793 . . . . 10.0 108.617 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.839 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.9 OUTLIER -43.82 -58.0 2.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.406 -1.055 . . . . 10.0 109.933 179.354 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.819 ' O ' HD12 ' B' ' 23' B LEU . 0.2 OUTLIER -45.18 -31.71 1.57 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.38 -0.825 . . . . 10.0 110.39 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' B' ' 24' ' ' ARG . 65.7 t -86.85 -24.48 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.911 . . . . 10.0 110.416 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.581 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -89.25 -36.87 15.36 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.139 -0.975 . . . . 10.0 109.823 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.839 HG23 ' O ' ' B' ' 18' ' ' TYR . 2.3 t -75.42 -42.78 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.477 -0.765 . . . . 10.0 110.32 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' B LEU . . . . . 0.819 HD12 ' O ' ' B' ' 19' ' ' THR . 9.2 mt -76.61 -31.68 57.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.125 -0.985 . . . . 10.0 110.173 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -80.8 1.56 30.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.233 -0.917 . . . . 10.0 110.486 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' B' ' 26' ' ' GLN . 3.4 pt20 -165.48 24.0 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.106 -0.996 . . . . 10.0 110.408 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 2.69 78.65 0.04 OUTLIER Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.682 -0.636 . . . . 10.0 111.02 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.547 ' CD ' ' HA ' ' B' ' 22' ' ' VAL . 43.9 Cg_endo -70.03 125.97 12.6 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.057 1.556 . . . . 10.0 110.866 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.37 -5.49 16.1 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 123.955 1.503 . . . . 10.0 110.19 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.547 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -114.18 27.68 9.31 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.342 -0.849 . . . . 10.0 109.881 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' B' ' 29' ' ' ASP . 14.0 tp -29.65 -68.42 0.07 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.465 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.504 ' C ' ' O ' ' B' ' 30' ' ' LEU . 21.2 t -38.83 -61.12 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.215 -0.928 . . . . 10.0 109.301 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 0.6 OUTLIER -59.84 -50.51 73.5 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.286 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -50.65 -52.11 42.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.318 -0.864 . . . . 10.0 109.381 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.758 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -52.91 -28.37 23.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.409 -0.807 . . . . 10.0 109.885 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.586 HG21 ' CA ' ' A' ' 39' ' ' THR . 4.0 t -85.62 -54.48 8.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.474 -0.766 . . . . 10.0 109.71 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.702 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 4.5 mm-40 -49.88 -35.17 22.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 10.0 109.967 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -77.02 -52.07 9.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.104 -0.997 . . . . 10.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.542 ' CE1' HD23 ' B' ' 14' ' ' LEU . 12.4 m-85 -72.92 -55.75 6.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.227 -0.921 . . . . 10.0 110.318 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.607 ' CA ' HG21 ' A' ' 35' ' ' VAL . 15.1 m -47.1 -50.11 20.59 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.107 -0.996 . . . . 10.0 110.112 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.702 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.1 OUTLIER -65.53 -35.03 79.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.928 -1.108 . . . . 10.0 109.531 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.443 ' HA ' ' HB2' ' B' ' 44' ' ' ALA . 0.1 OUTLIER -43.41 -56.5 3.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 10.0 110.331 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.497 ' NE ' ' HB2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -50.43 -33.14 19.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.227 -0.921 . . . . 10.0 110.357 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -109.95 1.7 19.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.199 -0.938 . . . . 10.0 110.412 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' B' ' 40' ' ' ARG . . . -46.31 -80.9 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.172 -0.955 . . . . 10.0 110.243 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.646 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER 8.05 -121.34 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.31 -179.373 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 120.92 -1.112 . . . . 10.0 110.151 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 62.9 m170 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.277 0.56 . . . . 10.0 110.332 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.0 mmt -45.31 -40.53 7.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 10.0 110.183 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.32 -151.1 46.36 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.632 -1.387 . . . . 10.0 109.632 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.55 168.54 18.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.342 -1.093 . . . . 10.0 110.257 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 mp -121.21 132.26 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.271 -0.893 . . . . 10.0 110.13 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -151.15 92.92 1.85 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.207 -0.933 . . . . 10.0 110.203 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.0 114.49 12.63 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.225 -0.922 . . . . 10.0 110.128 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -71.29 127.07 12.94 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 O-C-N 123.975 1.513 . . . . 10.0 110.721 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.79 -168.71 0.48 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 123.893 1.47 . . . . 10.0 110.4 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.85 -45.06 3.35 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.496 -1.442 . . . . 10.0 109.496 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 17.2 tp -60.39 -24.32 65.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -1.168 . . . . 10.0 110.134 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 20.2 m -39.82 -72.03 0.07 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.91 . . . . 10.0 110.101 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.8 mm-40 -34.25 -48.32 0.33 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.536 -0.727 . . . . 10.0 110.595 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 1.2 mp -60.62 -77.98 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.242 -0.911 . . . . 10.0 110.098 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.6 mp -44.01 -51.16 7.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 10.0 109.934 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.54 ' HB2' ' O ' ' A' ' 12' ' ' THR . 1.4 tt0 -48.03 -48.29 33.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.18 -0.95 . . . . 10.0 109.565 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.532 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -48.51 -54.6 12.79 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.925 -1.67 . . . . 10.0 108.925 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.906 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -40.58 -57.0 1.96 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.438 -1.036 . . . . 10.0 109.864 179.553 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.53 ' O ' ' HB2' ' A' ' 23' A LEU . 0.7 OUTLIER -48.48 -50.06 33.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.334 -0.854 . . . . 10.0 109.665 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.509 ' N ' HG22 ' A' ' 19' ' ' THR . 16.5 t -59.5 -27.84 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.275 -0.891 . . . . 10.0 110.414 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -88.52 -50.79 6.07 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.25 -0.906 . . . . 10.0 109.77 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 18' ' ' TYR . 3.3 t -57.8 -36.29 54.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.503 -0.748 . . . . 10.0 109.905 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' A LEU . . . . . 0.53 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.4 OUTLIER -72.61 -42.03 64.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 10.0 109.66 179.407 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -77.93 -44.81 25.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 10.0 110.082 179.726 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 10.0 mm100 -81.53 -31.69 32.66 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.147 -0.971 . . . . 10.0 110.194 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 42.21 56.51 10.26 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.368 -0.832 . . . . 10.0 110.348 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -70.29 159.66 52.25 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.023 1.538 . . . . 10.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.93 -33.67 15.49 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 O-C-N 124.006 1.529 . . . . 10.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.94 132.06 31.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.937 . . . . 10.0 110.092 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.544 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.4 OUTLIER -77.84 -47.04 19.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.204 -0.935 . . . . 10.0 110.1 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.544 ' C ' ' O ' ' A' ' 30' ' ' LEU . 11.2 t -30.6 -68.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.637 -0.665 . . . . 10.0 110.386 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.521 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -52.44 -50.46 62.54 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.399 -0.813 . . . . 10.0 109.666 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.521 ' N ' ' CG ' ' A' ' 32' ' ' ASP . 0.9 OUTLIER -51.92 -66.78 0.33 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.172 -0.955 . . . . 10.0 108.82 178.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.834 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -39.69 -30.56 0.08 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.681 -0.637 . . . . 10.0 109.929 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.678 HG23 ' HB3' ' B' ' 38' ' ' PHE . 6.9 t -84.15 -60.03 2.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 O-C-N 121.19 -0.944 . . . . 10.0 110.119 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -50.04 -35.74 26.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.873 . . . . 10.0 110.07 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.444 ' HB2' ' HE1' ' A' ' 33' ' ' PHE . 14.6 t80 -77.37 -63.85 1.28 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.862 . . . . 10.0 110.606 -179.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.681 ' HB3' HG23 ' B' ' 35' ' ' VAL . 10.7 m-85 -58.29 -45.73 87.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 10.0 110.397 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 15.9 m -52.99 -45.66 67.93 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.001 -1.062 . . . . 10.0 109.933 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -68.32 -29.62 68.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 10.0 110.053 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.402 HD12 ' CZ ' ' A' ' 37' ' ' TYR . 1.1 mt -77.51 -27.53 51.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.369 -0.832 . . . . 10.0 110.111 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.31 -45.31 73.33 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.31 -0.869 . . . . 10.0 109.793 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 2.8 mp0 -67.85 -11.41 58.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 10.0 110.135 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.709 ' O ' ' O ' ' A' ' 45' ' ' ARG . . . -73.87 -71.83 0.3 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.258 -0.901 . . . . 10.0 110.75 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.709 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -23.11 -114.55 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.156 0.503 . . . . 10.0 111.949 -178.558 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.564 ' CD ' ' O ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 O-C-N 120.943 -1.098 . . . . 10.0 110.253 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 62.7 m170 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.168 0.509 . . . . 10.0 110.171 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 8.4 mmt -45.11 -40.71 7.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.884 . . . . 10.0 110.175 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.43 -150.39 45.13 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.522 -1.431 . . . . 10.0 109.522 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.09 168.24 18.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.273 -1.134 . . . . 10.0 110.207 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 mp -121.07 131.73 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.306 -0.871 . . . . 10.0 110.094 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -150.4 92.56 1.88 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 10.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.5 114.5 12.15 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.242 -0.911 . . . . 10.0 110.158 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -71.22 127.01 12.91 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 123.997 1.525 . . . . 10.0 110.661 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.78 -168.86 0.49 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 O-C-N 123.976 1.514 . . . . 10.0 110.412 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.95 -44.94 3.34 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.529 -1.428 . . . . 10.0 109.529 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' B' ' 12' ' ' THR . 18.3 tp -60.55 -24.19 65.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.19 -1.182 . . . . 10.0 110.174 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 20.1 m -39.83 -72.24 0.07 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 10.0 110.148 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.503 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.8 mm-40 -34.18 -48.63 0.33 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.657 -0.652 . . . . 10.0 110.502 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 1.3 mp -60.21 -78.42 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.272 -0.893 . . . . 10.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' B' ' 14' ' ' LEU . 2.6 mp -43.58 -50.88 7.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.949 . . . . 10.0 109.929 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' B' ' 12' ' ' THR . 1.3 tt0 -48.1 -48.97 33.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.178 -0.951 . . . . 10.0 109.503 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.529 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -47.83 -54.28 11.92 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.922 -1.671 . . . . 10.0 108.922 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.915 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.3 OUTLIER -41.24 -56.06 2.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.399 -1.059 . . . . 10.0 109.794 179.503 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.533 ' O ' ' HB2' ' B' ' 23' B LEU . 0.8 OUTLIER -49.49 -46.3 48.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.388 -0.82 . . . . 10.0 109.74 179.538 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 16.4 t -64.09 -26.7 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.288 -0.883 . . . . 10.0 110.336 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.529 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -89.37 -50.41 6.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.139 -0.975 . . . . 10.0 109.644 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.915 HG23 ' O ' ' B' ' 18' ' ' TYR . 3.4 t -57.68 -36.05 53.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.547 -0.72 . . . . 10.0 109.892 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' B LEU . . . . . 0.533 ' HB2' ' O ' ' B' ' 19' ' ' THR . 0.4 OUTLIER -73.09 -42.68 62.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.201 -0.937 . . . . 10.0 109.707 179.476 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -77.09 -44.4 30.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.398 -0.814 . . . . 10.0 110.025 179.758 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' B' ' 21' ' ' GLU . 9.9 mm100 -82.13 -31.32 30.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 10.0 110.256 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 42.0 56.54 9.95 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.307 -0.87 . . . . 10.0 110.38 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.457 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 43.6 Cg_endo -70.11 159.05 54.51 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 123.991 1.521 . . . . 10.0 110.588 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.79 -33.04 17.28 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 O-C-N 124.052 1.554 . . . . 10.0 110.591 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -138.54 131.45 29.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 10.0 110.139 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.545 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.4 OUTLIER -77.38 -46.77 21.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.249 -0.907 . . . . 10.0 110.192 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.545 ' C ' ' O ' ' B' ' 30' ' ' LEU . 11.5 t -30.87 -68.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.633 -0.667 . . . . 10.0 110.439 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.521 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -51.95 -50.82 60.44 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.427 -0.796 . . . . 10.0 109.593 179.769 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.521 ' N ' ' CG ' ' B' ' 32' ' ' ASP . 0.9 OUTLIER -51.48 -66.71 0.34 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.172 -0.955 . . . . 10.0 108.904 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.821 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -39.72 -30.98 0.09 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.65 -0.656 . . . . 10.0 109.926 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.681 HG23 ' HB3' ' A' ' 38' ' ' PHE . 6.8 t -83.67 -59.44 2.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.177 -0.952 . . . . 10.0 109.971 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -50.98 -35.99 36.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.3 -0.875 . . . . 10.0 110.204 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.458 ' HB2' ' HE1' ' B' ' 33' ' ' PHE . 14.2 t80 -77.09 -63.04 1.46 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 10.0 110.534 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.678 ' HB3' HG23 ' A' ' 35' ' ' VAL . 11.0 m-85 -59.1 -44.9 91.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.194 -0.941 . . . . 10.0 110.465 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.564 ' HA ' HG21 ' A' ' 35' ' ' VAL . 14.4 m -53.06 -45.6 68.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.951 -1.093 . . . . 10.0 109.881 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -68.49 -29.84 68.54 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.349 -0.845 . . . . 10.0 110.176 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' B' ' 44' ' ' ALA . 1.1 mt -77.48 -27.75 52.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 10.0 110.17 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.17 -45.48 73.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.338 -0.851 . . . . 10.0 109.756 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' B' ' 42' ' ' ARG . 2.9 mp0 -67.64 -11.41 58.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.28 -0.887 . . . . 10.0 110.182 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.705 ' O ' ' O ' ' B' ' 45' ' ' ARG . . . -74.12 -71.92 0.3 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.254 -0.904 . . . . 10.0 110.66 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.705 ' O ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -22.81 -114.43 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.207 0.527 . . . . 10.0 111.892 -178.522 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.569 ' CD ' ' O ' ' B' ' 45' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.715 0 O-C-N 120.945 -1.097 . . . . 10.0 110.103 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 51.6 m80 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.236 0.541 . . . . 10.0 110.234 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.454 ' O ' HG22 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -144.44 9.93 1.42 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.244 -0.91 . . . . 10.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.1 -11.77 46.73 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.411 -1.476 . . . . 10.0 109.411 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -118.41 37.17 4.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.28 -1.13 . . . . 10.0 110.231 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.694 HD13 ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -137.67 32.93 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.217 -0.927 . . . . 10.0 110.034 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.718 ' H ' HD13 ' A' ' 7' ' ' ILE . 44.1 mt-30 -158.71 55.86 0.43 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.255 -0.903 . . . . 10.0 110.638 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.78 ' N ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -121.28 37.06 0.28 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.159 -0.963 . . . . 10.0 110.7 179.44 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.71 ' CD ' ' N ' ' A' ' 7' ' ' ILE . 50.3 Cg_endo -73.37 139.64 29.17 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 O-C-N 123.801 1.421 . . . . 10.0 110.597 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.516 ' O ' ' N ' ' A' ' 11' ' ' LEU . 51.4 Cg_endo -80.74 118.42 3.47 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 123.969 1.51 . . . . 10.0 111.536 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.571 ' O ' HD12 ' A' ' 14' ' ' LEU . . . 46.3 13.98 0.09 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.163 -1.175 . . . . 10.0 110.163 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.96 HD22 HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -85.68 -40.55 16.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.992 -1.299 . . . . 10.0 110.078 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' LEU . 6.8 m -44.42 -38.34 3.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 10.0 109.95 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -51.92 61.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.414 -0.804 . . . . 10.0 109.8 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 10' ' ' GLY . 2.1 mp -62.17 -41.49 98.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.304 -0.872 . . . . 10.0 109.835 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.96 HD13 HD22 ' A' ' 11' ' ' LEU . 1.2 mp -63.15 -53.61 50.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.302 -0.873 . . . . 10.0 110.009 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -39.75 -63.66 0.56 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 10.0 109.707 179.768 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -48.14 -54.54 12.09 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.604 -1.798 . . . . 10.0 108.604 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.931 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -38.2 -62.66 0.55 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.509 -0.995 . . . . 10.0 110.488 179.635 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.07 -33.98 20.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.39 -0.819 . . . . 10.0 110.209 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 85.8 t -77.85 -17.19 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.237 -0.915 . . . . 10.0 110.558 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG3' ' CA ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -94.17 -39.05 10.76 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.137 -0.977 . . . . 10.0 110.058 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.9 t -68.18 -31.53 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.401 -0.812 . . . . 10.0 110.126 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' A LEU . . . . . 0.728 HD11 HG12 ' B' ' 7' ' ' ILE . 0.3 OUTLIER -90.41 -32.86 16.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 10.0 110.338 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.557 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -75.69 -68.53 0.56 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.046 -1.034 . . . . 10.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -76.04 -19.74 58.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.403 -0.811 . . . . 10.0 110.213 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 43.14 74.31 0.8 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.183 -0.948 . . . . 10.0 109.953 -179.742 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.26 162.5 41.56 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.101 1.58 . . . . 10.0 110.681 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.51 -55.42 0.19 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 124.017 1.535 . . . . 10.0 110.344 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.472 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 5.5 m-20 -116.38 123.57 47.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.328 -0.858 . . . . 10.0 109.999 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.659 HD23 HG13 ' A' ' 22' ' ' VAL . 1.3 tm? -72.19 -59.27 2.82 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.259 -0.901 . . . . 10.0 110.258 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.533 ' C ' ' O ' ' A' ' 30' ' ' LEU . 21.8 t -34.48 -66.75 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.324 -0.86 . . . . 10.0 110.043 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -51.07 -42.83 60.84 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.6 -0.688 . . . . 10.0 109.872 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.495 ' HB3' ' O ' ' A' ' 30' ' ' LEU . 34.3 t80 -58.63 -51.47 69.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.168 -0.958 . . . . 10.0 109.484 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.931 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -49.79 -36.8 27.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.339 -0.851 . . . . 10.0 109.597 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.565 ' HA ' HG22 ' B' ' 35' ' ' VAL . 4.9 t -82.21 -57.21 4.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.565 -0.71 . . . . 10.0 110.125 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 3.4 mm-40 -50.2 -42.25 51.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 10.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.407 ' CE2' ' OE2' ' A' ' 21' ' ' GLU . 17.6 t80 -72.01 -65.31 0.79 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 10.0 110.433 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 16.2 m-85 -56.61 -37.93 71.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.146 -0.971 . . . . 10.0 110.471 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.581 ' CA ' HG21 ' B' ' 35' ' ' VAL . 24.1 m -55.29 -41.32 72.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.097 -1.002 . . . . 10.0 110.047 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -71.91 -28.87 63.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.336 -0.852 . . . . 10.0 110.435 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -64.66 -40.75 95.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.214 -0.929 . . . . 10.0 110.323 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -14.12 5.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 10.0 110.232 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -109.51 11.99 24.66 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.937 . . . . 10.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.577 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -127.04 -72.31 0.65 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.177 -0.952 . . . . 10.0 110.597 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -26.16 120.68 0.08 Allowed 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.298 0.57 . . . . 10.0 111.113 -178.633 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.994 -1.003 . . . . 10.0 110.17 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 52.3 m80 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.29 0.566 . . . . 10.0 110.222 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' MET . . . . . 0.449 ' O ' HG22 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -144.5 10.2 1.42 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.206 -0.934 . . . . 10.0 110.261 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.28 -11.56 47.01 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.514 -1.434 . . . . 10.0 109.514 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -118.48 36.92 4.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.237 -1.155 . . . . 10.0 110.238 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.69 HD13 ' O ' ' B' ' 5' ' ' ILE . 0.0 OUTLIER -137.33 32.83 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.251 -0.906 . . . . 10.0 110.03 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.723 ' H ' HD13 ' B' ' 7' ' ' ILE . 44.8 mt-30 -158.45 55.86 0.45 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.247 -0.908 . . . . 10.0 110.615 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.788 ' N ' HD13 ' B' ' 7' ' ' ILE . 0.0 OUTLIER -121.3 37.23 0.29 Allowed Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.112 -0.993 . . . . 10.0 110.726 179.417 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' B' ' 7' ' ' ILE . 49.7 Cg_endo -73.51 139.87 29.12 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 O-C-N 123.799 1.42 . . . . 10.0 110.565 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' B' ' 11' ' ' LEU . 52.0 Cg_endo -80.79 118.44 3.45 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 O-C-N 123.849 1.447 . . . . 10.0 111.52 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.575 ' O ' HD12 ' B' ' 14' ' ' LEU . . . 46.28 13.85 0.08 OUTLIER Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.3 -1.12 . . . . 10.0 110.3 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.977 HD22 HD13 ' B' ' 15' ' ' LEU . 0.2 OUTLIER -85.62 -40.06 16.63 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.928 -1.337 . . . . 10.0 110.161 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.409 ' C ' ' O ' ' B' ' 11' ' ' LEU . 7.0 m -44.77 -37.96 4.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 10.0 109.969 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -52.11 59.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.408 -0.807 . . . . 10.0 109.835 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.575 HD12 ' O ' ' B' ' 10' ' ' GLY . 2.2 mp -61.91 -41.87 98.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.804 . . . . 10.0 109.848 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.977 HD13 HD22 ' B' ' 11' ' ' LEU . 1.2 mp -62.91 -53.2 57.86 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.33 -0.856 . . . . 10.0 110.05 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' B' ' 15' ' ' LEU . 0.6 OUTLIER -39.94 -63.66 0.58 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 10.0 109.675 179.663 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.52 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -48.12 -54.59 11.9 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 108.616 -1.794 . . . . 10.0 108.616 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.942 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 1.0 OUTLIER -37.97 -62.84 0.52 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.509 -0.995 . . . . 10.0 110.457 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -34.04 19.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.413 -0.804 . . . . 10.0 110.221 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.556 ' O ' ' HB3' ' B' ' 24' ' ' ARG . 81.1 t -77.99 -16.99 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.27 -0.894 . . . . 10.0 110.523 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.581 ' HG3' ' CA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -94.27 -38.89 10.8 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.14 -0.975 . . . . 10.0 110.032 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.86 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.9 t -68.35 -31.35 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 10.0 110.08 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' B LEU . . . . . 0.701 HD11 HG12 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.35 -33.64 15.99 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.136 -0.977 . . . . 10.0 110.414 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.556 ' HB3' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -75.35 -68.35 0.57 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.137 -0.977 . . . . 10.0 110.416 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -75.74 -20.14 58.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.366 -0.834 . . . . 10.0 110.22 -179.686 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 43.13 74.23 0.81 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.242 -0.911 . . . . 10.0 109.853 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.35 162.58 41.28 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.13 1.595 . . . . 10.0 110.687 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -69.42 -55.31 0.19 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 O-C-N 124.08 1.569 . . . . 10.0 110.34 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.47 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 5.4 m-20 -116.53 123.51 47.6 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 10.0 109.968 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.655 HD23 HG13 ' B' ' 22' ' ' VAL . 1.3 tm? -72.3 -59.07 2.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 10.0 110.323 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.534 ' C ' ' O ' ' B' ' 30' ' ' LEU . 21.7 t -34.32 -66.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.294 -0.879 . . . . 10.0 110.006 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.47 ' OD1' ' O ' ' B' ' 29' ' ' ASP . 0.0 OUTLIER -51.05 -42.95 60.85 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.642 -0.661 . . . . 10.0 109.933 179.726 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.491 ' HB3' ' O ' ' B' ' 30' ' ' LEU . 34.6 t80 -58.58 -51.66 68.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.035 -1.041 . . . . 10.0 109.374 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.942 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -49.62 -37.02 26.27 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.247 -0.908 . . . . 10.0 109.496 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.581 HG21 ' CA ' ' A' ' 39' ' ' THR . 5.1 t -82.16 -57.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.507 -0.746 . . . . 10.0 110.156 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.498 ' O ' ' HD2' ' B' ' 40' ' ' ARG . 3.2 mm-40 -50.32 -42.28 52.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 10.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.411 ' CE2' ' OE2' ' B' ' 21' ' ' GLU . 17.5 t80 -71.93 -65.08 0.81 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.242 -0.911 . . . . 10.0 110.361 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.506 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 16.0 m-85 -56.85 -38.54 72.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.183 -0.948 . . . . 10.0 110.461 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.559 ' CA ' HG21 ' A' ' 35' ' ' VAL . 27.4 m -54.63 -41.32 69.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.066 -1.021 . . . . 10.0 110.048 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.498 ' HD2' ' O ' ' B' ' 36' ' ' GLU . 0.8 OUTLIER -71.69 -29.81 64.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 10.0 110.528 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' B' ' 45' ' ' ARG . 0.7 OUTLIER -63.92 -40.35 96.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.162 -0.961 . . . . 10.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -13.92 5.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.16 -0.962 . . . . 10.0 110.281 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -109.81 11.81 24.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.226 -0.921 . . . . 10.0 110.31 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.577 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -126.56 -72.07 0.66 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.308 -0.87 . . . . 10.0 110.651 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.2 OUTLIER -26.25 121.02 0.08 Allowed 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 121.286 0.565 . . . . 10.0 111.001 -178.668 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 117.925 -1.036 . . . . 10.0 110.19 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.187 0.518 . . . . 10.0 110.183 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.463 ' O ' ' O ' ' A' ' 1' ' ' HIS . 2.7 mtt 46.78 97.93 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.327 -0.858 . . . . 10.0 110.257 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.64 -4.69 4.39 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.53 -1.428 . . . . 10.0 109.53 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 4' ' ' HIS . 11.4 t60 -150.3 28.62 0.73 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -1.17 . . . . 10.0 110.063 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.561 HG22 ' H ' ' A' ' 6' ' ' GLN . 10.7 mm -110.09 178.45 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.91 . . . . 10.0 110.193 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.879 ' HB3' HD12 ' B' ' 23' B LEU . 0.0 OUTLIER -109.88 -155.82 0.57 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.913 . . . . 10.0 110.26 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.1 mm -106.63 76.1 0.41 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.169 -0.957 . . . . 10.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.869 ' HB2' ' HB3' ' A' ' 11' ' ' LEU . 44.2 Cg_endo -70.48 116.31 4.58 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 O-C-N 124.138 1.599 . . . . 10.0 110.561 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.555 ' O ' ' N ' ' A' ' 11' ' ' LEU . 51.3 Cg_endo -77.0 119.3 5.03 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 O-C-N 123.947 1.498 . . . . 10.0 111.519 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 42.93 18.71 0.05 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.778 -1.329 . . . . 10.0 109.778 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.869 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . 2.1 tp -72.11 -48.65 42.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.123 -1.222 . . . . 10.0 110.101 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.547 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 1.2 m -55.47 -26.7 43.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.317 -0.864 . . . . 10.0 110.056 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -73.02 -65.42 0.8 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.91 . . . . 10.0 110.355 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.8 HD21 HG22 ' B' ' 31' ' ' VAL . 1.7 mp -53.88 -38.72 65.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.267 -0.896 . . . . 10.0 110.32 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 1.2 mp -66.43 -52.84 42.25 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.178 -0.951 . . . . 10.0 110.12 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -43.48 -48.8 7.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.136 -0.977 . . . . 10.0 109.65 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.547 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -52.97 -59.59 9.18 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.027 -1.629 . . . . 10.0 109.027 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.851 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -42.13 -50.1 4.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.356 -1.084 . . . . 10.0 109.943 179.715 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.766 ' O ' HD23 ' A' ' 23' A LEU . 1.0 OUTLIER -58.73 -28.36 65.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.323 -0.86 . . . . 10.0 109.721 179.701 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.583 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 58.1 t -86.45 -19.33 8.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 120.961 -1.087 . . . . 10.0 110.19 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -95.05 -47.37 6.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.046 -1.034 . . . . 10.0 109.115 179.397 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.75 HG13 HD21 ' A' ' 30' ' ' LEU . 48.3 t -61.28 -39.58 83.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.72 -0.613 . . . . 10.0 109.934 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' A LEU . . . . . 0.87 HD12 ' HB3' ' B' ' 6' ' ' GLN . 3.0 mm? -86.26 -29.17 23.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.907 . . . . 10.0 110.253 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.583 ' CB ' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -102.49 29.13 5.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.146 -0.971 . . . . 10.0 110.245 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.656 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -178.53 27.72 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 10.0 110.352 179.806 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.656 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -12.85 87.32 0.03 OUTLIER Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.547 -0.721 . . . . 10.0 111.097 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.556 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.5 Cg_endo -69.49 166.58 26.79 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.072 1.564 . . . . 10.0 110.752 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.459 ' O ' ' OD1' ' A' ' 29' ' ' ASP . 43.4 Cg_endo -69.59 -32.49 19.15 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 O-C-N 124.04 1.547 . . . . 10.0 110.559 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 1.1 m-20 -143.61 130.92 20.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.214 -0.929 . . . . 10.0 110.233 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.75 HD21 HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -77.17 -70.05 0.49 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.232 -0.918 . . . . 10.0 110.118 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.829 HG22 HD21 ' B' ' 14' ' ' LEU . 18.9 t -37.46 -64.24 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.273 -0.892 . . . . 10.0 109.427 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.521 ' N ' ' HD2' ' B' ' 42' ' ' ARG . 5.0 t0 -52.08 -44.44 64.34 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.67 -0.643 . . . . 10.0 109.454 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -56.21 -59.54 4.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -0.929 . . . . 10.0 108.955 178.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.851 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -46.68 -30.57 2.42 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.823 -0.751 . . . . 10.0 109.164 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.607 ' O ' ' HB ' ' A' ' 39' ' ' THR . 2.9 t -81.68 -62.09 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.413 -0.805 . . . . 10.0 109.952 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.463 ' HG2' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -46.73 -39.87 12.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.44 -0.788 . . . . 10.0 110.406 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.463 ' N ' ' HG2' ' A' ' 36' ' ' GLU . 74.7 t80 -76.82 -62.01 1.78 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.247 -0.908 . . . . 10.0 110.611 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.606 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 17.7 m-85 -57.77 -44.43 86.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.16 -0.963 . . . . 10.0 110.38 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.607 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 2.4 m -57.29 -48.79 78.02 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.07 -1.019 . . . . 10.0 109.646 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -66.81 -38.17 85.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.363 -0.836 . . . . 10.0 110.15 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -51.78 -42.36 62.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.221 -0.925 . . . . 10.0 109.9 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' B' ' 32' ' ' ASP . 1.8 mmp_? -54.23 -19.96 6.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 10.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.494 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -112.33 -4.18 14.37 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.252 -0.905 . . . . 10.0 109.985 -179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -38.38 -73.0 0.05 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.196 -0.94 . . . . 10.0 110.569 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' C ' ' O ' ' A' ' 44' ' ' ALA . 9.0 tpt180 -33.7 128.59 0.34 Allowed 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.285 0.564 . . . . 10.0 110.482 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.011 -0.995 . . . . 10.0 110.103 -179.755 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.468 ' O ' ' O ' ' B' ' 2' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.285 0.564 . . . . 10.0 110.219 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 2' ' ' MET . . . . . 0.468 ' O ' ' O ' ' B' ' 1' ' ' HIS . 2.7 mtt 46.68 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.215 -0.928 . . . . 10.0 110.272 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.87 -4.52 4.28 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.495 -1.442 . . . . 10.0 109.495 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.575 ' CG ' ' O ' ' B' ' 4' ' ' HIS . 11.2 t60 -150.71 29.04 0.69 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.197 -1.178 . . . . 10.0 110.166 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.561 HG22 ' H ' ' B' ' 6' ' ' GLN . 10.7 mm -110.5 178.66 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.334 -0.854 . . . . 10.0 110.121 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.87 ' HB3' HD12 ' A' ' 23' A LEU . 0.0 OUTLIER -109.99 -155.85 0.57 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.276 -0.89 . . . . 10.0 110.22 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 42.6 mm -106.66 76.17 0.42 Allowed Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.171 -0.955 . . . . 10.0 110.334 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.867 ' HB2' ' HB3' ' B' ' 11' ' ' LEU . 44.1 Cg_endo -70.41 116.15 4.5 Favored 'Trans proline' 0 C--N 1.303 -1.829 0 O-C-N 124.127 1.593 . . . . 10.0 110.599 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.551 ' O ' ' N ' ' B' ' 11' ' ' LEU . 51.2 Cg_endo -76.98 119.13 4.98 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 123.951 1.5 . . . . 10.0 111.475 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 42.99 18.57 0.05 OUTLIER Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.86 -1.296 . . . . 10.0 109.86 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.867 ' HB3' ' HB2' ' B' ' 8' ' ' PRO . 2.1 tp -71.88 -49.02 41.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.087 -1.243 . . . . 10.0 110.027 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.547 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 1.3 m -55.2 -26.48 39.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.302 -0.874 . . . . 10.0 110.17 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -73.39 -65.25 0.84 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 10.0 110.276 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.829 HD21 HG22 ' A' ' 31' ' ' VAL . 1.8 mp -54.17 -38.36 65.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 10.0 110.41 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 1.2 mp -66.64 -52.86 40.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.963 . . . . 10.0 110.157 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -43.59 -48.91 7.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.095 -1.003 . . . . 10.0 109.681 179.79 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.545 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -52.65 -59.71 8.84 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.966 -1.654 . . . . 10.0 108.966 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.84 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.3 OUTLIER -41.92 -50.58 4.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.376 -1.073 . . . . 10.0 109.989 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.756 ' O ' HD23 ' B' ' 23' B LEU . 1.0 OUTLIER -58.38 -28.45 65.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.286 -0.884 . . . . 10.0 109.73 179.646 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.594 ' O ' ' CB ' ' B' ' 24' ' ' ARG . 60.6 t -86.28 -19.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 120.903 -1.123 . . . . 10.0 110.174 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.557 ' O ' ' CG ' ' B' ' 25' ' ' GLN . 0.2 OUTLIER -95.01 -47.49 6.38 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.081 -1.012 . . . . 10.0 109.098 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.738 HG13 HD21 ' B' ' 30' ' ' LEU . 48.9 t -61.05 -39.84 83.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.68 -0.638 . . . . 10.0 110.028 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' B LEU . . . . . 0.879 HD12 ' HB3' ' A' ' 6' ' ' GLN . 2.8 mm? -86.5 -28.61 23.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 10.0 110.292 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.594 ' CB ' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -102.77 28.93 5.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.238 -0.914 . . . . 10.0 110.26 179.796 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.657 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -178.28 27.85 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.201 -0.937 . . . . 10.0 110.244 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.657 ' C ' ' O ' ' B' ' 25' ' ' GLN . 1.0 OUTLIER -12.96 87.43 0.03 OUTLIER Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.566 -0.708 . . . . 10.0 111.086 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.558 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 43.1 Cg_endo -69.6 166.53 27.1 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 O-C-N 124.101 1.579 . . . . 10.0 110.73 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.457 ' O ' ' OD1' ' B' ' 29' ' ' ASP . 43.1 Cg_endo -69.57 -32.96 18.29 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.034 1.544 . . . . 10.0 110.633 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' B' ' 33' ' ' PHE . 1.1 m-20 -143.21 131.12 21.59 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.19 -0.944 . . . . 10.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.738 HD21 HG13 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -77.12 -70.24 0.48 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.217 -0.927 . . . . 10.0 110.154 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.8 HG22 HD21 ' A' ' 14' ' ' LEU . 21.0 t -37.35 -64.23 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.135 -0.978 . . . . 10.0 109.386 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 5.0 t0 -51.98 -44.64 64.12 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.753 -0.592 . . . . 10.0 109.429 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' B' ' 33' ' ' PHE . 0.6 OUTLIER -56.06 -59.82 4.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.273 -0.892 . . . . 10.0 108.913 179.025 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.84 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -46.75 -30.36 2.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.393 -0.817 . . . . 10.0 109.245 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.606 ' O ' ' HB ' ' B' ' 39' ' ' THR . 2.9 t -81.65 -62.1 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.397 -0.814 . . . . 10.0 109.902 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -46.92 -40.13 13.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.358 -0.839 . . . . 10.0 110.386 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.471 ' N ' ' HG2' ' B' ' 36' ' ' GLU . 75.0 t80 -76.43 -62.41 1.63 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 10.0 110.555 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 17.8 m-85 -57.42 -43.99 84.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.121 -0.987 . . . . 10.0 110.374 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.606 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 2.4 m -57.56 -49.52 76.11 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.864 -1.148 . . . . 10.0 109.608 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -66.05 -38.85 89.38 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.395 -0.816 . . . . 10.0 110.258 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' B' ' 41' ' ' LEU . 0.0 OUTLIER -51.23 -41.94 60.66 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.2 -0.937 . . . . 10.0 109.914 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.521 ' HD2' ' N ' ' A' ' 32' ' ' ASP . 1.7 mmp_? -54.69 -20.28 7.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.138 -0.976 . . . . 10.0 110.282 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.497 ' O ' ' OE2' ' B' ' 43' ' ' GLU . 0.6 OUTLIER -111.89 -4.02 14.7 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.345 -0.847 . . . . 10.0 109.948 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.523 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -38.42 -73.13 0.05 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.239 -0.913 . . . . 10.0 110.552 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.523 ' C ' ' O ' ' B' ' 44' ' ' ALA . 9.0 tpt180 -33.99 128.65 0.37 Allowed 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 120.308 -0.557 . . . . 10.0 110.454 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.007 -0.997 . . . . 10.0 110.183 -179.717 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.23 0.538 . . . . 10.0 110.207 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.8 ptm -99.48 36.7 1.71 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 10.0 110.202 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.22 -161.92 29.3 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.47 -1.452 . . . . 10.0 109.47 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.487 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -130.09 -168.86 2.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -1.128 . . . . 10.0 110.335 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 5' ' ' ILE . 28.5 mm -121.92 95.27 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.213 -0.929 . . . . 10.0 110.07 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.432 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.1 mm-40 -143.38 153.67 42.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.229 -0.919 . . . . 10.0 110.388 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.643 HG23 ' HG ' ' B' ' 23' B LEU . 32.3 mm -108.34 81.43 1.34 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.177 -0.952 . . . . 10.0 110.075 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 6' ' ' GLN . 45.2 Cg_endo -70.41 131.49 20.42 Favored 'Trans proline' 0 C--N 1.303 -1.822 0 O-C-N 123.995 1.524 . . . . 10.0 110.638 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.86 166.7 29.27 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 O-C-N 124.087 1.572 . . . . 10.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 14' ' ' LEU . . . 126.21 -23.74 5.75 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.427 -1.469 . . . . 10.0 109.427 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -81.53 -60.37 2.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.399 -1.059 . . . . 10.0 110.266 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' LEU . 57.9 m -39.78 -80.56 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.359 -0.838 . . . . 10.0 110.452 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.4 mp0 -39.38 -48.96 1.98 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.451 -0.781 . . . . 10.0 110.422 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 10' ' ' GLY . 1.7 tp -59.08 -40.89 86.63 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.264 -0.898 . . . . 10.0 110.281 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 15' ' ' LEU . 19.9 mt -65.67 -65.94 0.61 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.148 -0.97 . . . . 10.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.704 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.2 mt-30 -39.76 -45.28 1.71 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.3 -0.875 . . . . 10.0 110.12 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' HG2' ' A' ' 21' ' ' GLU . . . -53.91 -47.72 64.89 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.437 -1.465 . . . . 10.0 109.437 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.665 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -71.41 -57.33 4.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.13 -1.217 . . . . 10.0 109.61 179.772 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.524 ' N ' ' CG ' ' A' ' 18' ' ' TYR . 1.8 m -51.08 -26.98 7.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 10.0 109.436 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 16' ' ' GLN . 10.2 t -73.4 -31.15 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.414 -0.804 . . . . 10.0 110.005 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.665 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.2 mt-10 -74.6 -32.97 62.52 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.232 -0.918 . . . . 10.0 109.695 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.5 t -70.97 -42.07 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.546 -0.721 . . . . 10.0 109.965 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' A LEU . . . . . 0.634 ' HG ' HG23 ' B' ' 7' ' ' ILE . 10.8 mp -80.7 -8.12 59.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 10.0 109.784 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.64 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 2.1 tpt180 -100.38 -35.0 9.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -0.81 . . . . 10.0 109.907 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.2 pt20 -114.09 -15.87 12.2 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.257 -0.902 . . . . 10.0 110.392 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 42.59 78.82 0.36 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.166 -0.959 . . . . 10.0 110.061 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD3' ' HG2' ' A' ' 25' ' ' GLN . 42.8 Cg_endo -69.27 170.98 14.75 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 124.032 1.543 . . . . 10.0 110.685 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.32 -22.85 33.49 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 O-C-N 124.075 1.566 . . . . 10.0 110.469 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -150.28 124.68 9.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.368 -0.833 . . . . 10.0 110.009 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -82.34 -65.55 1.0 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 10.0 110.249 -179.778 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.547 ' C ' ' O ' ' A' ' 30' ' ' LEU . 9.8 t -32.02 -60.47 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.33 -0.856 . . . . 10.0 110.147 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' OD1' ' NH2' ' B' ' 42' ' ' ARG . 4.3 t0 -63.03 -43.4 98.82 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.594 -0.692 . . . . 10.0 110.245 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' LEU . 73.4 t80 -63.48 -44.66 93.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.157 -0.964 . . . . 10.0 109.78 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.76 -28.95 69.81 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.388 -0.82 . . . . 10.0 110.057 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.555 HG21 ' CA ' ' B' ' 39' ' ' THR . 2.4 t -83.47 -48.06 17.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 121.417 -0.802 . . . . 10.0 110.063 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -51.62 -33.93 35.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.327 -0.858 . . . . 10.0 109.842 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.606 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 4.0 t80 -72.69 -63.87 1.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 10.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.476 ' CE1' ' CE2' ' A' ' 37' ' ' TYR . 23.1 m-85 -58.85 -51.14 71.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.23 -0.919 . . . . 10.0 110.041 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.519 ' CA ' HG21 ' B' ' 35' ' ' VAL . 90.6 m -48.62 -43.9 36.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 10.0 109.868 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -76.45 -24.7 53.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.274 -0.891 . . . . 10.0 109.78 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -53.37 -40.72 65.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.333 -0.854 . . . . 10.0 109.922 179.74 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -50.49 -24.83 3.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.386 -0.821 . . . . 10.0 110.432 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.0 -18.99 17.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.287 -0.883 . . . . 10.0 109.89 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.617 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -64.2 -68.5 0.35 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.411 -0.806 . . . . 10.0 110.725 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.617 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -16.73 129.25 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.395 0.616 . . . . 10.0 111.333 -178.607 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.048 -0.977 . . . . 10.0 110.216 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.243 0.544 . . . . 10.0 110.299 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 9.3 ptm -99.44 37.58 1.56 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -0.914 . . . . 10.0 110.129 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.44 -162.24 30.49 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.536 -1.426 . . . . 10.0 109.536 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.492 ' C ' ' CD2' ' B' ' 4' ' ' HIS . 0.9 OUTLIER -129.96 -168.52 1.97 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.192 -1.181 . . . . 10.0 110.264 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' B' ' 5' ' ' ILE . 28.2 mm -122.06 96.18 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.222 -0.924 . . . . 10.0 110.029 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.45 ' O ' ' HD3' ' B' ' 8' ' ' PRO . 1.1 mm-40 -144.52 153.42 41.83 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.168 -0.958 . . . . 10.0 110.238 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.634 HG23 ' HG ' ' A' ' 23' A LEU . 30.6 mm -108.06 81.88 1.36 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.308 -0.87 . . . . 10.0 110.093 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' B' ' 6' ' ' GLN . 44.7 Cg_endo -70.55 131.6 20.43 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 O-C-N 124.089 1.573 . . . . 10.0 110.607 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.99 166.75 29.2 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 123.96 1.505 . . . . 10.0 110.486 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' B' ' 14' ' ' LEU . . . 126.06 -23.65 5.81 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.515 -1.434 . . . . 10.0 109.515 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.496 HD11 ' OG1' ' A' ' 19' ' ' THR . 0.2 OUTLIER -81.89 -60.16 2.33 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.291 -1.123 . . . . 10.0 110.28 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.45 ' O ' ' C ' ' B' ' 13' ' ' GLU . 53.2 m -39.86 -80.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.285 -0.885 . . . . 10.0 110.519 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.4 mp0 -39.38 -48.97 1.98 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.424 -0.797 . . . . 10.0 110.416 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' B' ' 10' ' ' GLY . 1.5 tp -59.1 -40.9 86.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.272 -0.893 . . . . 10.0 110.289 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' B' ' 15' ' ' LEU . 19.6 mt -65.33 -66.55 0.53 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.246 -0.909 . . . . 10.0 110.306 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.708 ' O ' HG23 ' B' ' 20' ' ' VAL . 1.2 mt-30 -39.33 -45.89 1.5 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 10.0 110.251 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.523 ' O ' ' HG2' ' B' ' 21' ' ' GLU . . . -53.17 -47.83 60.25 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.472 -1.451 . . . . 10.0 109.472 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.678 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -71.49 -57.2 4.64 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.086 -1.244 . . . . 10.0 109.642 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.517 ' N ' ' CG ' ' B' ' 18' ' ' TYR . 1.9 m -51.42 -26.08 7.37 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.257 -0.902 . . . . 10.0 109.472 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.708 HG23 ' O ' ' B' ' 16' ' ' GLN . 10.8 t -74.17 -31.01 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.427 -0.796 . . . . 10.0 110.024 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.678 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.2 mt-10 -74.77 -32.75 62.13 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.198 -0.939 . . . . 10.0 109.753 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.568 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.5 t -71.04 -42.09 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.575 -0.703 . . . . 10.0 109.947 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' B LEU . . . . . 0.643 ' HG ' HG23 ' A' ' 7' ' ' ILE . 10.7 mp -80.55 -8.52 59.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.871 . . . . 10.0 109.88 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.64 ' HB3' ' O ' ' B' ' 20' ' ' VAL . 2.0 tpt180 -100.03 -34.87 9.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.353 -0.842 . . . . 10.0 109.951 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.0 pt20 -114.18 -15.97 12.14 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.207 -0.933 . . . . 10.0 110.482 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 42.63 78.96 0.35 Allowed Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 10.0 110.105 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.4 ' HD3' ' HG2' ' B' ' 25' ' ' GLN . 43.3 Cg_endo -69.39 170.92 15.03 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 O-C-N 124.056 1.556 . . . . 10.0 110.597 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.23 -23.35 33.32 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.032 1.543 . . . . 10.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -149.69 124.78 10.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.319 -0.863 . . . . 10.0 109.915 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.543 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.3 OUTLIER -82.23 -65.91 0.95 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.208 -0.932 . . . . 10.0 110.208 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.543 ' C ' ' O ' ' B' ' 30' ' ' LEU . 7.1 t -31.95 -60.62 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.341 -0.849 . . . . 10.0 110.149 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -62.57 -43.04 99.8 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.549 -0.72 . . . . 10.0 110.187 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 30' ' ' LEU . 73.3 t80 -64.05 -43.69 94.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.165 -0.959 . . . . 10.0 109.847 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.68 -28.98 70.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 10.0 109.982 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.519 HG21 ' CA ' ' A' ' 39' ' ' THR . 2.4 t -83.18 -47.48 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 121.299 -0.875 . . . . 10.0 110.066 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.36 -34.27 46.84 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.287 -0.883 . . . . 10.0 109.903 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.603 ' CD2' ' HB2' ' B' ' 18' ' ' TYR . 4.2 t80 -72.44 -63.52 1.14 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 10.0 110.132 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.474 ' CE1' ' CE2' ' B' ' 37' ' ' TYR . 23.1 m-85 -59.25 -50.62 73.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.198 -0.939 . . . . 10.0 110.118 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.555 ' CA ' HG21 ' A' ' 35' ' ' VAL . 88.6 m -48.81 -45.39 40.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.216 -0.928 . . . . 10.0 109.799 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -75.25 -23.94 57.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.325 -0.859 . . . . 10.0 109.728 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.487 HD13 ' O ' ' B' ' 41' ' ' LEU . 0.4 OUTLIER -54.14 -41.89 68.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.307 -0.871 . . . . 10.0 109.945 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.484 ' NH2' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -47.68 -30.93 4.15 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.176 -0.953 . . . . 10.0 110.278 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -20.46 20.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.366 -0.833 . . . . 10.0 110.277 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -62.28 -69.35 0.26 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.339 -0.85 . . . . 10.0 110.744 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.613 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.1 OUTLIER -16.36 128.81 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.328 0.585 . . . . 10.0 111.346 -178.614 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 118.064 -0.97 . . . . 10.0 110.187 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 56.3 m80 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.272 0.558 . . . . 10.0 110.21 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.28 45.02 7.05 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 10.0 110.115 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 4' ' ' HIS . . . -173.37 -166.37 31.62 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.586 -1.406 . . . . 10.0 109.586 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.575 ' CG ' ' O ' ' A' ' 3' ' ' GLY . 21.3 m80 -163.42 -86.65 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.342 -1.093 . . . . 10.0 110.103 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.809 ' HA ' HD21 ' B' ' 23' B LEU . 1.0 OUTLIER -129.89 144.61 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.246 -0.909 . . . . 10.0 109.873 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 5' ' ' ILE . 1.3 mm-40 -175.77 -161.51 0.09 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.155 -0.965 . . . . 10.0 110.327 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.21 124.3 38.81 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.315 -0.865 . . . . 10.0 110.069 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.701 ' HB2' ' CB ' ' A' ' 11' ' ' LEU . 45.7 Cg_endo -71.54 153.34 60.33 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 O-C-N 123.983 1.517 . . . . 10.0 110.197 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.639 ' O ' ' N ' ' A' ' 11' ' ' LEU . 51.0 Cg_endo -78.72 114.93 3.52 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 O-C-N 123.887 1.467 . . . . 10.0 112.052 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 9' ' ' PRO . . . 39.05 19.78 0.01 OUTLIER Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.977 -1.249 . . . . 10.0 109.977 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.701 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 14.1 tp -66.05 -31.9 73.05 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.142 -1.211 . . . . 10.0 110.449 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 14.0 m -56.47 -77.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.248 -0.907 . . . . 10.0 110.197 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.0 tt0 -35.53 -41.53 0.2 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.566 -0.708 . . . . 10.0 110.71 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.15 -64.11 0.94 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.215 -0.928 . . . . 10.0 110.46 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 HD22 ' B' ' 15' ' ' LEU . 72.6 mt -66.15 -40.74 90.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.233 -0.917 . . . . 10.0 110.437 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 12' ' ' THR . 1.1 tt0 -59.23 -60.25 4.16 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.013 -1.054 . . . . 10.0 109.416 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.513 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -46.65 -31.31 5.13 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 108.994 -1.642 . . . . 10.0 108.994 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.721 ' OH ' ' HA ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -62.46 -61.25 2.57 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.291 -1.123 . . . . 10.0 110.255 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 23' A LEU . 0.4 OUTLIER -42.96 -30.19 0.39 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.223 -0.923 . . . . 10.0 109.826 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.537 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 6.1 t -75.26 -29.64 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.293 -0.879 . . . . 10.0 110.155 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -91.19 -59.58 2.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.17 -0.956 . . . . 10.0 109.575 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.865 HG22 ' CE2' ' A' ' 33' ' ' PHE . 4.1 t -48.6 -39.19 10.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.616 -0.677 . . . . 10.0 109.896 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' A LEU . . . . . 0.7 HD21 ' HA ' ' B' ' 5' ' ' ILE . 16.7 tp -72.8 -50.65 22.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.864 . . . . 10.0 110.427 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.537 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -62.6 -58.3 8.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 10.0 110.544 -179.752 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.535 ' HG3' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -76.53 -22.33 54.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 10.0 110.638 -179.541 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.535 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 1.2 mt-30 41.84 82.26 0.23 Allowed Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.151 -0.968 . . . . 10.0 110.372 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.87 164.5 34.4 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 O-C-N 123.94 1.495 . . . . 10.0 110.439 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.47 -25.82 29.54 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.011 1.532 . . . . 10.0 110.437 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.03 130.39 4.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.923 . . . . 10.0 110.109 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.767 ' CD1' ' HB2' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -63.43 -60.07 3.85 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.214 -0.929 . . . . 10.0 110.436 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 35' ' ' VAL . 11.5 t -26.63 -61.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.51 -0.744 . . . . 10.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.47 ' OD1' ' HD3' ' B' ' 42' ' ' ARG . 0.4 OUTLIER -63.99 -52.91 57.37 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.567 -0.708 . . . . 10.0 110.131 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.865 ' CE2' HG22 ' A' ' 22' ' ' VAL . 89.8 t80 -54.56 -42.45 71.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.272 -0.893 . . . . 10.0 109.81 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.767 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . . . -54.98 -42.45 72.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 10.0 109.824 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 31' ' ' VAL . 44.6 t -70.69 -53.42 22.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.363 -0.836 . . . . 10.0 110.648 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -48.9 -57.02 7.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 10.0 110.856 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.509 ' CG ' ' HE1' ' A' ' 18' ' ' TYR . 79.7 t80 -57.46 -74.42 0.06 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.94 . . . . 10.0 110.747 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.757 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 24.0 m-85 -47.24 -56.31 6.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 10.0 110.774 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.557 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 54.4 m -42.77 -56.72 3.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.092 -1.005 . . . . 10.0 110.24 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.5 mtt85 -58.98 -26.07 64.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.212 -0.93 . . . . 10.0 109.973 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' HB3' HG13 ' B' ' 31' ' ' VAL . 9.2 tp -75.39 -22.81 57.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 10.0 109.992 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -81.65 -14.95 56.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.342 -0.849 . . . . 10.0 110.015 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -107.6 -21.62 12.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.213 -0.929 . . . . 10.0 110.518 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.655 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -92.14 -77.74 0.42 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.151 -0.968 . . . . 10.0 110.774 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.655 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -7.23 82.35 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.22 0.533 . . . . 10.0 111.419 -178.819 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.3 tpm_? . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 117.929 -1.034 . . . . 10.0 110.198 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 55.6 m80 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.203 0.525 . . . . 10.0 110.186 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.17 44.45 7.77 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.295 -0.878 . . . . 10.0 110.196 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLY . . . . . 0.57 ' O ' ' CG ' ' B' ' 4' ' ' HIS . . . -172.65 -166.42 31.16 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.587 -1.405 . . . . 10.0 109.587 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' B' ' 3' ' ' GLY . 20.9 m80 -163.36 -86.51 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.192 -1.181 . . . . 10.0 110.068 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.7 ' HA ' HD21 ' A' ' 23' A LEU . 1.0 OUTLIER -130.02 144.69 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.276 -0.89 . . . . 10.0 109.889 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' B' ' 5' ' ' ILE . 1.4 mm-40 -175.93 -161.28 0.08 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.15 -0.968 . . . . 10.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.2 124.39 38.49 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.26 -0.9 . . . . 10.0 110.123 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.704 ' HB2' ' CB ' ' B' ' 11' ' ' LEU . 47.0 Cg_endo -71.56 153.41 60.22 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 123.866 1.456 . . . . 10.0 110.34 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.637 ' O ' ' N ' ' B' ' 11' ' ' LEU . 51.6 Cg_endo -78.9 114.77 3.46 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 O-C-N 123.826 1.435 . . . . 10.0 112.056 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' B' ' 9' ' ' PRO . . . 39.27 19.51 0.01 OUTLIER Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.928 -1.269 . . . . 10.0 109.928 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.704 ' CB ' ' HB2' ' B' ' 8' ' ' PRO . 14.0 tp -65.96 -32.17 73.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.0 -1.294 . . . . 10.0 110.392 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' B' ' 16' ' ' GLN . 12.1 m -56.01 -78.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 10.0 110.167 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.0 tt0 -35.43 -41.89 0.2 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.585 -0.697 . . . . 10.0 110.713 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 2.9 mp -64.68 -64.0 0.98 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 10.0 110.43 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.453 HD22 HD22 ' A' ' 15' ' ' LEU . 74.3 mt -66.16 -41.12 90.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.933 . . . . 10.0 110.498 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' B' ' 12' ' ' THR . 1.1 tt0 -58.77 -60.49 3.75 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.012 -1.055 . . . . 10.0 109.549 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.507 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -46.4 -31.31 4.77 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.995 -1.642 . . . . 10.0 108.995 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.704 ' OH ' ' HA ' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -62.43 -61.22 2.59 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.293 -1.122 . . . . 10.0 110.281 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' B' ' 23' B LEU . 0.4 OUTLIER -42.94 -30.11 0.38 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.184 -0.948 . . . . 10.0 109.816 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.532 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 5.4 t -75.34 -29.92 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.267 -0.896 . . . . 10.0 110.213 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.55 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.9 OUTLIER -90.97 -59.24 2.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.168 -0.957 . . . . 10.0 109.525 179.772 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.865 HG22 ' CE2' ' B' ' 33' ' ' PHE . 4.0 t -49.03 -38.92 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.675 -0.64 . . . . 10.0 109.943 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' B LEU . . . . . 0.809 HD21 ' HA ' ' A' ' 5' ' ' ILE . 17.1 tp -73.11 -51.14 19.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.257 -0.902 . . . . 10.0 110.378 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -62.04 -58.13 9.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.131 -0.98 . . . . 10.0 110.67 -179.719 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.539 ' HG3' ' N ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -76.69 -22.4 54.0 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.185 -0.947 . . . . 10.0 110.637 -179.605 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.539 ' N ' ' HG3' ' B' ' 25' ' ' GLN . 1.2 mt-30 41.97 82.4 0.23 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.211 -0.931 . . . . 10.0 110.294 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -69.96 164.29 35.29 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 124.04 1.547 . . . . 10.0 110.475 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.42 -24.97 30.63 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 O-C-N 123.983 1.517 . . . . 10.0 110.528 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.96 130.54 4.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.362 -0.836 . . . . 10.0 110.031 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.759 ' CD1' ' HB2' ' B' ' 34' ' ' ALA . 0.6 OUTLIER -63.71 -60.56 3.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.909 . . . . 10.0 110.392 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.627 ' O ' HG23 ' B' ' 35' ' ' VAL . 10.9 t -26.03 -60.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.55 -0.719 . . . . 10.0 110.39 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.54 -52.7 56.37 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.542 -0.724 . . . . 10.0 110.123 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.865 ' CE2' HG22 ' B' ' 22' ' ' VAL . 89.6 t80 -54.71 -42.15 71.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.944 . . . . 10.0 109.688 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.759 ' HB2' ' CD1' ' B' ' 30' ' ' LEU . . . -55.05 -43.12 73.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.33 -0.856 . . . . 10.0 109.75 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.627 HG23 ' O ' ' B' ' 31' ' ' VAL . 42.8 t -70.22 -53.5 22.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.316 -0.865 . . . . 10.0 110.659 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -48.79 -57.89 5.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.208 -0.932 . . . . 10.0 110.967 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.512 ' CG ' ' HE1' ' B' ' 18' ' ' TYR . 78.9 t80 -56.63 -74.15 0.05 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.189 -0.944 . . . . 10.0 110.823 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.765 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 24.1 m-85 -47.59 -56.19 7.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.29 -0.881 . . . . 10.0 110.859 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.558 ' CB ' ' O ' ' B' ' 35' ' ' VAL . 54.5 m -42.66 -56.64 3.06 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.146 -0.971 . . . . 10.0 110.237 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -59.09 -25.63 63.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.17 -0.956 . . . . 10.0 110.033 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.62 ' HB3' HG13 ' A' ' 31' ' ' VAL . 9.3 tp -75.87 -22.85 55.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.21 -0.931 . . . . 10.0 109.965 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.47 ' HD3' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -81.69 -14.66 56.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.324 -0.86 . . . . 10.0 109.979 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -108.05 -20.92 13.01 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.164 -0.96 . . . . 10.0 110.485 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.652 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -92.93 -77.49 0.44 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.168 -0.957 . . . . 10.0 110.701 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.652 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -7.48 82.52 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.296 0.569 . . . . 10.0 111.421 -178.805 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' B' ' 44' ' ' ALA . 1.3 tpm_? . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.015 -0.993 . . . . 10.0 110.164 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.69 ' CD2' ' SD ' ' A' ' 2' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.205 0.526 . . . . 10.0 110.181 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.69 ' SD ' ' CD2' ' A' ' 1' ' ' HIS . 0.0 OUTLIER -127.65 77.73 1.77 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.261 -0.899 . . . . 10.0 110.063 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 2' ' ' MET . . . -42.46 137.79 3.05 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.588 -1.405 . . . . 10.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 1.018 ' CE1' HD11 ' A' ' 5' ' ' ILE . 2.2 t-160 -149.99 -39.83 0.14 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -1.118 . . . . 10.0 110.082 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.018 HD11 ' CE1' ' A' ' 4' ' ' HIS . 15.3 mm -122.03 -165.62 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.445 -0.784 . . . . 10.0 109.747 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.907 ' OE1' HG12 ' B' ' 22' ' ' VAL . 0.4 OUTLIER -99.19 -163.13 1.01 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.111 -0.993 . . . . 10.0 109.747 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.833 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 1.7 mm -112.97 24.61 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 120.683 -1.26 . . . . 10.0 112.735 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.987 ' CG ' HD12 ' A' ' 11' ' ' LEU . 55.5 Cg_endo -81.49 129.78 6.7 Favored 'Trans proline' 0 C--N 1.3 -1.99 0 C-N-CA 121.545 1.496 . . . . 10.0 110.255 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -78.06 119.58 4.72 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 O-C-N 123.831 1.437 . . . . 10.0 110.604 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.63 1.08 55.36 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.874 -1.29 . . . . 10.0 109.874 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.987 HD12 ' CG ' ' A' ' 8' ' ' PRO . 0.6 OUTLIER -73.29 -46.48 49.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.099 -1.236 . . . . 10.0 110.397 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 18.8 m -35.62 -62.22 0.42 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.453 -0.779 . . . . 10.0 110.196 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.5 tt0 -41.36 -49.77 3.79 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.487 -0.758 . . . . 10.0 110.292 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD21 HG22 ' B' ' 31' ' ' VAL . 2.6 mp -56.09 -68.24 0.22 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.203 -0.935 . . . . 10.0 110.424 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.642 HD13 HD21 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -57.74 -58.42 8.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.19 -0.944 . . . . 10.0 110.391 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HB2' ' O ' ' A' ' 12' ' ' THR . 2.7 tt0 -40.56 -43.92 1.98 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.167 -0.958 . . . . 10.0 109.815 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -52.3 -60.77 7.31 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 108.796 -1.722 . . . . 10.0 108.796 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.804 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -39.0 -56.3 1.43 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.499 -1.001 . . . . 10.0 110.138 179.465 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.532 ' OG1' ' HA ' ' B' ' 5' ' ' ILE . 1.1 m -47.76 -40.03 19.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.469 -0.769 . . . . 10.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.805 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 99.1 t -77.35 -20.69 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.183 -0.948 . . . . 10.0 110.751 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -92.72 -52.1 4.78 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.857 -1.152 . . . . 10.0 109.899 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.967 HG12 ' OE1' ' B' ' 6' ' ' GLN . 3.1 t -59.72 -28.73 41.18 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.623 -0.673 . . . . 10.0 110.049 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' A LEU . . . . . 0.711 ' N ' ' HG3' ' B' ' 6' ' ' GLN . 13.9 tp -88.81 -31.45 18.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 10.0 110.095 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.805 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -96.88 35.46 1.54 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 10.0 110.387 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.545 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 2.6 pt20 -175.08 -34.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 10.0 110.465 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER 40.97 79.94 0.3 Allowed Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.359 -0.838 . . . . 10.0 110.224 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.66 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -70.44 170.72 16.72 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 O-C-N 124.025 1.539 . . . . 10.0 110.684 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.83 -24.68 29.07 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 O-C-N 124.02 1.537 . . . . 10.0 110.467 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -142.19 132.04 24.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 10.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.575 ' CD1' ' HG ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -86.0 -67.85 0.78 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.206 -0.934 . . . . 10.0 110.277 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.542 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.7 t -34.04 -66.4 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.312 -0.867 . . . . 10.0 109.706 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD2' ' HD3' ' B' ' 42' ' ' ARG . 5.3 t0 -50.51 -44.04 55.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.674 -0.641 . . . . 10.0 109.527 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.66 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 0.7 OUTLIER -57.06 -63.06 1.34 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.229 -0.919 . . . . 10.0 109.057 178.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.804 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -44.84 -29.95 0.89 Allowed 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.511 -0.743 . . . . 10.0 109.84 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.66 HG21 ' HA ' ' B' ' 39' ' ' THR . 2.7 t -81.26 -52.77 13.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.338 -0.851 . . . . 10.0 109.764 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.5 mm-40 -53.12 -45.15 68.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.363 -0.835 . . . . 10.0 110.276 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -64.89 -70.35 0.24 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 10.0 110.579 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.548 ' HB3' HG23 ' B' ' 35' ' ' VAL . 19.2 m-85 -53.19 -48.17 68.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.262 -0.899 . . . . 10.0 110.531 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.596 ' HA ' HG21 ' B' ' 35' ' ' VAL . 37.2 m -51.17 -48.4 61.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.045 -1.034 . . . . 10.0 109.934 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -65.08 -23.53 67.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.251 -0.906 . . . . 10.0 109.926 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' A' ' 41' ' ' LEU . 6.8 tp -72.77 -28.4 62.58 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.29 -0.881 . . . . 10.0 110.153 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.39 -21.37 65.61 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.16 -0.963 . . . . 10.0 110.1 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' ALA . 1.3 mt-10 -80.65 -16.39 54.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.259 -0.901 . . . . 10.0 110.33 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.505 ' O ' ' O ' ' A' ' 45' ' ' ARG . . . -41.73 -67.9 0.23 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.2 -0.938 . . . . 10.0 110.436 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.505 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -40.04 165.18 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.314 -0.554 . . . . 10.0 110.56 -178.699 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 45' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 118.01 -0.995 . . . . 10.0 110.244 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.697 ' CD2' ' SD ' ' B' ' 2' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.207 0.527 . . . . 10.0 110.185 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 2' ' ' MET . . . . . 0.697 ' SD ' ' CD2' ' B' ' 1' ' ' HIS . 0.0 OUTLIER -127.68 77.76 1.77 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.227 -0.92 . . . . 10.0 110.19 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' B' ' 2' ' ' MET . . . -42.52 137.76 3.12 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.628 -1.389 . . . . 10.0 109.628 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 1.015 ' CE1' HD11 ' B' ' 5' ' ' ILE . 2.2 t-160 -150.27 -40.46 0.13 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.213 -1.169 . . . . 10.0 110.05 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 1.015 HD11 ' CE1' ' B' ' 4' ' ' HIS . 15.7 mm -121.39 -165.45 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.519 -0.738 . . . . 10.0 109.742 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.967 ' OE1' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -99.7 -163.66 1.05 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.196 -0.94 . . . . 10.0 109.8 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.839 ' N ' ' CD ' ' B' ' 8' ' ' PRO . 1.9 mm -112.96 24.58 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 120.711 -1.243 . . . . 10.0 112.647 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.982 ' CG ' HD12 ' B' ' 11' ' ' LEU . 55.4 Cg_endo -81.79 129.02 6.15 Favored 'Trans proline' 0 C--N 1.3 -1.996 0 C-N-CA 121.493 1.462 . . . . 10.0 109.967 178.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -77.4 119.28 4.87 Favored 'Trans proline' 0 C--N 1.303 -1.866 0 O-C-N 123.8 1.421 . . . . 10.0 110.64 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.79 1.55 55.18 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.951 -1.26 . . . . 10.0 109.951 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.982 HD12 ' CG ' ' B' ' 8' ' ' PRO . 0.7 OUTLIER -73.39 -47.45 41.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.078 -1.248 . . . . 10.0 110.375 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.535 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 18.6 m -34.7 -62.77 0.34 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.371 -0.831 . . . . 10.0 110.295 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.2 tt0 -40.76 -50.15 3.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.517 -0.74 . . . . 10.0 110.291 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.522 HD21 HG22 ' A' ' 31' ' ' VAL . 2.5 mp -55.86 -69.39 0.14 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.336 -0.852 . . . . 10.0 110.429 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.682 HD13 HD21 ' B' ' 11' ' ' LEU . 0.8 OUTLIER -56.56 -58.36 8.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.18 -0.95 . . . . 10.0 110.349 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.7 tt0 -40.64 -44.25 2.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.195 -0.941 . . . . 10.0 109.906 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.492 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -52.31 -60.23 7.99 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.732 -1.747 . . . . 10.0 108.732 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.805 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.9 OUTLIER -39.23 -56.63 1.48 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.457 -1.026 . . . . 10.0 110.153 179.522 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.506 ' OG1' ' HA ' ' A' ' 5' ' ' ILE . 1.1 m -47.69 -39.33 17.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.473 -0.767 . . . . 10.0 110.283 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.82 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 93.2 t -77.64 -21.15 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 10.0 110.714 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.566 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -92.41 -51.54 5.09 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.836 -1.165 . . . . 10.0 109.971 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.907 HG12 ' OE1' ' A' ' 6' ' ' GLN . 3.3 t -60.04 -30.68 46.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.549 -0.719 . . . . 10.0 110.164 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' B LEU . . . . . 0.646 HD13 ' HA ' ' A' ' 6' ' ' GLN . 13.0 tp -87.57 -30.7 20.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.232 -0.918 . . . . 10.0 110.218 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.82 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -97.14 35.36 1.6 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.088 -1.007 . . . . 10.0 110.39 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.541 ' CG ' ' HD3' ' B' ' 27' ' ' PRO . 2.5 pt20 -175.26 -33.75 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.173 -0.954 . . . . 10.0 110.415 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.1 OUTLIER 40.9 79.9 0.3 Allowed Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.335 -0.853 . . . . 10.0 110.207 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.66 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 44.3 Cg_endo -70.41 170.67 16.78 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 O-C-N 124.026 1.54 . . . . 10.0 110.605 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.98 -24.32 28.82 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 O-C-N 123.994 1.523 . . . . 10.0 110.507 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -142.51 131.84 23.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.873 . . . . 10.0 110.208 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.568 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 0.4 OUTLIER -85.88 -67.84 0.78 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.272 -0.892 . . . . 10.0 110.23 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.539 ' C ' ' O ' ' B' ' 30' ' ' LEU . 13.9 t -34.25 -66.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.324 -0.86 . . . . 10.0 109.736 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -50.51 -43.75 55.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.582 -0.699 . . . . 10.0 109.562 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.66 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 0.8 OUTLIER -57.27 -63.03 1.36 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 10.0 108.986 178.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.805 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -44.66 -30.28 0.9 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.497 -0.752 . . . . 10.0 109.786 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.596 HG21 ' HA ' ' A' ' 39' ' ' THR . 2.7 t -81.07 -52.69 13.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.249 -0.907 . . . . 10.0 109.819 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 1.4 mm-40 -53.08 -45.57 68.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.855 . . . . 10.0 110.4 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -64.57 -70.23 0.24 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 10.0 110.564 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.561 ' HB3' HG23 ' A' ' 35' ' ' VAL . 19.6 m-85 -53.28 -48.04 68.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 10.0 110.546 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.66 ' HA ' HG21 ' A' ' 35' ' ' VAL . 40.1 m -51.04 -48.48 61.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.972 -1.08 . . . . 10.0 109.827 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -65.02 -23.61 67.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.364 -0.835 . . . . 10.0 110.019 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' B' ' 41' ' ' LEU . 6.8 tp -72.65 -28.07 62.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.347 -0.846 . . . . 10.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.504 ' HD3' ' OD2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -67.83 -21.37 65.2 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 10.0 110.081 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' B' ' 44' ' ' ALA . 1.3 mt-10 -80.41 -16.36 54.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.282 -0.886 . . . . 10.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.504 ' O ' ' O ' ' B' ' 45' ' ' ARG . . . -41.93 -68.12 0.21 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.219 -0.926 . . . . 10.0 110.394 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.504 ' O ' ' O ' ' B' ' 44' ' ' ALA . 0.2 OUTLIER -39.85 164.94 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 120.206 -0.598 . . . . 10.0 110.572 -178.695 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' B' ' 45' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.062 -0.97 . . . . 10.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 73.6 m80 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 121.171 0.51 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -147.96 -177.36 5.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.075 -1.015 . . . . 10.0 110.244 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.83 -75.32 0.1 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.349 -1.501 . . . . 10.0 109.349 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -143.94 31.5 1.27 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.273 -1.133 . . . . 10.0 109.953 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.406 HG23 HD12 ' A' ' 5' ' ' ILE . 41.9 mm -123.06 148.45 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 10.0 110.248 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' A' ' 7' ' ' ILE . 6.0 tt0 -142.19 -170.21 3.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.293 -0.879 . . . . 10.0 109.893 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.058 HD11 ' CD1' ' B' ' 23' B LEU . 0.3 OUTLIER -39.19 108.07 0.46 Allowed Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.262 -0.899 . . . . 10.0 109.926 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.598 ' HD2' HD13 ' A' ' 7' ' ' ILE . 48.6 Cg_endo -73.03 110.33 3.02 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 O-C-N 123.808 1.425 . . . . 10.0 110.805 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 49.7 Cg_endo -78.07 165.89 25.5 Favored 'Trans proline' 0 C--N 1.303 -1.841 0 O-C-N 124.078 1.567 . . . . 10.0 110.347 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.54 2.25 43.68 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.768 -1.333 . . . . 10.0 109.768 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 11' ' ' LEU . 6.6 tp -55.2 -41.96 72.65 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.181 -1.188 . . . . 10.0 110.083 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 11' ' ' LEU . 1.3 m -41.32 -26.73 0.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 10.0 110.09 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' LEU . 33.6 tp10 -68.32 -66.01 0.62 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.236 -0.915 . . . . 10.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 mt -44.77 -42.67 7.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.233 -0.917 . . . . 10.0 110.21 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.055 HD23 HD23 ' B' ' 15' ' ' LEU . 3.0 tm? -61.34 -71.82 0.13 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.209 -0.932 . . . . 10.0 110.221 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.725 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.3 mt-30 -38.36 -29.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.406 -0.809 . . . . 10.0 110.016 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.572 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -79.9 -43.23 10.11 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.315 -1.514 . . . . 10.0 109.315 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.744 ' HD2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -70.23 -40.7 74.33 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.141 -1.211 . . . . 10.0 109.766 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.512 ' O ' HD22 ' A' ' 23' A LEU . 1.9 m -66.77 -31.99 73.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.071 -1.018 . . . . 10.0 109.732 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 16' ' ' GLN . 17.7 t -69.12 -26.15 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.264 -0.898 . . . . 10.0 109.999 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.592 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -75.13 -31.05 60.98 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.224 -0.922 . . . . 10.0 109.284 179.353 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.892 HG11 HD13 ' A' ' 30' ' ' LEU . 1.6 t -76.49 -22.13 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.633 -0.667 . . . . 10.0 110.413 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' A LEU . . . . . 1.046 ' CD1' HD11 ' B' ' 7' ' ' ILE . 0.1 OUTLIER -89.82 -25.77 20.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.23 -0.919 . . . . 10.0 110.469 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.61 -14.85 41.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.897 . . . . 10.0 110.167 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' NE2' ' CE2' ' A' ' 33' ' ' PHE . 5.5 pt20 -126.58 -33.75 2.51 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.184 -0.947 . . . . 10.0 110.112 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 25' ' ' GLN . 1.2 mt-30 51.06 78.05 0.42 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.354 -0.841 . . . . 10.0 110.575 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.467 ' HG3' ' CG ' ' A' ' 33' ' ' PHE . 44.6 Cg_endo -70.29 166.72 27.33 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 O-C-N 123.958 1.504 . . . . 10.0 110.485 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.57 -5.19 15.5 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.994 1.523 . . . . 10.0 110.221 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.527 ' OD2' ' CB ' ' A' ' 32' ' ' ASP . 19.3 p-10 -165.66 126.57 1.88 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.823 . . . . 10.0 109.817 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.892 HD13 HG11 ' A' ' 22' ' ' VAL . 42.3 tp -79.04 -71.15 0.46 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.137 -0.977 . . . . 10.0 110.781 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 30' ' ' LEU . 18.4 t -21.35 -61.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 CA-C-O 121.698 0.761 . . . . 10.0 110.508 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.556 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -63.07 -50.8 69.15 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.62 -0.675 . . . . 10.0 110.021 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.695 ' CE1' HG22 ' A' ' 22' ' ' VAL . 35.4 t80 -55.87 -50.2 71.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.897 -1.127 . . . . 10.0 109.178 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.05 -30.52 2.74 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.386 -0.821 . . . . 10.0 109.506 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.685 HG13 ' OG1' ' A' ' 39' ' ' THR . 2.8 t -78.69 -51.65 16.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 O-C-N 121.478 -0.764 . . . . 10.0 109.566 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -46.41 -36.21 6.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.246 -0.909 . . . . 10.0 109.758 179.658 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.574 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 28.3 t80 -71.01 -66.12 0.65 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.925 . . . . 10.0 110.038 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.505 ' HB3' HG23 ' B' ' 35' ' ' VAL . 35.1 m-85 -60.77 -50.23 74.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.217 -0.927 . . . . 10.0 109.958 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.685 ' OG1' HG13 ' A' ' 35' ' ' VAL . 51.5 m -48.91 -40.22 29.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.297 -0.877 . . . . 10.0 109.783 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.484 ' HA ' ' OE1' ' A' ' 43' ' ' GLU . 3.1 ttp85 -83.05 -25.15 32.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.353 -0.842 . . . . 10.0 109.988 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.551 HD23 HG13 ' B' ' 31' ' ' VAL . 11.3 tp -50.5 -55.53 15.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 10.0 110.037 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.531 ' CG ' ' O ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -37.2 -40.37 0.32 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.259 -0.901 . . . . 10.0 109.615 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.722 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 1.5 mt-10 -89.48 -60.34 1.97 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.479 -0.763 . . . . 10.0 109.679 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 43' ' ' GLU . . . 67.77 -55.09 0.49 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.487 -0.758 . . . . 10.0 110.543 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.563 ' O ' ' C ' ' A' ' 46' ' ' ARG . 3.5 tmm_? -33.44 83.95 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.317 -178.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.674 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.823 0 CA-C-O 117.987 -1.006 . . . . 10.0 110.815 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 72.0 m80 . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 121.202 0.525 . . . . 10.0 110.077 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -147.44 -178.51 6.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.051 -1.031 . . . . 10.0 110.343 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.95 -75.19 0.1 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.337 -1.505 . . . . 10.0 109.337 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -143.87 31.48 1.28 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.232 -1.158 . . . . 10.0 110.023 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.407 HG23 HD12 ' B' ' 5' ' ' ILE . 41.8 mm -123.18 148.61 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.301 -0.875 . . . . 10.0 110.322 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' B' ' 7' ' ' ILE . 5.4 tt0 -142.37 -170.27 3.15 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.254 -0.904 . . . . 10.0 109.886 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 1.046 HD11 ' CD1' ' A' ' 23' A LEU . 0.3 OUTLIER -39.16 108.06 0.46 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.264 -0.897 . . . . 10.0 109.852 179.791 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.598 ' HD2' HD13 ' B' ' 7' ' ' ILE . 46.6 Cg_endo -72.97 110.31 3.01 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.802 1.422 . . . . 10.0 110.799 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' B' ' 7' ' ' ILE . 50.5 Cg_endo -78.1 165.73 25.65 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 123.997 1.525 . . . . 10.0 110.288 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.74 2.7 43.12 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.793 -1.323 . . . . 10.0 109.793 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.55 ' O ' HD12 ' B' ' 11' ' ' LEU . 6.2 tp -55.44 -42.09 73.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.114 -1.227 . . . . 10.0 110.009 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.428 ' C ' ' O ' ' B' ' 11' ' ' LEU . 1.3 m -40.95 -26.87 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.278 -0.889 . . . . 10.0 110.016 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' LEU . 33.2 tp10 -68.23 -65.9 0.64 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.261 -0.899 . . . . 10.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 13' ' ' GLU . 54.3 mt -44.86 -42.24 7.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 10.0 110.129 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 1.055 HD23 HD23 ' A' ' 15' ' ' LEU . 3.0 tm? -61.41 -71.83 0.14 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.249 -0.907 . . . . 10.0 110.181 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.719 ' O ' HG23 ' B' ' 20' ' ' VAL . 1.5 mt-30 -38.71 -28.74 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.423 -0.798 . . . . 10.0 110.024 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.569 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -80.07 -43.62 9.63 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.357 -1.497 . . . . 10.0 109.357 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.679 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.0 OUTLIER -70.32 -40.14 74.36 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.192 -1.181 . . . . 10.0 109.759 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.53 HG23 HD23 ' A' ' 11' ' ' LEU . 2.0 m -67.19 -32.15 73.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.124 -0.985 . . . . 10.0 109.643 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.719 HG23 ' O ' ' B' ' 16' ' ' GLN . 16.8 t -68.92 -26.38 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.358 -0.839 . . . . 10.0 110.075 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.591 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.7 OUTLIER -74.9 -31.32 61.54 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.168 -0.958 . . . . 10.0 109.236 179.397 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.899 HG11 HD13 ' B' ' 30' ' ' LEU . 1.6 t -76.33 -21.92 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.591 -0.693 . . . . 10.0 110.413 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' B LEU . . . . . 1.058 ' CD1' HD11 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -89.92 -25.96 20.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.13 -0.981 . . . . 10.0 110.401 -179.761 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -14.92 41.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.107 -0.995 . . . . 10.0 110.181 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.489 ' NE2' ' CE2' ' B' ' 33' ' ' PHE . 5.5 pt20 -126.4 -33.73 2.55 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.205 -0.934 . . . . 10.0 110.123 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' B' ' 25' ' ' GLN . 1.2 mt-30 50.95 78.2 0.41 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.39 -0.819 . . . . 10.0 110.524 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.473 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 44.0 Cg_endo -70.41 166.55 28.04 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 O-C-N 123.891 1.469 . . . . 10.0 110.445 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.62 -4.93 14.92 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 124.039 1.547 . . . . 10.0 110.282 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.528 ' OD2' ' CB ' ' B' ' 32' ' ' ASP . 19.4 p-10 -165.7 126.03 1.8 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.468 -0.77 . . . . 10.0 109.795 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.899 HD13 HG11 ' B' ' 22' ' ' VAL . 41.1 tp -78.6 -71.18 0.45 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 10.0 110.673 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.601 ' C ' ' O ' ' B' ' 30' ' ' LEU . 18.1 t -21.37 -61.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.561 -0.712 . . . . 10.0 110.457 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.556 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 0.6 OUTLIER -63.08 -50.69 69.58 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.75 -0.594 . . . . 10.0 110.061 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.697 ' CE1' HG22 ' B' ' 22' ' ' VAL . 35.4 t80 -55.98 -50.17 71.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.965 -1.084 . . . . 10.0 109.2 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.11 -30.41 2.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.394 -0.816 . . . . 10.0 109.506 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.687 HG13 ' OG1' ' B' ' 39' ' ' THR . 3.0 t -78.89 -51.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 O-C-N 121.33 -0.856 . . . . 10.0 109.69 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -46.43 -36.02 6.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 10.0 109.734 179.624 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.575 ' CD1' ' OE2' ' B' ' 21' ' ' GLU . 29.1 t80 -71.21 -66.24 0.64 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.328 -0.857 . . . . 10.0 110.073 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.53 ' HB3' HG23 ' A' ' 35' ' ' VAL . 34.4 m-85 -60.69 -50.47 73.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.272 -0.892 . . . . 10.0 109.874 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.687 ' OG1' HG13 ' B' ' 35' ' ' VAL . 56.1 m -48.87 -39.7 26.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.275 -0.891 . . . . 10.0 109.892 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.471 ' HA ' ' OE1' ' B' ' 43' ' ' GLU . 3.3 ttp85 -83.31 -25.42 31.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.33 -0.856 . . . . 10.0 109.836 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.567 HD23 HG13 ' A' ' 31' ' ' VAL . 11.1 tp -49.94 -55.83 13.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.297 -0.877 . . . . 10.0 109.986 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.525 ' C ' ' O ' ' B' ' 41' ' ' LEU . 0.0 OUTLIER -37.28 -39.86 0.3 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.356 -0.84 . . . . 10.0 109.579 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.724 ' O ' ' HB3' ' B' ' 44' ' ' ALA . 1.4 mt-10 -89.99 -60.43 1.94 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.466 -0.771 . . . . 10.0 109.726 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' B' ' 43' ' ' GLU . . . 67.72 -55.16 0.49 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.366 -0.834 . . . . 10.0 110.552 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.562 ' O ' ' C ' ' B' ' 46' ' ' ARG . 3.5 tmm_? -33.35 83.99 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.145 0.498 . . . . 10.0 111.374 -178.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.674 ' N ' ' O ' ' B' ' 44' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 117.925 -1.036 . . . . 10.0 110.799 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 51.6 m170 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.258 0.552 . . . . 10.0 110.261 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.9 mmm -107.85 57.93 0.62 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.227 -0.921 . . . . 10.0 110.222 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.08 123.4 6.83 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.584 -1.406 . . . . 10.0 109.584 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -113.65 -145.11 0.39 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.232 -1.158 . . . . 10.0 110.13 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.692 ' O ' ' CG2' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -136.05 107.71 7.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.159 -0.963 . . . . 10.0 110.029 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 1.8 tt0 179.82 146.61 0.23 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.2 -0.938 . . . . 10.0 109.904 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.952 ' O ' HD12 ' A' ' 7' ' ' ILE . 1.8 pp -37.71 131.37 0.88 Allowed Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.306 -0.871 . . . . 10.0 110.216 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.755 ' O ' HD12 ' A' ' 11' ' ' LEU . 49.0 Cg_endo -75.38 111.23 3.26 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 O-C-N 123.951 1.501 . . . . 10.0 110.943 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 46.2 Cg_endo -73.81 -177.54 3.21 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 O-C-N 123.971 1.511 . . . . 10.0 110.317 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . 75.42 11.14 84.47 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.696 -1.362 . . . . 10.0 109.696 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -74.73 -26.06 59.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.277 -1.131 . . . . 10.0 110.156 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 13' ' ' GLU . 1.8 m -61.71 -66.31 0.56 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 10.0 110.35 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.7 pt-20 -35.2 -48.85 0.46 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.591 -0.693 . . . . 10.0 110.691 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.728 HD12 HD23 ' B' ' 30' ' ' LEU . 1.0 OUTLIER -55.71 -62.42 1.7 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.202 -0.936 . . . . 10.0 110.126 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' GLN . 11.9 mt -64.74 -56.63 12.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 10.0 110.155 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.8 tt0 -42.27 -57.98 2.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.224 -0.922 . . . . 10.0 109.829 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -46.41 -50.41 13.64 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.753 -1.739 . . . . 10.0 108.753 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.617 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.6 OUTLIER -41.96 -63.07 0.79 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.338 -1.095 . . . . 10.0 109.946 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -47.24 -24.84 0.8 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.429 -0.795 . . . . 10.0 110.128 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' GLY . 16.4 t -89.66 -33.8 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.243 -0.91 . . . . 10.0 110.438 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.617 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.82 -44.41 55.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.097 -1.002 . . . . 10.0 108.897 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' A' ' 26' ' ' GLN . 16.8 t -63.36 -52.64 55.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.878 -0.514 . . . . 10.0 110.026 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' A LEU . . . . . 0.549 ' HB2' ' O ' ' A' ' 19' ' ' THR . 2.1 tp -55.62 -27.05 47.49 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.222 -0.923 . . . . 10.0 109.933 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -65.95 -13.43 59.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.373 -0.829 . . . . 10.0 110.239 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.566 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -158.55 14.44 0.19 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.201 -0.937 . . . . 10.0 110.741 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.566 ' C ' ' O ' ' A' ' 25' ' ' GLN . 49.2 mt-30 26.24 55.9 0.4 Allowed Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.389 -0.819 . . . . 10.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.491 ' HD3' ' HG3' ' A' ' 25' ' ' GLN . 44.3 Cg_endo -70.93 119.56 6.4 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 O-C-N 123.882 1.464 . . . . 10.0 110.784 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -70.19 -0.95 8.03 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 O-C-N 123.979 1.515 . . . . 10.0 110.274 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.537 ' O ' ' C ' ' A' ' 30' ' ' LEU . 2.0 m-20 -100.46 27.93 5.41 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.299 -0.876 . . . . 10.0 110.254 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.67 HD23 HD12 ' B' ' 14' ' ' LEU . 2.1 tp -29.91 -61.72 0.15 Allowed 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.028 0.442 . . . . 10.0 110.333 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.449 ' H ' HG23 ' A' ' 31' ' ' VAL . 16.6 t -41.29 -67.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.275 -0.89 . . . . 10.0 109.18 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.523 ' OD1' ' NH1' ' B' ' 42' ' ' ARG . 6.6 t0 -49.27 -48.63 45.77 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.472 ' HD1' ' C ' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -49.45 -58.9 4.3 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.634 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.589 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -40.66 -51.86 2.97 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.923 -0.711 . . . . 10.0 109.607 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.656 ' O ' ' HB ' ' A' ' 39' ' ' THR . 4.1 t -65.37 -56.23 16.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.291 -0.881 . . . . 10.0 109.791 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -39.73 -58.34 1.36 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.333 -0.854 . . . . 10.0 110.507 179.73 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.433 ' CE1' ' CD2' ' A' ' 41' ' ' LEU . 7.5 t80 -63.57 -76.96 0.06 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.29 -0.881 . . . . 10.0 110.527 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 17.9 m-85 -41.95 -60.57 1.36 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.294 -0.878 . . . . 10.0 110.768 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.656 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 17.1 m -39.91 -49.05 2.41 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.11 -0.994 . . . . 10.0 109.756 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -39.82 68.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 10.0 109.336 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.513 ' HA ' HD12 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -69.13 -22.17 63.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.5 -0.75 . . . . 10.0 109.577 179.439 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.474 ' HD3' ' CG ' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -71.62 -29.43 64.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.321 -0.862 . . . . 10.0 109.594 179.458 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 44' ' ' ALA . 24.3 mm-40 -70.88 -15.61 62.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.434 -0.791 . . . . 10.0 110.052 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.644 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -42.02 -79.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.335 -0.853 . . . . 10.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.644 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.7 OUTLIER 14.49 94.71 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.18 0.514 . . . . 10.0 110.681 -179.066 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.489 ' NH2' ' HG3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 117.988 -1.006 . . . . 10.0 109.72 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 50.7 m170 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.25 0.548 . . . . 10.0 110.207 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 8.8 mmm -107.61 57.55 0.63 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 10.0 110.224 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.84 123.88 7.02 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.545 -1.422 . . . . 10.0 109.545 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -113.94 -145.09 0.39 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.213 -1.169 . . . . 10.0 110.119 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.693 ' O ' ' CG2' ' B' ' 5' ' ' ILE . 0.4 OUTLIER -136.14 107.58 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.201 -0.937 . . . . 10.0 110.012 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' B' ' 5' ' ' ILE . 1.8 tt0 179.66 146.77 0.22 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.264 -0.897 . . . . 10.0 109.863 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.96 ' O ' HD12 ' B' ' 7' ' ' ILE . 1.8 pp -37.59 131.16 0.86 Allowed Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.361 -0.837 . . . . 10.0 110.275 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.74 ' O ' HD12 ' B' ' 11' ' ' LEU . 48.6 Cg_endo -75.45 111.21 3.25 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 123.956 1.503 . . . . 10.0 110.856 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' B' ' 7' ' ' ILE . 46.7 Cg_endo -73.84 -177.72 3.33 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 O-C-N 123.971 1.511 . . . . 10.0 110.202 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.487 ' O ' ' HG2' ' B' ' 13' ' ' GLU . . . 75.66 11.22 84.62 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.594 -1.402 . . . . 10.0 109.594 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.74 HD12 ' O ' ' B' ' 8' ' ' PRO . 0.1 OUTLIER -74.82 -26.49 59.75 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -1.133 . . . . 10.0 110.128 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.496 ' O ' ' C ' ' B' ' 13' ' ' GLU . 1.8 m -61.67 -65.91 0.62 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.377 -0.827 . . . . 10.0 110.424 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' B' ' 12' ' ' THR . 4.7 pt-20 -35.64 -47.99 0.5 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.601 -0.687 . . . . 10.0 110.577 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.67 HD12 HD23 ' A' ' 30' ' ' LEU . 1.1 mt -56.67 -61.7 2.24 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.099 -1.001 . . . . 10.0 110.137 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' B' ' 16' ' ' GLN . 11.7 mt -65.35 -56.68 11.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.22 -0.925 . . . . 10.0 110.081 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' B' ' 15' ' ' LEU . 1.7 tt0 -42.08 -57.8 2.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 10.0 109.862 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -46.55 -50.16 14.55 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 108.854 -1.698 . . . . 10.0 108.854 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.614 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.6 OUTLIER -42.29 -62.94 0.84 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.464 -1.021 . . . . 10.0 109.869 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -47.19 -24.82 0.77 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.375 -0.828 . . . . 10.0 110.229 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' B' ' 17' ' ' GLY . 16.9 t -89.85 -34.23 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.157 -0.964 . . . . 10.0 110.546 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.614 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.5 OUTLIER -73.26 -44.09 59.95 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.184 -0.948 . . . . 10.0 108.876 179.525 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' B' ' 26' ' ' GLN . 19.0 t -63.75 -52.88 51.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.899 -0.5 . . . . 10.0 110.102 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' B LEU . . . . . 0.543 ' HB2' ' O ' ' B' ' 19' ' ' THR . 2.0 tp -55.39 -26.33 40.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.26 -0.9 . . . . 10.0 109.975 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -66.61 -13.2 60.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.298 -0.876 . . . . 10.0 110.265 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.57 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -158.87 14.66 0.17 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.214 -0.929 . . . . 10.0 110.819 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.57 ' C ' ' O ' ' B' ' 25' ' ' GLN . 48.1 mt-30 25.71 56.19 0.38 Allowed Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.391 -0.818 . . . . 10.0 110.86 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.493 ' HD3' ' HG3' ' B' ' 25' ' ' GLN . 45.3 Cg_endo -71.1 119.65 6.45 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 O-C-N 124.026 1.54 . . . . 10.0 110.73 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -70.05 -1.17 8.27 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 123.921 1.485 . . . . 10.0 110.353 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.537 ' O ' ' C ' ' B' ' 30' ' ' LEU . 1.9 m-20 -100.39 27.77 5.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.406 -0.809 . . . . 10.0 110.224 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.728 HD23 HD12 ' A' ' 14' ' ' LEU . 2.2 tp -29.73 -61.55 0.15 Allowed 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.148 0.499 . . . . 10.0 110.333 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' B' ' 30' ' ' LEU . 17.3 t -41.25 -67.75 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.25 -0.907 . . . . 10.0 109.237 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.474 ' CG ' ' HD3' ' A' ' 42' ' ' ARG . 6.7 t0 -49.26 -48.5 45.77 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 109.218 -0.66 . . . . 10.0 109.218 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.479 ' C ' ' HD1' ' B' ' 33' ' ' PHE . 0.5 OUTLIER -49.63 -58.66 4.84 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.601 -0.889 . . . . 10.0 108.601 178.697 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.579 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -40.67 -51.76 2.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.402 -0.811 . . . . 10.0 109.645 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.661 ' O ' ' HB ' ' B' ' 39' ' ' THR . 3.9 t -65.58 -56.42 15.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.135 -0.978 . . . . 10.0 109.679 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 35' ' ' VAL . 0.8 OUTLIER -39.67 -58.09 1.39 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.415 -0.803 . . . . 10.0 110.406 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.431 ' CE1' ' CD2' ' B' ' 41' ' ' LEU . 7.5 t80 -63.93 -76.84 0.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -0.889 . . . . 10.0 110.557 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.548 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 17.4 m-85 -42.0 -60.57 1.37 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.295 -0.878 . . . . 10.0 110.652 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.661 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 16.7 m -40.18 -48.44 2.55 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.075 -1.016 . . . . 10.0 109.779 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -39.41 69.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 10.0 109.385 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.516 ' HA ' HD12 ' B' ' 41' ' ' LEU . 0.0 OUTLIER -69.52 -22.36 63.59 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.57 -0.706 . . . . 10.0 109.585 179.416 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.523 ' NH1' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -71.49 -29.31 64.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 10.0 109.431 179.512 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' B' ' 44' ' ' ALA . 26.0 mm-40 -70.88 -15.7 62.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.389 -0.819 . . . . 10.0 110.02 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.639 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -42.06 -79.44 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.293 -0.879 . . . . 10.0 110.33 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.639 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.8 OUTLIER 15.1 94.55 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.203 0.525 . . . . 10.0 110.736 -179.175 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' B' ' 46' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 117.933 -1.032 . . . . 10.0 109.846 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.4 m80 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.231 0.539 . . . . 10.0 110.103 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.43 88.36 6.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.179 -0.951 . . . . 10.0 110.154 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -177.8 137.7 3.5 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.365 -1.494 . . . . 10.0 109.365 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.456 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 7.1 p-80 -154.93 34.3 0.39 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.199 -1.177 . . . . 10.0 110.344 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tt -116.63 -176.18 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.881 . . . . 10.0 110.254 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.579 ' O ' ' C ' ' A' ' 7' ' ' ILE . 7.9 mt-30 -116.65 -146.73 0.4 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.285 -0.884 . . . . 10.0 110.167 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.579 ' C ' ' O ' ' A' ' 6' ' ' GLN . 3.2 mm -24.59 137.48 0.06 OUTLIER Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.782 -0.574 . . . . 10.0 110.578 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.621 ' HB2' ' HB2' ' A' ' 11' ' ' LEU . 43.7 Cg_endo -69.35 174.84 8.57 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 O-C-N 123.971 1.511 . . . . 10.0 110.881 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.784 ' C ' ' H ' ' A' ' 11' ' ' LEU . 41.7 Cg_endo -66.81 -151.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.718 0 O-C-N 123.98 1.516 . . . . 10.0 110.953 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -53.72 15.57 0.01 OUTLIER Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.45 -1.46 . . . . 10.0 109.45 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.784 ' H ' ' C ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -35.79 -55.38 0.72 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.455 -1.027 . . . . 10.0 110.276 179.71 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 13' ' ' GLU . 24.5 m -68.34 -68.7 0.37 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.269 -0.895 . . . . 10.0 110.117 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.5 mt-10 -36.91 -46.81 0.66 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.587 -0.696 . . . . 10.0 110.344 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.427 HD22 HD23 ' A' ' 41' ' ' LEU . 34.4 mt -62.67 -56.38 18.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 10.0 110.095 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.042 HD11 ' CD2' ' B' ' 15' ' ' LEU . 0.1 OUTLIER -45.53 -71.52 0.07 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.314 -0.866 . . . . 10.0 110.163 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.872 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.2 mp0 -42.11 -46.02 4.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.898 . . . . 10.0 109.964 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -57.77 -46.18 92.59 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.467 -1.453 . . . . 10.0 109.467 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -72.47 -45.39 59.73 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.047 -1.266 . . . . 10.0 109.481 179.684 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.41 -30.86 67.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -0.906 . . . . 10.0 109.583 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 16' ' ' GLN . 76.4 t -72.48 -29.6 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 10.0 109.983 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.712 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.5 mt-10 -72.86 -27.65 62.04 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 119.481 -0.888 . . . . 10.0 109.205 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.7 t -74.22 -35.03 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.719 -0.613 . . . . 10.0 109.894 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' A LEU . . . . . . . . . . . . . 80.9 mt -84.13 -18.13 37.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.881 . . . . 10.0 109.877 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -92.14 -66.54 0.92 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.403 -0.81 . . . . 10.0 110.18 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' OE1' ' CZ ' ' A' ' 33' ' ' PHE . 3.0 pt20 -81.07 -22.17 39.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 10.0 110.205 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 25' ' ' GLN . 1.8 mm-40 41.09 81.88 0.24 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.361 -0.837 . . . . 10.0 110.016 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.628 ' HG3' ' CG ' ' A' ' 33' ' ' PHE . 44.0 Cg_endo -69.9 171.96 13.65 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 O-C-N 123.937 1.493 . . . . 10.0 110.619 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.5 -45.09 1.87 Allowed 'Trans proline' 0 C--N 1.304 -1.803 0 O-C-N 124.107 1.582 . . . . 10.0 110.53 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -128.77 124.45 35.52 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 10.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.567 HD22 ' HB2' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -69.99 -67.78 0.46 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.268 -0.895 . . . . 10.0 110.176 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.566 ' C ' ' O ' ' A' ' 30' ' ' LEU . 6.5 t -27.28 -61.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.751 . . . . 10.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.61 -47.44 83.78 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.522 -0.736 . . . . 10.0 109.93 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.628 ' CG ' ' HG3' ' A' ' 27' ' ' PRO . 69.4 t80 -60.29 -55.31 35.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.231 -0.918 . . . . 10.0 109.484 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.567 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -55.4 -25.61 36.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.296 -0.878 . . . . 10.0 109.688 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.563 HG22 ' N ' ' B' ' 39' ' ' THR . 2.2 t -83.96 -46.64 18.09 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 O-C-N 121.319 -0.863 . . . . 10.0 109.692 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -58.63 -42.11 87.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -0.818 . . . . 10.0 109.804 179.673 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 55.5 t80 -65.11 -67.75 0.41 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.881 . . . . 10.0 109.926 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.433 ' C ' ' CG2' ' B' ' 35' ' ' VAL . 7.2 m-85 -49.31 -47.13 47.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.261 -0.9 . . . . 10.0 110.206 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.571 ' N ' HG22 ' B' ' 35' ' ' VAL . 3.3 m -55.16 -38.99 68.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.189 -0.944 . . . . 10.0 110.059 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -65.79 -34.96 79.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.942 . . . . 10.0 109.993 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.427 HD23 HD22 ' A' ' 14' ' ' LEU . 9.9 mp -65.26 -42.16 93.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.298 -0.876 . . . . 10.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -66.98 -25.15 66.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 10.0 109.822 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 1.2 tp10 -95.59 -10.24 30.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.367 -0.833 . . . . 10.0 109.635 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.672 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -81.29 -74.29 0.34 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.412 -0.805 . . . . 10.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.672 ' C ' ' O ' ' A' ' 44' ' ' ALA . 13.2 tpp180 -8.35 88.45 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 121.438 0.637 . . . . 10.0 111.306 -178.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.5 ptt180 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 118.037 -0.982 . . . . 10.0 110.196 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 33.9 m80 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.143 0.497 . . . . 10.0 110.304 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.7 88.7 7.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.247 -0.908 . . . . 10.0 110.199 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.49 137.09 3.14 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.27 -1.532 . . . . 10.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.465 ' ND1' ' N ' ' B' ' 4' ' ' HIS . 6.5 p-80 -154.32 35.44 0.42 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.12 -1.224 . . . . 10.0 110.26 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tt -117.46 -176.02 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.245 -0.909 . . . . 10.0 110.235 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.586 ' O ' ' C ' ' B' ' 7' ' ' ILE . 7.4 mt-30 -116.94 -146.62 0.4 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -0.896 . . . . 10.0 110.173 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.586 ' C ' ' O ' ' B' ' 6' ' ' GLN . 3.1 mm -24.29 137.14 0.06 OUTLIER Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 121.831 -0.543 . . . . 10.0 110.663 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.629 ' HB2' ' HB2' ' B' ' 11' ' ' LEU . 44.0 Cg_endo -69.39 174.91 8.5 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 O-C-N 123.961 1.506 . . . . 10.0 110.867 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.788 ' C ' ' H ' ' B' ' 11' ' ' LEU . 41.9 Cg_endo -66.93 -151.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 O-C-N 124.028 1.541 . . . . 10.0 110.992 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' B' ' 11' ' ' LEU . . . -53.6 15.16 0.01 OUTLIER Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.433 -1.467 . . . . 10.0 109.433 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.788 ' H ' ' C ' ' B' ' 9' ' ' PRO . 0.3 OUTLIER -35.89 -55.12 0.75 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.483 -1.01 . . . . 10.0 110.195 179.677 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.48 ' O ' ' C ' ' B' ' 13' ' ' GLU . 24.8 m -68.76 -68.27 0.41 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.173 -0.955 . . . . 10.0 110.156 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.4 mt-10 -37.6 -47.24 0.92 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.546 -0.721 . . . . 10.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.443 HD22 HD23 ' B' ' 41' ' ' LEU . 35.7 mt -62.29 -56.48 18.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.325 -0.859 . . . . 10.0 110.1 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 1.042 ' CD2' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -45.13 -71.84 0.07 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 10.0 110.118 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.876 ' O ' HG23 ' B' ' 20' ' ' VAL . 3.1 mp0 -42.09 -45.86 4.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.295 -0.878 . . . . 10.0 109.998 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -57.58 -46.26 92.27 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.407 -1.477 . . . . 10.0 109.407 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.732 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -72.25 -45.54 59.74 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.188 -1.183 . . . . 10.0 109.617 179.595 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -30.87 67.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.301 -0.874 . . . . 10.0 109.572 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.876 HG23 ' O ' ' B' ' 16' ' ' GLN . 75.1 t -72.37 -29.81 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 10.0 109.916 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.721 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.5 mt-10 -72.6 -27.66 62.31 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.176 -0.953 . . . . 10.0 109.197 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.7 t -74.12 -35.24 40.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.629 -0.669 . . . . 10.0 109.995 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' B LEU . . . . . . . . . . . . . 81.0 mt -83.99 -17.78 39.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.277 -0.889 . . . . 10.0 109.916 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -92.61 -66.56 0.92 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.33 -0.857 . . . . 10.0 110.123 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.9 pt20 -80.97 -22.08 39.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.869 . . . . 10.0 110.208 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' B' ' 25' ' ' GLN . 1.9 mm-40 40.81 82.03 0.23 Allowed Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.271 -0.893 . . . . 10.0 110.012 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.63 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 44.0 Cg_endo -69.9 172.02 13.54 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 O-C-N 124.066 1.561 . . . . 10.0 110.685 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.53 -44.57 2.15 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 O-C-N 124.07 1.563 . . . . 10.0 110.501 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.42 125.15 35.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.24 -0.913 . . . . 10.0 110.1 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.569 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.2 OUTLIER -70.45 -68.16 0.45 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.904 . . . . 10.0 110.199 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.569 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.3 t -26.95 -61.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.576 -0.702 . . . . 10.0 110.313 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.52 -47.71 82.73 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.637 -0.664 . . . . 10.0 109.939 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.63 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 69.5 t80 -60.07 -55.29 35.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.218 -0.926 . . . . 10.0 109.553 179.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.557 ' HB2' HD22 ' B' ' 30' ' ' LEU . . . -55.46 -25.8 38.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.316 -0.865 . . . . 10.0 109.69 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.571 HG22 ' N ' ' A' ' 39' ' ' THR . 2.2 t -83.46 -46.82 18.42 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 O-C-N 121.431 -0.793 . . . . 10.0 109.584 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' B' ' 37' ' ' TYR . 0.5 OUTLIER -58.71 -42.36 88.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 10.0 109.896 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.481 ' N ' ' CG ' ' B' ' 36' ' ' GLU . 54.1 t80 -64.7 -68.08 0.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 10.0 109.966 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.407 ' C ' ' CG2' ' A' ' 35' ' ' VAL . 7.9 m-85 -49.26 -46.79 46.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.275 -0.891 . . . . 10.0 110.212 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.563 ' N ' HG22 ' A' ' 35' ' ' VAL . 3.3 m -55.22 -38.54 68.57 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 10.0 110.068 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.0 ttt-85 -66.5 -35.49 80.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.326 -0.859 . . . . 10.0 109.949 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.443 HD23 HD22 ' B' ' 14' ' ' LEU . 10.0 mp -64.61 -42.56 95.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.909 . . . . 10.0 110.124 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -66.65 -25.39 66.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.919 . . . . 10.0 109.863 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' B' ' 42' ' ' ARG . 1.2 tp10 -95.28 -10.65 29.65 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.374 -0.828 . . . . 10.0 109.649 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.672 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -81.07 -74.07 0.34 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 10.0 110.465 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.672 ' C ' ' O ' ' B' ' 44' ' ' ALA . 13.2 tpp180 -8.52 89.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.393 0.616 . . . . 10.0 111.268 -178.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' B' ' 44' ' ' ALA . 4.4 ptt180 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.044 -0.979 . . . . 10.0 110.237 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.08 0.467 . . . . 10.0 110.137 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -131.14 114.04 14.64 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.082 -1.011 . . . . 10.0 110.154 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.79 -144.0 8.99 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.53 -1.428 . . . . 10.0 109.53 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.495 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 11.8 p-80 -156.54 144.46 19.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.254 -1.145 . . . . 10.0 110.152 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.463 HG23 HD13 ' A' ' 7' ' ' ILE . 1.3 tp -137.44 171.75 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 10.0 110.159 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.425 ' N ' HG23 ' A' ' 5' ' ' ILE . 2.0 tt0 -148.42 67.26 1.07 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.197 -0.939 . . . . 10.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.479 ' CD1' ' N ' ' A' ' 7' ' ' ILE . 1.2 mp -81.96 134.01 50.56 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.137 -0.977 . . . . 10.0 110.031 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HG2' ' HG ' ' A' ' 11' ' ' LEU . 45.1 Cg_endo -71.07 162.61 42.07 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 O-C-N 123.932 1.491 . . . . 10.0 110.728 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -74.24 160.47 42.27 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 O-C-N 124.083 1.57 . . . . 10.0 110.451 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.75 -36.3 3.28 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.581 -1.407 . . . . 10.0 109.581 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.7 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -77.52 -36.87 52.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.225 -1.162 . . . . 10.0 110.04 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 16.3 m -41.93 -74.72 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.279 -0.888 . . . . 10.0 110.06 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.1 tt0 -35.45 -51.87 0.63 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.634 -0.666 . . . . 10.0 110.274 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' A' ' 14' ' ' LEU . 9.2 mt -67.25 -64.74 0.79 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.154 -0.966 . . . . 10.0 110.038 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 18' ' ' TYR . 22.5 mt -50.95 -57.21 9.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 10.0 110.032 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 12' ' ' THR . 2.7 tt0 -43.9 -57.44 3.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.185 -0.947 . . . . 10.0 109.763 179.73 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.532 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -48.28 -48.42 26.8 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 108.705 -1.758 . . . . 10.0 108.705 179.499 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.721 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -39.13 -61.13 0.8 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.498 -1.001 . . . . 10.0 110.129 179.457 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -50.87 -45.24 59.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.365 -0.834 . . . . 10.0 109.726 179.921 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.549 ' N ' HG22 ' A' ' 19' ' ' THR . 6.5 t -60.97 -27.4 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 10.0 110.304 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -87.4 -56.23 3.45 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.307 -0.871 . . . . 10.0 109.859 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 18' ' ' TYR . 2.7 t -57.31 -20.22 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.692 -0.63 . . . . 10.0 110.468 -179.641 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' A LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 19' ' ' THR . 6.2 mp -85.78 -46.56 10.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.089 -1.007 . . . . 10.0 109.837 179.566 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -54.33 18.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.348 -0.845 . . . . 10.0 110.102 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 26' ' ' GLN . 9.4 mm-40 -77.93 -28.45 49.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 10.0 110.281 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 2.0 tt0 38.12 70.61 1.22 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.38 -0.825 . . . . 10.0 110.315 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.598 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 43.7 Cg_endo -69.68 164.5 34.22 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 O-C-N 124.044 1.549 . . . . 10.0 110.507 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.41 -38.9 7.89 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 O-C-N 123.994 1.523 . . . . 10.0 110.269 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -127.8 148.17 50.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.376 -0.828 . . . . 10.0 109.895 179.726 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.713 ' HG ' HD22 ' B' ' 11' ' ' LEU . 0.4 OUTLIER -89.88 -56.18 3.34 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.23 -0.919 . . . . 10.0 110.149 -179.658 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 30' ' ' LEU . 16.7 t -34.56 -59.5 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.421 -0.8 . . . . 10.0 109.894 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.415 ' HA ' HH11 ' B' ' 42' ' ' ARG . 3.5 t0 -59.47 -48.59 81.05 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.785 -0.572 . . . . 10.0 110.144 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CD1' ' HG3' ' A' ' 27' ' ' PRO . 66.2 t80 -55.89 -33.67 64.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.123 -0.986 . . . . 10.0 109.505 179.534 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.693 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -64.99 -50.38 66.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.39 -0.819 . . . . 10.0 109.789 179.641 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.876 ' O ' ' HB ' ' A' ' 39' ' ' THR . 40.2 t -62.31 -38.25 80.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.408 -0.807 . . . . 10.0 110.644 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -38.19 83.68 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.04 -1.038 . . . . 10.0 110.762 -179.453 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 77.2 t80 -73.05 -70.57 0.35 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.104 -0.998 . . . . 10.0 110.688 -179.534 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.672 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 17.7 m-85 -51.61 -61.42 2.26 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.278 -0.889 . . . . 10.0 110.666 -179.495 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.876 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 8.2 m -41.34 -59.65 1.49 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.11 -0.994 . . . . 10.0 109.816 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -54.15 -27.82 36.06 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.39 -0.819 . . . . 10.0 109.807 179.709 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.5 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -70.06 -53.69 16.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.277 -0.89 . . . . 10.0 109.711 179.747 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -57.44 -42.98 83.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.292 -0.88 . . . . 10.0 109.996 179.591 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.642 ' O ' ' C ' ' A' ' 44' ' ' ALA . 43.7 mm-40 -100.78 12.48 37.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.502 -0.749 . . . . 10.0 110.58 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.642 ' C ' ' O ' ' A' ' 43' ' ' GLU . . . -20.5 -65.76 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 121.756 0.789 . . . . 10.0 110.753 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -38.83 158.77 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.244 0.545 . . . . 10.0 110.545 -179.201 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 118.004 -0.998 . . . . 10.0 110.238 -179.867 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.148 0.499 . . . . 10.0 110.168 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -131.39 114.32 14.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.083 -1.01 . . . . 10.0 110.172 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.4 -143.15 8.3 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.553 -1.419 . . . . 10.0 109.553 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.479 ' N ' ' ND1' ' B' ' 4' ' ' HIS . 12.7 p-80 -157.5 144.4 18.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -1.142 . . . . 10.0 110.134 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.47 HG23 HD13 ' B' ' 7' ' ' ILE . 1.3 tp -137.54 171.55 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.313 -0.867 . . . . 10.0 110.124 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.426 ' N ' HG23 ' B' ' 5' ' ' ILE . 2.0 tt0 -148.28 67.81 1.09 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.275 -0.891 . . . . 10.0 110.227 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.477 ' CD1' ' N ' ' B' ' 7' ' ' ILE . 1.2 mp -82.27 134.03 49.53 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.17 -0.956 . . . . 10.0 110.042 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.445 ' HG2' ' HG ' ' B' ' 11' ' ' LEU . 46.5 Cg_endo -70.96 162.52 42.4 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.044 1.549 . . . . 10.0 110.781 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -74.19 160.35 42.6 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 O-C-N 124.036 1.545 . . . . 10.0 110.46 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.76 -36.02 3.31 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.665 -1.374 . . . . 10.0 109.665 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.722 HD23 ' N ' ' B' ' 11' ' ' LEU . 0.7 OUTLIER -77.7 -37.08 50.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.131 -1.217 . . . . 10.0 110.057 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 16.3 m -41.41 -75.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.287 -0.883 . . . . 10.0 110.083 179.896 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' B' ' 12' ' ' THR . 14.0 tt0 -35.54 -51.79 0.64 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.585 -0.697 . . . . 10.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' B' ' 14' ' ' LEU . 9.2 mt -67.08 -64.6 0.82 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.257 -0.902 . . . . 10.0 110.039 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLN . 22.7 mt -51.29 -57.37 9.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.306 -0.871 . . . . 10.0 110.111 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.7 tt0 -43.68 -57.25 3.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.18 -0.95 . . . . 10.0 109.749 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -48.17 -49.07 25.45 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.769 -1.732 . . . . 10.0 108.769 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.735 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.4 OUTLIER -38.91 -60.98 0.79 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.487 -1.008 . . . . 10.0 110.139 179.572 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -50.77 -45.41 59.02 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.25 -0.906 . . . . 10.0 109.769 179.778 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.553 ' N ' HG22 ' B' ' 19' ' ' THR . 6.4 t -61.09 -27.04 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.281 -0.887 . . . . 10.0 110.315 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.9 OUTLIER -87.79 -55.67 3.67 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.269 -0.894 . . . . 10.0 109.812 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 18' ' ' TYR . 2.8 t -57.71 -20.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.566 -0.709 . . . . 10.0 110.393 -179.592 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 23' B LEU . . . . . 0.579 ' HB2' ' O ' ' B' ' 19' ' ' THR . 6.0 mp -85.68 -46.78 10.41 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.19 -0.944 . . . . 10.0 109.842 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -54.54 17.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.869 . . . . 10.0 110.209 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' B' ' 26' ' ' GLN . 9.6 mm-40 -77.55 -28.54 51.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.899 . . . . 10.0 110.202 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 2.1 tt0 38.41 70.43 1.29 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.316 -0.865 . . . . 10.0 110.274 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.6 ' HG3' ' CD1' ' B' ' 33' ' ' PHE . 44.0 Cg_endo -69.73 164.46 34.42 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 O-C-N 124.063 1.56 . . . . 10.0 110.561 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.36 -39.53 7.16 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 O-C-N 124.097 1.577 . . . . 10.0 110.303 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -127.2 148.2 50.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.354 -0.841 . . . . 10.0 109.895 179.713 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.673 ' HG ' HD22 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -89.66 -56.23 3.33 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.185 -0.947 . . . . 10.0 110.237 -179.657 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' B' ' 30' ' ' LEU . 17.4 t -34.67 -59.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-O 121.808 0.813 . . . . 10.0 109.828 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.431 ' HA ' HH11 ' A' ' 42' ' ' ARG . 3.7 t0 -59.52 -48.42 81.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.734 -0.604 . . . . 10.0 110.161 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.6 ' CD1' ' HG3' ' B' ' 27' ' ' PRO . 67.3 t80 -56.15 -33.77 65.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.125 -0.984 . . . . 10.0 109.621 179.527 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.672 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -65.04 -50.35 66.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.406 -0.809 . . . . 10.0 109.853 179.699 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.875 ' O ' ' HB ' ' B' ' 39' ' ' THR . 42.8 t -62.59 -37.47 79.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.394 -0.816 . . . . 10.0 110.579 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -38.23 81.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.084 -1.01 . . . . 10.0 110.725 -179.569 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.465 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 76.1 t80 -72.93 -70.79 0.34 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.052 -1.03 . . . . 10.0 110.635 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.693 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 18.5 m-85 -51.22 -61.53 2.18 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.238 -0.914 . . . . 10.0 110.688 -179.527 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.875 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 9.0 m -40.98 -60.03 1.3 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.04 -1.038 . . . . 10.0 109.794 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -53.9 -28.29 35.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -0.842 . . . . 10.0 109.827 179.703 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 0.5 OUTLIER -69.43 -54.14 15.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 10.0 109.869 179.595 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.566 ' CB ' ' CZ ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -57.08 -44.06 82.75 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.227 -0.921 . . . . 10.0 109.848 179.629 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.624 ' O ' ' C ' ' B' ' 44' ' ' ALA . 42.9 mm-40 -99.01 12.99 34.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.523 -0.736 . . . . 10.0 110.305 -179.623 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.624 ' C ' ' O ' ' B' ' 43' ' ' GLU . . . -20.66 -62.35 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.644 0.735 . . . . 10.0 111.092 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.491 ' O ' ' O ' ' B' ' 44' ' ' ALA . 0.6 OUTLIER -41.23 166.24 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.896 -0.722 . . . . 10.0 110.553 -178.624 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.996 -1.002 . . . . 10.0 110.25 179.598 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.1 m170 . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.266 0.555 . . . . 10.0 110.198 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -126.34 131.93 51.7 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.267 -0.895 . . . . 10.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.39 -159.65 28.08 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.665 -1.374 . . . . 10.0 109.665 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.25 172.23 13.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.233 -1.157 . . . . 10.0 110.209 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.9 mm -134.21 87.17 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.133 -0.979 . . . . 10.0 110.631 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.699 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 8.5 mm-40 -102.69 -160.12 0.76 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.292 -0.88 . . . . 10.0 109.757 179.508 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.047 ' O ' HD12 ' A' ' 7' ' ' ILE . 1.5 pp -124.49 24.98 0.12 Allowed Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 120.921 -1.112 . . . . 10.0 112.153 -179.757 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.819 ' CD ' ' N ' ' A' ' 7' ' ' ILE . 51.5 Cg_endo -73.37 117.43 5.08 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.402 1.211 . . . . 10.0 110.017 178.79 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.789 ' HG2' ' HG ' ' B' ' 30' ' ' LEU . 50.1 Cg_endo -73.97 110.73 3.14 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 O-C-N 123.733 1.386 . . . . 10.0 110.789 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.541 ' O ' ' HB2' ' A' ' 14' ' ' LEU . . . 43.06 16.19 0.03 OUTLIER Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.629 -1.388 . . . . 10.0 109.629 -179.779 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . 11.0 tp -73.2 -51.87 16.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.079 -1.247 . . . . 10.0 110.451 -179.698 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 24.1 m -47.75 -79.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.157 -0.965 . . . . 10.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.81 -69.29 0.14 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.22 -0.925 . . . . 10.0 110.669 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.548 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 86.9 mt -45.48 -65.54 0.52 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.195 -0.941 . . . . 10.0 110.364 -179.683 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.05 HD11 HD11 ' B' ' 15' ' ' LEU . 4.0 tp -57.91 -72.91 0.08 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.189 -0.944 . . . . 10.0 110.558 -179.618 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -39.66 -31.25 0.09 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 10.0 110.242 -179.864 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.539 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -82.0 -47.04 6.37 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.607 -1.397 . . . . 10.0 109.607 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.815 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -73.39 -36.21 66.0 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.047 -1.267 . . . . 10.0 109.77 179.855 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.53 ' HA ' HD21 ' B' ' 11' ' ' LEU . 22.4 m -62.34 -40.46 96.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 10.0 109.922 179.683 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 3.5 t -65.48 -33.7 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.327 -0.858 . . . . 10.0 110.112 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.7 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.3 mt-10 -65.72 -50.53 64.51 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.129 -0.982 . . . . 10.0 108.996 179.539 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 18' ' ' TYR . 4.7 t -51.28 -46.95 34.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.383 0.611 . . . . 10.0 110.068 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' A LEU . . . . . 0.977 ' HA ' HD11 ' B' ' 7' ' ' ILE . 3.8 tp -73.83 -11.79 60.48 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.366 -0.834 . . . . 10.0 110.377 -179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.536 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -98.03 12.08 35.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.195 -0.941 . . . . 10.0 110.607 -179.821 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.68 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.8 OUTLIER -172.3 27.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.999 -1.063 . . . . 10.0 110.797 179.822 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.68 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.4 tt0 8.03 78.82 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.629 -0.669 . . . . 10.0 111.183 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.492 ' HG2' ' HB2' ' A' ' 30' ' ' LEU . 43.3 Cg_endo -69.87 132.26 22.8 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 O-C-N 123.985 1.519 . . . . 10.0 110.64 -179.802 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.99 -33.59 19.15 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 O-C-N 123.955 1.503 . . . . 10.0 110.293 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' ' C ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -107.31 26.32 10.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.262 -0.899 . . . . 10.0 109.702 179.786 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.812 ' HG ' ' HG2' ' B' ' 9' ' ' PRO . 0.7 OUTLIER -31.17 -61.71 0.19 Allowed 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.534 -179.633 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.519 ' C ' ' O ' ' A' ' 30' ' ' LEU . 13.3 t -34.33 -60.41 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.479 -0.763 . . . . 10.0 109.669 179.631 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.482 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 3.1 t0 -59.1 -45.03 91.9 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.735 -0.603 . . . . 10.0 109.904 179.65 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' LEU . 17.5 t80 -61.56 -48.51 80.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.157 -0.964 . . . . 10.0 109.416 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.66 -28.18 31.68 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.394 -0.816 . . . . 10.0 109.535 179.391 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.729 HG21 ' HA ' ' B' ' 39' ' ' THR . 3.4 t -77.82 -54.89 11.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 O-C-N 121.344 -0.847 . . . . 10.0 109.573 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.0 mt-10 -53.01 -36.06 60.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.398 -0.814 . . . . 10.0 109.787 179.493 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 18' ' ' TYR . 9.0 t80 -59.69 -63.53 1.27 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.862 . . . . 10.0 109.994 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 22.8 m-85 -69.01 -53.54 20.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 10.0 110.06 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.698 ' HA ' HG21 ' B' ' 35' ' ' VAL . 4.4 m -43.56 -31.0 0.65 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.15 -0.969 . . . . 10.0 109.633 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 11.4 mtt180 -74.23 -41.35 61.47 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.374 -0.829 . . . . 10.0 110.002 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HA ' HD13 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -52.45 -29.12 23.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 10.0 110.07 179.756 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -35.84 71.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -0.858 . . . . 10.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -34.28 71.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.919 . . . . 10.0 110.002 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -68.28 -69.95 0.29 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 10.0 110.35 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 44' ' ' ALA . 14.4 mmt180 -35.84 155.8 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.267 0.556 . . . . 10.0 110.761 -178.686 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 45' ' ' ARG . 5.4 mpt_? . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 117.956 -1.021 . . . . 10.0 110.181 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 9.3 m170 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.25 0.548 . . . . 10.0 110.195 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -126.16 132.63 51.78 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.279 -0.888 . . . . 10.0 110.175 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.85 -160.13 28.17 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.547 -1.421 . . . . 10.0 109.547 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.64 171.45 14.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -1.166 . . . . 10.0 110.09 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 29.7 mm -133.4 87.18 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.296 -0.878 . . . . 10.0 110.551 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.7 ' HB3' ' HD3' ' B' ' 8' ' ' PRO . 8.6 mm-40 -102.52 -159.71 0.74 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.178 -0.952 . . . . 10.0 109.638 179.445 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 1.062 ' O ' HD12 ' B' ' 7' ' ' ILE . 1.5 pp -124.82 24.38 0.11 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.891 -1.13 . . . . 10.0 112.06 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.826 ' CD ' ' N ' ' B' ' 7' ' ' ILE . 51.4 Cg_endo -72.83 117.28 5.06 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 O-C-N 123.405 1.213 . . . . 10.0 110.142 178.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.812 ' HG2' ' HG ' ' A' ' 30' ' ' LEU . 48.2 Cg_endo -73.82 110.66 3.12 Favored 'Trans proline' 0 C--N 1.302 -1.883 0 O-C-N 123.762 1.401 . . . . 10.0 110.789 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.541 ' O ' ' HB2' ' B' ' 14' ' ' LEU . . . 43.07 16.23 0.03 OUTLIER Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.555 -1.418 . . . . 10.0 109.555 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.615 ' HB3' ' HB2' ' B' ' 8' ' ' PRO . 10.9 tp -73.14 -52.52 13.88 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.113 -1.227 . . . . 10.0 110.409 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.512 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 25.1 m -47.13 -79.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.136 -0.977 . . . . 10.0 110.405 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -69.63 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.918 . . . . 10.0 110.562 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' B' ' 10' ' ' GLY . 87.0 mt -45.07 -65.51 0.52 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.213 -0.93 . . . . 10.0 110.415 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 1.05 HD11 HD11 ' A' ' 15' ' ' LEU . 3.9 tp -58.06 -72.94 0.08 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.229 -0.919 . . . . 10.0 110.483 -179.623 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -39.59 -31.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.153 -0.967 . . . . 10.0 110.261 -179.831 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -81.99 -46.91 6.44 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.677 -1.369 . . . . 10.0 109.677 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.803 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -73.59 -36.23 65.51 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.123 -1.222 . . . . 10.0 109.691 179.83 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.492 ' HA ' HD21 ' A' ' 11' ' ' LEU . 22.0 m -62.17 -40.27 95.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.829 . . . . 10.0 109.965 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 3.4 t -65.79 -33.59 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.304 -0.872 . . . . 10.0 110.083 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.712 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.3 mt-10 -65.73 -50.46 64.71 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.11 -0.994 . . . . 10.0 109.047 179.559 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.803 HG23 ' O ' ' B' ' 18' ' ' TYR . 4.6 t -51.06 -47.82 30.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 CA-C-O 121.361 0.601 . . . . 10.0 110.119 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 23' B LEU . . . . . 0.991 ' HA ' HD11 ' A' ' 7' ' ' ILE . 3.8 tp -73.13 -12.65 60.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.379 -0.826 . . . . 10.0 110.334 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 1.1 tpt180 -97.08 11.91 34.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.164 -0.96 . . . . 10.0 110.64 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.678 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.7 OUTLIER -172.16 27.05 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.114 -0.991 . . . . 10.0 110.69 179.799 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.678 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.5 tt0 8.18 78.79 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.542 -0.724 . . . . 10.0 111.215 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' B' ' 30' ' ' LEU . 43.1 Cg_endo -69.98 131.96 22.0 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 O-C-N 123.96 1.505 . . . . 10.0 110.511 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.08 -33.82 18.28 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 123.993 1.523 . . . . 10.0 110.244 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.7 OUTLIER -106.85 26.3 10.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.309 -0.87 . . . . 10.0 109.7 179.693 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.789 ' HG ' ' HG2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -31.18 -61.63 0.19 Allowed 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.458 -179.624 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.516 ' C ' ' O ' ' B' ' 30' ' ' LEU . 14.2 t -34.59 -60.55 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 CA-C-O 121.762 0.791 . . . . 10.0 109.603 179.764 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.478 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 2.7 t0 -58.76 -44.97 90.74 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.717 -0.614 . . . . 10.0 109.915 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.406 ' HD2' HD23 ' B' ' 30' ' ' LEU . 17.6 t80 -61.59 -48.23 81.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.149 -0.969 . . . . 10.0 109.386 179.293 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.01 -28.12 36.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.355 -0.841 . . . . 10.0 109.558 179.421 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 39' ' ' THR . 3.2 t -77.69 -54.45 12.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 O-C-N 121.427 -0.795 . . . . 10.0 109.501 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' B' ' 40' ' ' ARG . 3.1 mt-10 -53.6 -36.64 62.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.267 -0.895 . . . . 10.0 109.801 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' B' ' 18' ' ' TYR . 9.1 t80 -59.0 -63.16 1.4 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.346 -0.846 . . . . 10.0 110.006 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' B' ' 14' ' ' LEU . 22.9 m-85 -69.3 -53.35 20.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 10.0 110.056 179.863 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.729 ' HA ' HG21 ' A' ' 35' ' ' VAL . 4.5 m -43.77 -30.47 0.66 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.102 -0.999 . . . . 10.0 109.722 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' B' ' 36' ' ' GLU . 10.9 mtt180 -74.7 -41.7 59.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.408 -0.807 . . . . 10.0 109.897 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' B' ' 41' ' ' LEU . 0.2 OUTLIER -52.41 -29.44 24.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 10.0 109.968 179.871 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -57.66 -36.07 71.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 10.0 110.194 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -33.87 70.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.196 -0.94 . . . . 10.0 110.063 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -68.47 -69.69 0.31 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.337 -0.852 . . . . 10.0 110.439 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' B' ' 44' ' ' ALA . 14.8 mmt180 -36.08 155.95 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.288 0.566 . . . . 10.0 110.692 -178.681 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' B' ' 45' ' ' ARG . 5.4 mpt_? . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.947 -1.025 . . . . 10.0 110.188 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 2' ' ' MET . 23.1 p80 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.261 0.553 . . . . 10.0 110.225 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 1' ' ' HIS . 0.0 OUTLIER -41.99 -76.71 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 10.0 110.271 -179.948 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.18 -96.42 0.1 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.556 -1.418 . . . . 10.0 109.556 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -111.53 30.07 7.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.279 -1.13 . . . . 10.0 110.218 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mm -113.68 141.74 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.168 -0.958 . . . . 10.0 110.118 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.95 148.24 47.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 10.0 110.243 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.8 mm -91.69 114.39 61.77 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.21 -0.931 . . . . 10.0 110.182 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.841 ' HB2' HD13 ' A' ' 11' ' ' LEU . 46.5 Cg_endo -71.6 128.71 14.69 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 O-C-N 123.953 1.501 . . . . 10.0 110.624 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -74.13 131.35 15.28 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 O-C-N 123.974 1.513 . . . . 10.0 110.643 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.92 -21.01 12.41 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.76 -1.336 . . . . 10.0 109.76 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 8' ' ' PRO . 2.1 mp -77.2 -71.31 0.41 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.169 -1.195 . . . . 10.0 110.127 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 13' ' ' GLU . 1.3 m -40.62 -68.44 0.18 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.32 -0.862 . . . . 10.0 110.069 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.538 ' N ' HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER -40.91 -55.65 2.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.469 -0.77 . . . . 10.0 110.387 179.909 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.512 HD23 HD23 ' B' ' 30' ' ' LEU . 54.6 tp -60.07 -60.74 3.35 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.186 -0.946 . . . . 10.0 110.449 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.707 HD21 ' CE2' ' B' ' 18' ' ' TYR . 73.0 mt -54.14 -68.16 0.2 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.258 -0.901 . . . . 10.0 110.386 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.497 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 0.9 OUTLIER -39.39 -44.54 1.35 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.207 -0.933 . . . . 10.0 110.048 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.464 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -47.08 -47.64 20.21 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 108.958 -1.657 . . . . 10.0 108.958 179.604 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.845 ' HE1' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -73.71 -47.49 39.09 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.138 -1.213 . . . . 10.0 109.0 179.348 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.748 HG23 ' HG3' ' B' ' 8' ' ' PRO . 8.5 m -50.52 -33.01 19.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.788 -1.195 . . . . 10.0 110.527 179.032 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 16' ' ' GLN . 65.4 t -74.69 -34.91 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.134 -0.979 . . . . 10.0 110.841 -179.454 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.784 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -66.52 -53.74 31.56 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.084 -1.01 . . . . 10.0 109.361 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.845 HG21 ' HE1' ' A' ' 18' ' ' TYR . 6.1 t -48.36 -45.98 13.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.793 -0.567 . . . . 10.0 110.17 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' A LEU . . . . . 0.764 HD11 ' HD3' ' B' ' 8' ' ' PRO . 14.2 mt -60.28 -29.64 68.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.228 -0.92 . . . . 10.0 109.826 179.652 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.71 24.4 1.47 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.263 -0.898 . . . . 10.0 110.573 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -167.26 -37.24 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.157 -0.964 . . . . 10.0 110.128 179.595 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 2.0 tm0? 57.01 80.58 0.28 Allowed Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.451 -0.781 . . . . 10.0 110.212 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.461 ' CD ' HG13 ' A' ' 22' ' ' VAL . 43.0 Cg_endo -70.0 169.33 19.49 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 O-C-N 124.015 1.534 . . . . 10.0 110.532 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.467 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 43.2 Cg_endo -69.4 -8.02 22.5 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 124.067 1.562 . . . . 10.0 110.482 179.843 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.467 ' OD1' ' HG2' ' A' ' 28' ' ' PRO . 0.5 OUTLIER -171.87 130.07 0.65 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.277 -0.89 . . . . 10.0 110.055 179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.694 HD11 ' CE1' ' A' ' 18' ' ' TYR . 19.3 tp -78.12 -55.99 4.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.197 -0.939 . . . . 10.0 110.566 -179.704 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.603 HG12 ' HG2' ' B' ' 42' ' ' ARG . 23.4 t -29.52 -67.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 CA-C-O 121.662 0.744 . . . . 10.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.22 -42.8 63.87 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.649 -0.657 . . . . 10.0 110.088 179.714 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 4.0 t80 -62.89 -47.64 82.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.081 -1.012 . . . . 10.0 109.478 179.338 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.03 -32.49 47.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.356 -0.84 . . . . 10.0 109.701 179.385 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.795 HG23 ' HB3' ' B' ' 38' ' ' PHE . 2.8 t -87.88 -54.48 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 121.267 -0.895 . . . . 10.0 110.208 -179.77 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -38.13 55.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.282 -0.886 . . . . 10.0 110.237 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.494 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 85.3 t80 -71.68 -55.48 7.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 10.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.784 ' HB3' HG23 ' B' ' 35' ' ' VAL . 8.2 m-85 -68.86 -53.25 22.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.139 -0.976 . . . . 10.0 110.314 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.58 ' HA ' HG21 ' B' ' 35' ' ' VAL . 17.9 m -45.43 -43.49 11.37 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.06 -1.025 . . . . 10.0 109.884 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -41.59 89.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.275 -0.891 . . . . 10.0 109.877 179.633 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 9.4 mt -56.37 -37.21 69.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.949 . . . . 10.0 109.721 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.576 ' HG2' HG12 ' B' ' 31' ' ' VAL . 9.3 mmm180 -72.06 -27.81 62.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.284 -0.885 . . . . 10.0 109.801 179.626 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.483 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 1.3 tp10 -98.11 -2.46 40.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.42 -0.8 . . . . 10.0 109.757 179.812 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.573 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -37.18 -66.3 0.25 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.312 -0.868 . . . . 10.0 110.508 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.573 ' C ' ' O ' ' A' ' 44' ' ' ALA . 1.6 tpp85 -26.76 125.22 0.07 Allowed 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.31 0.576 . . . . 10.0 110.683 -178.776 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 117.908 -1.044 . . . . 10.0 110.163 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' B' ' 2' ' ' MET . 22.6 p80 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.247 0.546 . . . . 10.0 110.199 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 2' ' ' MET . . . . . 0.412 ' C ' ' O ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER -42.08 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 10.0 110.275 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.56 -96.84 0.1 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.554 -1.418 . . . . 10.0 109.554 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -110.99 29.82 7.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.323 -1.104 . . . . 10.0 110.253 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mm -113.64 142.49 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.298 -0.876 . . . . 10.0 110.141 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.64 148.37 47.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -0.856 . . . . 10.0 110.235 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 11.3 mm -91.7 114.8 63.07 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 10.0 110.138 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.839 ' HB2' HD13 ' B' ' 11' ' ' LEU . 49.9 Cg_endo -72.07 128.63 14.16 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 123.971 1.511 . . . . 10.0 110.545 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -74.15 130.97 14.78 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 124.013 1.533 . . . . 10.0 110.76 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.98 -20.51 15.42 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.67 -1.372 . . . . 10.0 109.67 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.839 HD13 ' HB2' ' B' ' 8' ' ' PRO . 2.2 mp -77.58 -71.44 0.41 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -1.181 . . . . 10.0 110.24 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.544 HG22 ' N ' ' B' ' 13' ' ' GLU . 1.3 m -40.21 -68.3 0.18 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.405 -0.81 . . . . 10.0 110.167 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.544 ' N ' HG22 ' B' ' 12' ' ' THR . 0.0 OUTLIER -41.05 -55.86 2.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.467 -0.771 . . . . 10.0 110.303 179.899 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.622 HD23 HD23 ' A' ' 30' ' ' LEU . 55.7 tp -59.67 -60.88 3.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.289 -0.882 . . . . 10.0 110.445 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.718 HD21 ' CE2' ' A' ' 18' ' ' TYR . 73.2 mt -54.02 -68.38 0.18 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.243 -0.911 . . . . 10.0 110.411 -179.863 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.5 ' HA ' ' HB ' ' B' ' 19' ' ' THR . 0.9 OUTLIER -39.2 -44.69 1.25 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.254 -0.904 . . . . 10.0 110.058 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -46.95 -47.34 19.68 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.951 -1.66 . . . . 10.0 108.951 179.562 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.837 ' CD1' ' C ' ' B' ' 18' ' ' TYR . 0.0 OUTLIER -74.09 -47.97 32.84 Favored 'General case' 0 C--N 1.308 -1.232 0 O-C-N 121.132 -1.217 . . . . 10.0 108.978 179.411 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.678 HG23 ' HG3' ' A' ' 8' ' ' PRO . 8.8 m -50.24 -32.76 17.51 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.819 -1.175 . . . . 10.0 110.519 178.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 16' ' ' GLN . 61.5 t -75.02 -34.49 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.163 -0.961 . . . . 10.0 110.887 -179.498 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.783 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.7 OUTLIER -66.97 -53.7 29.04 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.098 -1.002 . . . . 10.0 109.214 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.824 HG21 ' HE1' ' B' ' 18' ' ' TYR . 6.5 t -48.28 -46.26 13.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.766 -0.583 . . . . 10.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 23' B LEU . . . . . 0.699 HD11 ' HD3' ' A' ' 8' ' ' PRO . 14.2 mt -60.08 -29.34 68.5 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.195 -0.941 . . . . 10.0 109.89 179.648 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.78 23.97 1.58 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 10.0 110.516 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' B' ' 26' ' ' GLN . 0.5 OUTLIER -166.98 -37.01 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.221 -0.925 . . . . 10.0 110.211 179.676 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' B' ' 25' ' ' GLN . 2.0 tm0? 57.07 80.72 0.28 Allowed Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.403 -0.811 . . . . 10.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.462 ' CD ' HG13 ' B' ' 22' ' ' VAL . 42.9 Cg_endo -70.06 169.02 20.28 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 O-C-N 124.072 1.564 . . . . 10.0 110.543 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.467 ' HG2' ' OD1' ' B' ' 29' ' ' ASP . 42.4 Cg_endo -69.48 -7.4 20.87 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 123.956 1.503 . . . . 10.0 110.387 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.467 ' OD1' ' HG2' ' B' ' 28' ' ' PRO . 0.5 OUTLIER -172.27 130.73 0.6 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.237 -0.914 . . . . 10.0 109.918 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.688 HD11 ' OH ' ' B' ' 18' ' ' TYR . 17.0 tp -79.05 -56.29 4.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.883 . . . . 10.0 110.612 -179.705 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.584 ' C ' ' O ' ' B' ' 30' ' ' LEU . 25.0 t -29.19 -67.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.473 -0.767 . . . . 10.0 110.293 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.47 -43.1 64.78 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.596 -0.69 . . . . 10.0 110.109 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' B' ' 33' ' ' PHE . 4.0 t80 -62.66 -47.42 83.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.119 -0.988 . . . . 10.0 109.574 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.97 -32.86 48.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -0.864 . . . . 10.0 109.796 179.285 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.784 HG23 ' HB3' ' A' ' 38' ' ' PHE . 2.8 t -87.85 -54.22 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.23 -0.919 . . . . 10.0 110.162 -179.822 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -38.74 57.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.22 -0.925 . . . . 10.0 110.111 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.484 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 84.7 t80 -71.12 -55.79 7.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.173 -0.955 . . . . 10.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.795 ' HB3' HG23 ' A' ' 35' ' ' VAL . 8.5 m-85 -68.62 -52.71 28.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.262 -0.899 . . . . 10.0 110.416 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.639 ' HA ' HG21 ' A' ' 35' ' ' VAL . 16.8 m -45.88 -43.5 13.69 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.158 -0.964 . . . . 10.0 109.856 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -41.93 88.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.253 -0.905 . . . . 10.0 109.794 179.556 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 9.4 mt -56.19 -37.57 69.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.223 -0.923 . . . . 10.0 109.798 179.61 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.603 ' HG2' HG12 ' A' ' 31' ' ' VAL . 9.3 mmm180 -71.73 -27.89 63.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.251 -0.906 . . . . 10.0 109.902 179.685 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.487 ' O ' ' OE2' ' B' ' 43' ' ' GLU . 1.4 tp10 -98.29 -2.19 40.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.335 -0.853 . . . . 10.0 109.832 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.577 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -37.3 -66.07 0.26 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.386 -0.822 . . . . 10.0 110.619 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' B' ' 44' ' ' ALA . 1.6 tpp85 -27.03 125.44 0.07 Allowed 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 121.276 0.56 . . . . 10.0 110.74 -178.88 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' B' ' 46' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 118.003 -0.998 . . . . 10.0 110.133 -179.872 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.282 0.563 . . . . 10.0 110.368 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -112.68 74.55 0.87 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.176 -0.952 . . . . 10.0 110.03 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' MET . . . 43.6 -148.96 0.77 Allowed Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.637 -1.385 . . . . 10.0 109.637 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.491 ' C ' HD12 ' A' ' 5' ' ' ILE . 4.0 m-70 -107.08 134.9 49.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.22 -1.165 . . . . 10.0 110.204 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.522 ' CG2' ' N ' ' A' ' 6' ' ' GLN . 0.7 OUTLIER -151.87 169.26 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.907 . . . . 10.0 110.005 179.891 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.522 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 1.3 mt-30 -130.35 112.3 13.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.27 -0.894 . . . . 10.0 110.238 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.557 HG13 HG23 ' B' ' 19' ' ' THR . 1.2 mp -55.2 123.71 49.97 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.206 -0.934 . . . . 10.0 110.114 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.21 160.63 48.39 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.88 1.463 . . . . 10.0 110.756 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.06 178.99 5.82 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 O-C-N 124.042 1.548 . . . . 10.0 110.285 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.14 -43.2 2.96 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.325 -1.51 . . . . 10.0 109.325 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.814 HD11 HD22 ' A' ' 15' ' ' LEU . 2.4 tm? -71.37 -52.97 15.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.293 -1.122 . . . . 10.0 109.97 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 63.3 m -44.65 -50.21 9.95 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.244 -0.91 . . . . 10.0 110.046 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.6 tp10 -39.31 -59.66 1.02 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.435 -0.79 . . . . 10.0 110.315 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 14' ' ' LEU . 1.6 mm? -56.14 -61.77 2.16 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.344 -0.848 . . . . 10.0 110.195 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.814 HD22 HD11 ' A' ' 11' ' ' LEU . 6.9 mp -54.77 -58.75 6.33 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.256 -0.902 . . . . 10.0 110.307 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -40.35 -53.13 2.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.183 -0.948 . . . . 10.0 109.64 179.746 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -40.9 -55.16 3.44 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.727 -1.749 . . . . 10.0 108.727 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.613 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 1.2 t80 -46.41 -65.58 0.53 Allowed 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.256 -1.144 . . . . 10.0 110.046 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 23' A LEU . 1.2 m -42.72 -37.61 1.8 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 10.0 110.093 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 16' ' ' GLN . 43.9 t -70.98 -25.62 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.337 -0.852 . . . . 10.0 110.224 -179.834 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.613 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -88.77 -56.03 3.46 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.136 -0.978 . . . . 10.0 109.405 179.72 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.5 ' HA ' ' CD ' ' A' ' 27' ' ' PRO . 11.9 t -50.61 -22.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.603 -0.686 . . . . 10.0 110.046 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' A LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 19' ' ' THR . 4.0 mp -90.07 -37.14 14.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.367 -0.833 . . . . 10.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -76.16 5.76 6.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 10.0 110.993 -179.415 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.642 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.4 pt20 -162.35 16.05 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.926 -1.109 . . . . 10.0 110.987 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.642 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 17.95 77.16 0.15 Allowed Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.408 -0.808 . . . . 10.0 110.803 179.886 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.5 ' CD ' ' HA ' ' A' ' 22' ' ' VAL . 43.3 Cg_endo -69.41 168.73 20.27 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 123.984 1.518 . . . . 10.0 110.728 -179.563 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.18 -51.75 0.41 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 O-C-N 124.042 1.548 . . . . 10.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -151.26 144.61 24.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.266 -0.896 . . . . 10.0 110.105 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.758 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -70.21 -50.06 43.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 10.0 109.468 179.8 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.166 HG13 ' NH1' ' B' ' 42' ' ' ARG . 72.4 t -23.35 -72.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 121.658 0.742 . . . . 10.0 110.771 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -60.51 -58.52 8.15 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.515 -0.741 . . . . 10.0 109.585 179.664 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -43.52 -62.9 0.94 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 10.0 108.925 178.908 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 38' ' ' PHE . . . -40.4 -45.24 2.14 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.499 -0.751 . . . . 10.0 110.14 179.551 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.73 ' O ' ' HB ' ' A' ' 39' ' ' THR . 3.9 t -78.44 -50.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.188 -0.945 . . . . 10.0 110.662 -179.619 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -58.64 -46.67 86.6 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.196 -0.94 . . . . 10.0 110.609 -179.427 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.543 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 4.1 t80 -68.7 -57.87 5.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.07 . . . . 10.0 110.247 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.728 ' O ' ' NE ' ' A' ' 42' ' ' ARG . 10.5 m-85 -56.28 -70.05 0.13 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.287 -0.883 . . . . 10.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.73 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 1.8 m -39.07 -29.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.067 -1.02 . . . . 10.0 109.952 179.786 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -77.27 -35.8 54.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.283 -0.885 . . . . 10.0 109.948 179.495 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.736 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -57.97 -61.09 2.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 10.0 109.917 179.751 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 1.184 ' NH1' HG13 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -37.32 -40.08 0.32 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.393 -0.817 . . . . 10.0 110.014 -179.647 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.506 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 2.0 mt-10 -86.51 14.39 6.88 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.328 -0.858 . . . . 10.0 110.091 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.706 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . -43.94 -63.9 0.77 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.444 -0.785 . . . . 10.0 110.547 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.76 ' N ' ' HD3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -25.89 91.26 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 121.993 0.901 . . . . 10.0 111.044 -178.598 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.6 tpt180 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 120.933 -1.104 . . . . 10.0 110.242 -179.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.208 0.528 . . . . 10.0 110.332 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 2' ' ' MET . . . . . 0.433 ' O ' ' C ' ' B' ' 3' ' ' GLY . 0.0 OUTLIER -113.39 74.62 0.87 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.252 -0.905 . . . . 10.0 110.136 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 3' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' B' ' 2' ' ' MET . . . 43.73 -149.01 0.8 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.467 -1.453 . . . . 10.0 109.467 -179.872 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.49 ' C ' HD12 ' B' ' 5' ' ' ILE . 4.2 m-70 -107.28 135.1 49.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.284 -1.127 . . . . 10.0 110.175 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.527 ' CG2' ' N ' ' B' ' 6' ' ' GLN . 0.7 OUTLIER -151.99 169.51 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 10.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.527 ' N ' ' CG2' ' B' ' 5' ' ' ILE . 1.3 mt-30 -130.63 112.85 13.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -0.877 . . . . 10.0 110.247 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.491 ' CD1' ' N ' ' B' ' 7' ' ' ILE . 1.2 mp -55.68 123.71 52.91 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.139 -0.975 . . . . 10.0 110.058 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -71.33 160.71 47.96 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 O-C-N 123.979 1.515 . . . . 10.0 110.687 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.14 179.01 5.83 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 123.965 1.508 . . . . 10.0 110.266 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.19 -43.24 2.98 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.327 -1.509 . . . . 10.0 109.327 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.834 HD11 HD22 ' B' ' 15' ' ' LEU . 2.4 tm? -71.5 -52.99 15.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.243 -1.151 . . . . 10.0 109.838 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 63.2 m -44.68 -50.12 10.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 10.0 109.959 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.6 tp10 -39.43 -59.77 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.452 -0.78 . . . . 10.0 110.354 179.849 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' B' ' 14' ' ' LEU . 1.6 mm? -56.15 -61.57 2.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.312 -0.868 . . . . 10.0 110.249 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.834 HD22 HD11 ' B' ' 11' ' ' LEU . 6.7 mp -54.76 -58.83 5.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.234 -0.917 . . . . 10.0 110.338 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -40.5 -52.85 2.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.177 -0.952 . . . . 10.0 109.618 179.694 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -41.0 -54.91 3.55 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.72 -1.752 . . . . 10.0 108.72 179.416 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.604 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 1.1 t80 -46.59 -65.58 0.54 Allowed 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.275 -1.132 . . . . 10.0 110.18 179.331 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.557 HG23 HG13 ' A' ' 7' ' ' ILE . 1.2 m -42.5 -37.6 1.68 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.408 -0.808 . . . . 10.0 110.205 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 16' ' ' GLN . 44.1 t -70.97 -25.66 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.29 -0.881 . . . . 10.0 110.343 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.604 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -88.73 -55.68 3.61 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.084 -1.01 . . . . 10.0 109.464 179.735 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.49 ' HA ' ' CD ' ' B' ' 27' ' ' PRO . 11.5 t -51.02 -22.93 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.716 -0.615 . . . . 10.0 110.04 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 23' B LEU . . . . . 0.518 ' HB2' ' O ' ' B' ' 19' ' ' THR . 4.1 mp -89.9 -37.26 14.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.297 -0.877 . . . . 10.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' B' ' 24' ' ' ARG . 0.0 OUTLIER -76.3 6.07 6.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -0.913 . . . . 10.0 110.913 -179.391 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 25' ' ' GLN . . . . . 0.642 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.4 pt20 -162.5 16.04 0.08 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.891 -1.131 . . . . 10.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.642 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 17.48 77.18 0.14 Allowed Pre-proline 0 N--CA 1.5 2.031 0 O-C-N 121.433 -0.792 . . . . 10.0 110.747 179.835 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.499 ' HD3' ' HG2' ' B' ' 25' ' ' GLN . 43.9 Cg_endo -69.39 169.02 19.4 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.03 1.542 . . . . 10.0 110.683 -179.524 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.09 -51.96 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 123.992 1.522 . . . . 10.0 110.445 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -151.64 143.81 23.97 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.228 -0.92 . . . . 10.0 110.035 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.759 ' H ' HD22 ' B' ' 30' ' ' LEU . 0.4 OUTLIER -69.1 -49.71 54.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.267 -0.896 . . . . 10.0 109.444 179.694 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 1.184 HG13 ' NH1' ' A' ' 42' ' ' ARG . 71.9 t -23.01 -72.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 CA-C-O 121.64 0.733 . . . . 10.0 110.825 179.533 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.506 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -60.91 -57.93 10.58 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.647 -0.658 . . . . 10.0 109.577 179.664 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' B' ' 37' ' ' TYR . 0.6 OUTLIER -43.89 -62.49 1.1 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.225 -0.922 . . . . 10.0 108.985 178.854 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.603 ' O ' ' CD2' ' B' ' 38' ' ' PHE . . . -40.76 -44.65 2.26 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.483 -0.761 . . . . 10.0 110.116 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.731 ' O ' ' HB ' ' B' ' 39' ' ' THR . 3.6 t -78.97 -50.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.106 -0.996 . . . . 10.0 110.609 -179.643 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.535 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.7 OUTLIER -58.21 -46.47 85.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.079 -1.013 . . . . 10.0 110.582 -179.382 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' B' ' 33' ' ' PHE . 4.3 t80 -68.96 -58.39 4.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.053 -1.03 . . . . 10.0 110.255 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.72 ' O ' ' NE ' ' B' ' 42' ' ' ARG . 10.8 m-85 -55.91 -69.9 0.13 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.156 -0.965 . . . . 10.0 109.964 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.731 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 1.8 m -39.09 -29.54 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.121 -0.987 . . . . 10.0 109.89 179.802 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -77.27 -35.43 55.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.258 -0.901 . . . . 10.0 109.958 179.535 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.735 ' HB3' ' NH1' ' B' ' 42' ' ' ARG . 0.6 OUTLIER -57.91 -61.3 2.63 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.135 -0.978 . . . . 10.0 109.784 179.766 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 1.166 ' NH1' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -37.09 -39.99 0.28 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.375 -0.828 . . . . 10.0 110.012 -179.599 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.504 ' O ' ' HD3' ' B' ' 45' ' ' ARG . 2.0 mt-10 -86.6 14.06 7.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.249 -0.907 . . . . 10.0 110.201 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.704 ' N ' ' O ' ' B' ' 41' ' ' LEU . . . -43.81 -63.77 0.79 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.4 -0.812 . . . . 10.0 110.606 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.755 ' HD3' ' N ' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -26.36 91.7 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.997 0.903 . . . . 10.0 110.978 -178.646 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' B' ' 44' ' ' ALA . 1.9 tpt180 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 120.983 -1.073 . . . . 10.0 110.196 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.631 HD13 ' C ' ' A' ' 11' ' ' LEU . 2.7 tm? . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.29 0.567 . . . . 10.0 110.174 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 13' ' ' GLU . 74.4 m -59.06 -70.7 0.14 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.931 . . . . 10.0 110.12 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.3 tp10 -42.04 -61.81 1.07 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.403 -0.81 . . . . 10.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.519 ' HA ' HD23 ' A' ' 14' ' ' LEU . 8.1 mt -43.58 -62.09 1.19 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.192 -0.943 . . . . 10.0 110.082 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 11' ' ' LEU . 18.2 mt -52.46 -50.31 62.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.17 -0.956 . . . . 10.0 110.054 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.24 -61.68 1.12 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.903 . . . . 10.0 110.002 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -44.42 -49.48 8.38 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.066 -1.614 . . . . 10.0 109.066 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.666 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -41.33 -62.89 0.77 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.41 -1.053 . . . . 10.0 110.253 179.718 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.583 ' O ' ' HB2' ' A' ' 23' A LEU . 0.6 OUTLIER -50.28 -35.69 28.3 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.345 -0.847 . . . . 10.0 109.95 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.566 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 42.1 t -70.56 -24.51 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.263 -0.898 . . . . 10.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' OE2' ' CZ ' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -90.86 -64.32 1.15 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.167 -0.958 . . . . 10.0 110.066 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.545 HG22 ' CE2' ' A' ' 33' ' ' PHE . 9.8 t -45.68 -27.11 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.626 -0.671 . . . . 10.0 110.687 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 19' ' ' THR . 4.5 mp -88.47 -41.22 12.9 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.981 -1.074 . . . . 10.0 110.545 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -71.41 1.37 6.42 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.1 -1.0 . . . . 10.0 110.551 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.693 ' O ' ' C ' ' A' ' 26' ' ' GLN . 16.8 pt20 -159.2 20.58 0.19 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.092 -1.005 . . . . 10.0 110.614 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' A' ' 25' ' ' GLN . 8.9 mt-30 0.59 89.42 0.03 OUTLIER Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.701 -0.624 . . . . 10.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 26' ' ' GLN . 42.4 Cg_endo -68.88 160.48 49.59 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 123.974 1.513 . . . . 10.0 110.694 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.53 -8.41 23.52 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 O-C-N 124.072 1.564 . . . . 10.0 110.635 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 1.9 m-20 -168.33 139.6 2.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 10.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.526 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -82.78 -62.89 1.48 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.264 -0.897 . . . . 10.0 110.189 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 30' ' ' LEU . 12.1 t -34.37 -63.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.361 -0.837 . . . . 10.0 110.098 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -58.86 -41.54 87.25 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.539 -0.726 . . . . 10.0 110.144 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CE2' HG22 ' A' ' 22' ' ' VAL . 79.8 t80 -64.74 -34.47 78.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.262 -0.899 . . . . 10.0 109.703 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.666 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -67.87 -39.33 83.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.378 -0.826 . . . . 10.0 109.735 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.641 HG23 ' HB3' ' B' ' 38' ' ' PHE . 5.2 t -71.14 -42.33 75.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.416 -0.803 . . . . 10.0 110.135 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.52 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 6.0 mm-40 -69.04 -54.86 12.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.215 -0.928 . . . . 10.0 110.527 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.539 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 41.2 t80 -55.94 -49.71 72.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.189 -0.945 . . . . 10.0 110.686 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.589 ' HB3' HG23 ' B' ' 35' ' ' VAL . 13.6 m-85 -70.34 -51.27 31.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 10.0 110.579 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.657 ' HA ' HG21 ' B' ' 35' ' ' VAL . 16.2 m -45.02 -36.96 3.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.988 -1.07 . . . . 10.0 109.746 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.52 ' HD2' ' O ' ' A' ' 36' ' ' GLU . 20.2 mtt180 -79.77 -38.24 33.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.872 . . . . 10.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.463 HD23 HG13 ' B' ' 31' ' ' VAL . 35.5 tp -46.96 -33.33 4.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.968 . . . . 10.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.441 HH21 HG11 ' B' ' 35' ' ' VAL . 0.0 OUTLIER -59.83 -32.71 70.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 10.0 110.093 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 10.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.633 HD13 ' C ' ' B' ' 11' ' ' LEU . 2.7 tm? . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.237 0.541 . . . . 10.0 110.197 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.425 ' O ' ' C ' ' B' ' 13' ' ' GLU . 72.5 m -59.04 -70.63 0.14 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.234 -0.916 . . . . 10.0 110.131 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.3 tp10 -41.84 -61.92 1.01 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.42 -0.8 . . . . 10.0 110.235 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.518 ' HA ' HD23 ' B' ' 14' ' ' LEU . 8.3 mt -43.58 -62.06 1.2 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 10.0 110.143 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.598 HD12 HD11 ' B' ' 11' ' ' LEU . 18.1 mt -52.45 -50.26 62.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.893 . . . . 10.0 110.071 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' B' ' 17' ' ' GLY . 0.0 OUTLIER -42.26 -61.86 1.08 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 10.0 109.982 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -44.41 -49.59 8.33 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.125 -1.59 . . . . 10.0 109.125 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.666 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.5 OUTLIER -41.17 -62.77 0.78 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.382 -1.069 . . . . 10.0 110.193 179.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.577 ' O ' ' HB2' ' B' ' 23' B LEU . 0.6 OUTLIER -50.44 -35.87 30.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.301 -0.875 . . . . 10.0 109.91 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.573 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 39.6 t -70.32 -24.49 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.894 . . . . 10.0 110.499 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.506 ' OE2' ' CZ ' ' B' ' 37' ' ' TYR . 0.6 OUTLIER -90.84 -64.8 1.08 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.116 -0.99 . . . . 10.0 110.106 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.539 HG22 ' CE2' ' B' ' 33' ' ' PHE . 10.4 t -45.14 -27.35 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.692 -0.63 . . . . 10.0 110.67 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.577 ' HB2' ' O ' ' B' ' 19' ' ' THR . 4.4 mp -88.38 -41.19 12.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.063 -1.023 . . . . 10.0 110.504 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.1 OUTLIER -71.13 0.92 6.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.051 -1.031 . . . . 10.0 110.596 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.692 ' O ' ' C ' ' B' ' 26' ' ' GLN . 17.1 pt20 -158.74 19.68 0.21 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.035 -1.041 . . . . 10.0 110.661 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.692 ' C ' ' O ' ' B' ' 25' ' ' GLN . 9.1 mt-30 1.72 89.3 0.03 OUTLIER Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.693 -0.629 . . . . 10.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.85 160.55 49.25 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 O-C-N 124.016 1.535 . . . . 10.0 110.68 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.39 -9.34 25.98 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 124.048 1.552 . . . . 10.0 110.623 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -167.79 139.52 3.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.193 -0.942 . . . . 10.0 110.214 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.3 OUTLIER -82.46 -63.58 1.35 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.19 -0.944 . . . . 10.0 110.236 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.531 ' C ' ' O ' ' B' ' 30' ' ' LEU . 10.7 t -33.75 -63.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.462 -0.774 . . . . 10.0 110.067 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -59.59 -42.27 92.19 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.589 -0.694 . . . . 10.0 110.089 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.539 ' CE2' HG22 ' B' ' 22' ' ' VAL . 76.3 t80 -64.14 -34.3 77.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.195 -0.941 . . . . 10.0 109.734 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.666 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -67.95 -39.15 83.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.397 -0.814 . . . . 10.0 109.767 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' A' ' 39' ' ' THR . 5.6 t -71.42 -42.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 10.0 110.08 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.518 ' O ' ' HD2' ' B' ' 40' ' ' ARG . 6.0 mm-40 -69.11 -54.94 12.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 10.0 110.5 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.506 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 39.9 t80 -55.61 -50.4 70.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.21 -0.931 . . . . 10.0 110.683 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.641 ' HB3' HG23 ' A' ' 35' ' ' VAL . 13.8 m-85 -69.73 -51.59 32.9 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.112 -0.992 . . . . 10.0 110.578 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.636 ' HA ' HG21 ' A' ' 35' ' ' VAL . 16.4 m -45.06 -36.36 3.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.957 -1.089 . . . . 10.0 109.716 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.518 ' HD2' ' O ' ' B' ' 36' ' ' GLU . 21.3 mtt180 -79.94 -38.12 33.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.262 -0.899 . . . . 10.0 110.249 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.508 HD23 HG13 ' A' ' 31' ' ' VAL . 34.4 tp -47.2 -32.94 4.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.233 -0.917 . . . . 10.0 110.073 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.473 HH21 HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.271 -0.893 . . . . 10.0 110.077 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 24.5 tp . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.232 0.539 . . . . 10.0 110.384 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 15' ' ' LEU . 10.4 m -48.23 -68.53 0.18 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.302 -0.874 . . . . 10.0 110.635 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.557 ' CG ' ' N ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -39.48 -47.38 1.84 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.464 -0.772 . . . . 10.0 110.612 -179.606 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.557 ' N ' ' CG ' ' A' ' 13' ' ' GLU . 50.4 mt -65.35 -30.47 71.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.133 -0.979 . . . . 10.0 110.193 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.054 HD11 HD21 ' B' ' 15' ' ' LEU . 0.1 OUTLIER -74.36 -66.66 0.7 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.247 -0.908 . . . . 10.0 110.143 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -45.34 -33.7 2.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.285 -0.884 . . . . 10.0 110.102 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.54 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -72.58 -47.35 27.79 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.619 -1.393 . . . . 10.0 109.619 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.772 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -69.09 -43.49 74.4 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.099 -1.236 . . . . 10.0 109.623 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -59.64 -35.37 74.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.883 . . . . 10.0 109.72 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 16' ' ' GLN . 3.0 t -67.53 -27.65 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 10.0 109.855 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.715 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.5 mt-10 -76.18 -26.57 56.32 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.282 -0.886 . . . . 10.0 109.457 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -85.64 -40.67 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.521 -0.737 . . . . 10.0 110.076 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 23' A LEU . 1.6 mt -61.83 -38.51 88.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -0.903 . . . . 10.0 109.977 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -82.99 -51.14 7.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.33 -0.856 . . . . 10.0 110.171 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 7.1 mm100 -73.09 -30.59 63.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.203 -0.936 . . . . 10.0 110.247 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER 40.57 64.53 4.73 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 10.0 110.001 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.58 159.76 52.31 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 O-C-N 124.04 1.548 . . . . 10.0 110.684 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.23 -21.18 36.32 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 124.09 1.574 . . . . 10.0 110.352 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -137.69 120.29 16.13 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.862 . . . . 10.0 110.038 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.609 HD22 ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -81.02 -66.28 0.91 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.19 -0.944 . . . . 10.0 110.23 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.623 HG12 ' HG2' ' B' ' 42' ' ' ARG . 10.1 t -27.98 -54.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 CA-C-O 121.77 0.795 . . . . 10.0 110.042 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.41 ' CG ' ' NH1' ' B' ' 42' ' ' ARG . 7.2 t0 -66.3 -48.08 71.52 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.756 -0.59 . . . . 10.0 109.967 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CE1' HG22 ' A' ' 22' ' ' VAL . 29.2 t80 -63.78 -44.43 93.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.187 -0.946 . . . . 10.0 109.698 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.609 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -64.28 -24.18 67.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 10.0 110.024 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.511 ' O ' ' HB ' ' A' ' 39' ' ' THR . 2.2 t -87.25 -48.04 15.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.23 -0.919 . . . . 10.0 109.632 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -55.83 -43.19 76.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 10.0 110.01 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.658 ' O ' HD12 ' A' ' 41' ' ' LEU . 33.4 t80 -66.86 -56.78 8.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.194 -0.942 . . . . 10.0 110.08 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 2.2 m-85 -61.79 -60.67 3.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.403 -0.811 . . . . 10.0 110.214 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 12.5 m -43.08 -40.99 3.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.171 -0.956 . . . . 10.0 109.942 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 2.7 mtt180 -59.02 -41.46 87.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 10.0 109.944 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.658 HD12 ' O ' ' A' ' 37' ' ' TYR . 2.6 mp -57.48 -37.12 72.39 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -0.879 . . . . 10.0 109.993 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.542 ' HG2' HG12 ' B' ' 31' ' ' VAL . 0.9 OUTLIER -67.0 -9.33 37.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.357 -0.839 . . . . 10.0 110.231 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.208 -0.933 . . . . 10.0 110.214 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.252 0.549 . . . . 10.0 110.393 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.489 ' O ' ' N ' ' B' ' 15' ' ' LEU . 10.8 m -48.92 -68.33 0.19 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.248 -0.907 . . . . 10.0 110.582 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.554 ' CG ' ' N ' ' B' ' 14' ' ' LEU . 0.5 OUTLIER -39.44 -47.26 1.79 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.429 -0.794 . . . . 10.0 110.56 -179.611 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.554 ' N ' ' CG ' ' B' ' 13' ' ' GLU . 51.8 mt -65.74 -30.88 71.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 10.0 110.141 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 1.054 HD21 HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -73.39 -67.81 0.55 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 10.0 110.131 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.406 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.4 OUTLIER -44.43 -35.04 2.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.266 -0.896 . . . . 10.0 110.094 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -71.02 -47.81 36.2 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.619 -1.392 . . . . 10.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.773 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.0 OUTLIER -69.04 -43.2 75.18 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.086 -1.243 . . . . 10.0 109.706 179.76 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -59.91 -35.09 74.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 10.0 109.733 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 16' ' ' GLN . 3.1 t -67.73 -27.75 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.296 -0.878 . . . . 10.0 109.799 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.724 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.4 mt-10 -76.01 -26.88 57.11 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.28 -0.887 . . . . 10.0 109.47 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.773 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -85.5 -40.55 14.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.499 -0.751 . . . . 10.0 110.09 -179.607 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.482 ' HA ' HD23 ' B' ' 23' B LEU . 1.5 mt -61.75 -38.4 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.325 -0.859 . . . . 10.0 110.03 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -83.39 -50.88 7.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.337 -0.852 . . . . 10.0 110.174 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' B' ' 21' ' ' GLU . 7.5 mm100 -73.15 -30.44 63.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 10.0 110.193 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' B' ' 22' ' ' VAL . 0.6 OUTLIER 40.35 64.63 4.53 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.367 -0.833 . . . . 10.0 110.074 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.66 159.67 52.61 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 O-C-N 124.034 1.544 . . . . 10.0 110.665 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.26 -20.48 37.13 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.022 1.538 . . . . 10.0 110.336 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -138.17 120.4 15.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -0.908 . . . . 10.0 110.044 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.595 HD22 ' HB2' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -81.27 -66.4 0.89 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.216 -0.928 . . . . 10.0 110.199 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.58 ' C ' ' O ' ' B' ' 30' ' ' LEU . 9.7 t -27.91 -54.24 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 CA-C-O 121.77 0.795 . . . . 10.0 110.005 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -66.07 -47.91 72.71 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.78 -0.575 . . . . 10.0 109.968 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.618 ' CE1' HG22 ' B' ' 22' ' ' VAL . 28.6 t80 -63.97 -44.39 92.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.158 -0.964 . . . . 10.0 109.622 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.595 ' HB2' HD22 ' B' ' 30' ' ' LEU . . . -64.38 -24.3 67.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.377 -0.827 . . . . 10.0 109.983 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.509 ' O ' ' HB ' ' B' ' 39' ' ' THR . 2.2 t -86.66 -48.23 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.262 -0.899 . . . . 10.0 109.652 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -55.83 -43.2 76.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.439 -0.788 . . . . 10.0 109.928 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.675 ' O ' HD12 ' B' ' 41' ' ' LEU . 34.4 t80 -66.65 -57.4 7.27 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.893 . . . . 10.0 110.164 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 2.3 m-85 -61.28 -60.56 3.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 10.0 110.296 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 13.0 m -43.06 -41.01 3.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.144 -0.972 . . . . 10.0 109.941 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 2.4 mtt180 -59.28 -41.57 89.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.181 -0.949 . . . . 10.0 109.914 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.675 HD12 ' O ' ' B' ' 37' ' ' TYR . 2.5 mp -57.43 -36.85 71.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.292 -0.88 . . . . 10.0 109.999 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.623 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.358 -0.839 . . . . 10.0 110.154 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.774 HD22 HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.253 0.549 . . . . 10.0 110.196 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 88.9 m -48.55 -43.94 36.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.283 -0.885 . . . . 10.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' LEU . 1.9 mm-40 -53.62 -78.44 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 10.0 110.564 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' GLU . 1.7 mp -40.12 -52.21 2.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.359 -0.838 . . . . 10.0 110.658 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.774 HD22 HD22 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -57.54 -59.74 4.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.194 -0.941 . . . . 10.0 110.625 -179.564 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 12' ' ' THR . 1.3 tt0 -38.98 -63.41 0.53 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.169 -0.957 . . . . 10.0 109.917 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.542 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.16 -51.59 8.77 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.736 -1.745 . . . . 10.0 108.736 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.696 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -42.04 -64.71 0.55 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.29 -1.124 . . . . 10.0 109.897 179.496 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.609 ' O ' ' HB2' ' A' ' 23' A LEU . 0.8 OUTLIER -48.69 -30.87 5.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 10.0 109.79 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 54.8 t -78.6 -26.2 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.27 -0.894 . . . . 10.0 110.163 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -89.75 -47.86 7.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.159 -0.963 . . . . 10.0 109.814 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 18' ' ' TYR . 2.8 t -65.5 -20.34 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.489 -0.757 . . . . 10.0 110.087 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.609 ' HB2' ' O ' ' A' ' 19' ' ' THR . 7.6 tt -85.18 -48.9 8.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.216 -0.928 . . . . 10.0 110.026 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 1.4 mtt-85 -68.82 -65.19 0.73 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 10.0 110.008 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -62.86 -30.8 71.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.231 -0.918 . . . . 10.0 110.168 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.479 ' C ' ' O ' ' A' ' 25' ' ' GLN . 1.7 mt-30 37.82 70.24 1.27 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.414 -0.804 . . . . 10.0 110.16 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.9 157.82 60.33 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 O-C-N 124.061 1.558 . . . . 10.0 110.639 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 42.5 Cg_endo -69.05 -20.89 37.57 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 124.036 1.545 . . . . 10.0 110.266 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.463 ' OD2' ' OD2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -145.11 121.12 10.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.351 -0.843 . . . . 10.0 109.817 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.609 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -69.81 -68.84 0.39 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.254 -0.904 . . . . 10.0 110.461 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.609 ' C ' ' O ' ' A' ' 30' ' ' LEU . 5.5 t -22.73 -66.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.596 -0.69 . . . . 10.0 110.458 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -53.26 -49.62 66.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.504 -0.747 . . . . 10.0 109.582 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.597 ' N ' ' O ' ' A' ' 30' ' ' LEU . 89.5 t80 -54.59 -37.12 65.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 10.0 109.621 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -63.07 -49.77 73.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 10.0 109.991 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.538 HG22 ' N ' ' B' ' 39' ' ' THR . 89.8 t -62.65 -21.45 27.52 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.318 -0.864 . . . . 10.0 110.237 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 3.6 mt-10 -85.22 -49.63 8.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.307 -0.871 . . . . 10.0 110.312 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.48 ' CD1' ' OE1' ' A' ' 21' ' ' GLU . 40.3 t80 -62.75 -53.69 50.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.319 -0.863 . . . . 10.0 110.407 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.489 ' CG ' ' HB1' ' B' ' 34' ' ' ALA . 9.6 m-85 -62.7 -52.49 63.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.291 -0.881 . . . . 10.0 110.423 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.557 ' N ' HG22 ' B' ' 35' ' ' VAL . 5.0 m -48.84 -55.36 11.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.112 -0.993 . . . . 10.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -55.21 -30.06 59.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.21 -0.931 . . . . 10.0 110.136 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -64.85 -53.22 50.23 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 10.0 109.935 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -13.95 62.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.191 -0.943 . . . . 10.0 109.905 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 1.2 tp10 . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.35 -0.844 . . . . 10.0 109.718 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.776 HD22 HD22 ' B' ' 15' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.275 0.559 . . . . 10.0 110.207 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 99.9 m -47.62 -44.81 27.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 10.0 110.255 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' B' ' 14' ' ' LEU . 1.8 mm-40 -52.48 -78.38 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.467 -0.771 . . . . 10.0 110.579 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' B' ' 13' ' ' GLU . 1.8 mp -40.38 -52.61 2.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.341 -0.849 . . . . 10.0 110.786 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.776 HD22 HD22 ' B' ' 11' ' ' LEU . 0.9 OUTLIER -57.33 -59.66 4.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.216 -0.928 . . . . 10.0 110.691 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.549 ' HB2' ' O ' ' B' ' 12' ' ' THR . 1.4 tt0 -38.93 -63.53 0.52 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.118 -0.989 . . . . 10.0 109.87 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.0 -51.51 8.44 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.787 -1.725 . . . . 10.0 108.787 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.696 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.5 OUTLIER -42.19 -64.5 0.58 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.331 -1.1 . . . . 10.0 110.003 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.609 ' O ' ' HB2' ' B' ' 23' B LEU . 0.8 OUTLIER -48.74 -30.97 6.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 10.0 109.812 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.566 ' O ' ' HG3' ' B' ' 24' ' ' ARG . 56.1 t -78.51 -26.03 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.239 -0.913 . . . . 10.0 110.193 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.9 OUTLIER -89.97 -48.0 7.49 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.16 -0.963 . . . . 10.0 109.79 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 18' ' ' TYR . 2.8 t -65.34 -20.24 27.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.587 -0.696 . . . . 10.0 110.113 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.609 ' HB2' ' O ' ' B' ' 19' ' ' THR . 7.6 tt -85.25 -48.91 8.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.371 -0.83 . . . . 10.0 109.947 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' B' ' 20' ' ' VAL . 1.4 mtt-85 -69.04 -65.3 0.72 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 10.0 110.089 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.482 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -62.36 -30.92 71.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.261 -0.899 . . . . 10.0 110.079 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' B' ' 25' ' ' GLN . 1.7 mt-30 37.73 70.08 1.29 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.417 -0.802 . . . . 10.0 110.058 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.89 158.1 59.21 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.059 1.557 . . . . 10.0 110.633 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.456 ' HG2' ' OD1' ' B' ' 29' ' ' ASP . 42.8 Cg_endo -69.08 -21.32 36.82 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 O-C-N 124.12 1.59 . . . . 10.0 110.221 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.464 ' OD2' ' OD2' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -144.62 121.65 11.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.446 -0.784 . . . . 10.0 109.775 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.605 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.1 OUTLIER -70.1 -68.6 0.41 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 10.0 110.509 -179.71 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.605 ' C ' ' O ' ' B' ' 30' ' ' LEU . 5.5 t -22.99 -66.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.602 -0.686 . . . . 10.0 110.546 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.479 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -53.09 -49.52 66.27 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.547 -0.721 . . . . 10.0 109.53 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.591 ' N ' ' O ' ' B' ' 30' ' ' LEU . 89.6 t80 -54.72 -37.17 65.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 10.0 109.672 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.696 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -63.03 -49.35 74.93 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.332 -0.855 . . . . 10.0 110.069 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.557 HG22 ' N ' ' A' ' 39' ' ' THR . 88.4 t -62.88 -21.52 28.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 O-C-N 121.391 -0.818 . . . . 10.0 110.223 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 3.6 mt-10 -85.3 -49.72 7.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.332 -0.855 . . . . 10.0 110.223 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.464 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 41.0 t80 -62.66 -53.67 51.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 10.0 110.331 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 10.2 m-85 -62.75 -52.96 61.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.261 -0.899 . . . . 10.0 110.462 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.538 ' N ' HG22 ' A' ' 35' ' ' VAL . 5.0 m -48.18 -55.29 10.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.066 -1.021 . . . . 10.0 109.998 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -55.42 -30.59 60.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.241 -0.912 . . . . 10.0 110.13 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 0.8 OUTLIER -64.22 -52.83 56.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.139 -0.975 . . . . 10.0 109.933 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.182 -0.949 . . . . 10.0 109.9 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.189 0.519 . . . . 10.0 110.217 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -51.22 -32.95 25.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.92 . . . . 10.0 110.114 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -62.2 -55.36 29.31 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.343 -0.848 . . . . 10.0 110.089 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.583 HD13 HD23 ' B' ' 30' ' ' LEU . 8.2 mt -54.43 -58.23 8.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.268 -0.895 . . . . 10.0 110.132 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' GLN . 22.1 mt -51.68 -50.43 60.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 10.0 110.278 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -42.2 -58.08 2.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.166 -0.959 . . . . 10.0 109.916 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -44.6 -49.62 8.6 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.953 -1.659 . . . . 10.0 108.953 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.774 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -41.07 -63.28 0.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -1.076 . . . . 10.0 110.096 179.602 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.45 ' O ' HD12 ' A' ' 23' A LEU . 0.5 OUTLIER -48.83 -35.33 14.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.363 -0.836 . . . . 10.0 109.703 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.541 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 20.8 t -73.29 -25.47 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.386 -0.821 . . . . 10.0 110.038 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.575 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -90.96 -56.71 3.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.291 -0.881 . . . . 10.0 109.775 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 18' ' ' TYR . 3.4 t -49.45 -27.87 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 C-N-CA 120.158 -0.617 . . . . 10.0 109.977 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.45 HD12 ' O ' ' A' ' 19' ' ' THR . 87.2 mt -88.3 -36.0 16.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.355 -0.841 . . . . 10.0 110.0 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -77.42 -48.31 17.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.27 -0.894 . . . . 10.0 110.131 179.722 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.504 ' O ' ' C ' ' A' ' 26' ' ' GLN . 9.7 mm100 -88.26 -22.58 23.85 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.255 -0.903 . . . . 10.0 110.47 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.504 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.2 mm100 36.47 72.67 0.76 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 10.0 109.835 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.611 ' HG3' ' CG ' ' A' ' 33' ' ' PHE . 43.3 Cg_endo -68.92 160.66 48.9 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 O-C-N 124.106 1.582 . . . . 10.0 110.992 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.57 -14.53 36.84 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 124.223 1.643 . . . . 10.0 110.438 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -160.62 119.65 2.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.319 -0.863 . . . . 10.0 110.182 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.565 HD23 HD13 ' B' ' 14' ' ' LEU . 11.5 tp -58.23 -61.32 2.65 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.251 -0.905 . . . . 10.0 110.366 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 30' ' ' LEU . 23.1 t -33.63 -69.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.371 -0.831 . . . . 10.0 110.11 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -53.34 -42.42 66.76 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.495 -0.753 . . . . 10.0 110.063 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.675 ' CE2' HG22 ' A' ' 22' ' ' VAL . 26.5 t80 -60.46 -40.28 90.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.917 . . . . 10.0 109.852 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.774 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.76 -37.78 74.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.352 -0.842 . . . . 10.0 110.216 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' B' ' 38' ' ' PHE . 20.2 t -70.57 -48.48 58.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.315 -0.866 . . . . 10.0 110.31 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.1 mm-40 -54.1 -56.44 18.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.405 -0.809 . . . . 10.0 110.765 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.32 -58.68 7.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.986 . . . . 10.0 110.666 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.7 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 14.6 m-85 -60.04 -53.68 55.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.239 -0.913 . . . . 10.0 110.653 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.506 ' HA ' HG21 ' B' ' 35' ' ' VAL . 23.6 m -52.33 -37.31 55.58 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.063 -1.023 . . . . 10.0 110.329 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 5.9 mtp180 -79.47 -40.63 29.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.147 -0.971 . . . . 10.0 110.1 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -47.91 -29.27 3.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.198 -0.939 . . . . 10.0 110.126 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -45.16 80.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 10.0 109.957 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.435 ' OE1' ' HA ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 10.0 110.224 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.0 tp . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.187 0.518 . . . . 10.0 110.226 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 0.4 OUTLIER -51.61 -32.91 30.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.272 -0.893 . . . . 10.0 110.148 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.81 -55.23 32.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.875 . . . . 10.0 110.137 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.565 HD13 HD23 ' A' ' 30' ' ' LEU . 7.9 mt -54.52 -58.54 7.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.282 -0.886 . . . . 10.0 110.135 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' B' ' 16' ' ' GLN . 21.3 mt -51.36 -50.61 59.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.257 -0.902 . . . . 10.0 110.201 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.9 OUTLIER -42.14 -58.06 2.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 10.0 109.828 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.526 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -44.55 -49.89 8.45 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.899 -1.68 . . . . 10.0 108.899 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.766 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.6 OUTLIER -41.08 -63.34 0.69 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.411 -1.052 . . . . 10.0 110.153 179.673 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.443 ' O ' HD12 ' B' ' 23' B LEU . 0.5 OUTLIER -48.6 -35.48 13.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 10.0 109.661 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.542 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 20.8 t -73.1 -25.77 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.433 -0.792 . . . . 10.0 110.122 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.575 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.6 OUTLIER -90.59 -56.92 3.01 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.27 -0.894 . . . . 10.0 109.807 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 18' ' ' TYR . 3.4 t -49.23 -27.94 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.607 -0.683 . . . . 10.0 109.993 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.443 HD12 ' O ' ' B' ' 19' ' ' THR . 86.1 mt -88.31 -35.96 16.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.293 -0.879 . . . . 10.0 110.004 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.542 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -77.61 -48.31 17.19 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.3 -0.875 . . . . 10.0 110.07 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.507 ' O ' ' C ' ' B' ' 26' ' ' GLN . 9.7 mm100 -88.11 -22.67 23.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 10.0 110.394 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' B' ' 25' ' ' GLN . 5.0 mm100 36.6 72.89 0.74 Allowed Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.332 -0.855 . . . . 10.0 109.915 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.615 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 42.9 Cg_endo -69.07 160.37 50.17 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 O-C-N 124.013 1.533 . . . . 10.0 110.909 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.42 -14.45 37.19 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 O-C-N 124.085 1.571 . . . . 10.0 110.414 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -160.84 119.54 2.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.442 -0.786 . . . . 10.0 110.067 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.583 HD23 HD13 ' A' ' 14' ' ' LEU . 11.9 tp -58.29 -61.16 2.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.283 -0.885 . . . . 10.0 110.294 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.527 ' C ' ' O ' ' B' ' 30' ' ' LEU . 23.3 t -33.53 -69.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.45 -0.781 . . . . 10.0 110.164 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -53.73 -42.62 68.31 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.583 -0.698 . . . . 10.0 110.072 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.67 ' CE2' HG22 ' B' ' 22' ' ' VAL . 26.4 t80 -60.12 -40.78 90.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 10.0 109.778 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.766 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -57.07 -37.8 72.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.366 -0.834 . . . . 10.0 110.128 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.686 HG23 ' HB3' ' A' ' 38' ' ' PHE . 23.8 t -70.58 -48.97 55.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.278 -0.889 . . . . 10.0 110.366 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 1.2 mm-40 -53.58 -56.69 14.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.373 -0.83 . . . . 10.0 110.679 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.85 -58.81 6.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.206 -0.934 . . . . 10.0 110.654 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.708 ' HB3' HG23 ' A' ' 35' ' ' VAL . 15.3 m-85 -60.4 -53.2 60.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 10.0 110.697 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.501 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 24.3 m -52.8 -36.65 58.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.03 -1.044 . . . . 10.0 110.303 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 5.8 mtp180 -80.2 -40.66 26.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.186 -0.946 . . . . 10.0 110.097 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' B' ' 41' ' ' LEU . 0.2 OUTLIER -47.23 -31.75 3.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.192 -0.942 . . . . 10.0 110.133 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.228 -0.92 . . . . 10.0 110.069 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 11' ' ' LEU . 2.9 tm? . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.185 0.517 . . . . 10.0 110.563 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 13' ' ' GLU . 42.7 m -55.19 -73.47 0.05 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.237 -0.914 . . . . 10.0 110.506 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' N ' ' A' ' 14' ' ' LEU . 1.3 tt0 -38.88 -46.84 1.35 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.441 -0.787 . . . . 10.0 110.509 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.473 ' N ' ' HG2' ' A' ' 13' ' ' GLU . 6.3 tp -58.1 -66.59 0.46 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.086 -1.009 . . . . 10.0 110.434 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 16' ' ' GLN . 3.7 mp -45.5 -54.6 7.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.143 -0.973 . . . . 10.0 110.172 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.603 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -40.4 -55.85 2.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 10.0 109.815 179.673 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.558 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.46 -57.09 5.98 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 108.979 -1.648 . . . . 10.0 108.979 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.718 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -37.71 -63.97 0.42 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.407 -1.054 . . . . 10.0 110.285 179.776 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.805 ' O ' HD12 ' A' ' 23' A LEU . 0.6 OUTLIER -52.29 -33.11 40.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -0.932 . . . . 10.0 109.376 179.733 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 46.4 t -75.74 -23.38 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.509 -0.745 . . . . 10.0 110.29 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.558 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -94.03 -61.25 1.57 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.037 -1.039 . . . . 10.0 109.655 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 18' ' ' TYR . 8.5 t -47.6 -33.15 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.564 -0.71 . . . . 10.0 110.348 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.805 HD12 ' O ' ' A' ' 19' ' ' THR . 41.4 mt -86.38 -40.05 15.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.222 -0.924 . . . . 10.0 110.344 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -85.64 13.81 6.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.107 -0.996 . . . . 10.0 110.457 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' A' ' 26' ' ' GLN . 4.9 pt20 -165.1 20.68 0.05 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.105 -0.997 . . . . 10.0 110.611 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -3.35 91.08 0.03 OUTLIER Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.555 -0.716 . . . . 10.0 111.107 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 42.5 Cg_endo -68.78 170.19 15.93 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 124.069 1.562 . . . . 10.0 110.84 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.02 -33.57 19.08 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 O-C-N 124.146 1.603 . . . . 10.0 110.584 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.693 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -142.15 150.38 41.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.365 -0.834 . . . . 10.0 109.844 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 30' ' ' LEU . 1.6 tm? -90.62 -70.41 0.68 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.152 -0.967 . . . . 10.0 110.273 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.529 ' C ' ' O ' ' A' ' 30' ' ' LEU . 16.6 t -34.95 -65.39 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.387 -0.821 . . . . 10.0 109.915 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.69 -38.23 64.02 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.61 -0.681 . . . . 10.0 109.97 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 82.7 t80 -64.01 -38.68 91.94 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.147 -0.971 . . . . 10.0 109.814 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.718 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -65.57 -23.87 66.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 10.0 109.826 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.578 HG21 ' CA ' ' B' ' 39' ' ' THR . 3.0 t -89.68 -50.64 12.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.364 -0.835 . . . . 10.0 110.184 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -57.43 -35.13 69.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 10.0 109.851 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 22.7 t80 -73.83 -58.56 3.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 10.0 110.259 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 21.7 m-85 -65.27 -41.82 93.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 10.0 110.305 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.633 ' CA ' HG21 ' B' ' 35' ' ' VAL . 51.6 m -52.3 -41.85 63.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.067 -1.021 . . . . 10.0 110.061 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 14.2 mtm180 -71.74 -39.48 70.03 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.204 -0.935 . . . . 10.0 109.872 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.39 -43.71 44.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.317 -0.864 . . . . 10.0 110.092 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.518 ' HG2' HG12 ' B' ' 31' ' ' VAL . 16.3 mmm-85 -51.62 -28.85 15.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.2 -0.938 . . . . 10.0 110.153 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.284 -0.885 . . . . 10.0 110.599 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.62 HD13 ' C ' ' B' ' 11' ' ' LEU . 2.9 tm? . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.183 0.516 . . . . 10.0 110.599 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.436 ' O ' ' C ' ' B' ' 13' ' ' GLU . 50.3 m -53.71 -73.53 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.265 -0.897 . . . . 10.0 110.498 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' B' ' 14' ' ' LEU . 1.3 tt0 -38.95 -46.83 1.37 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.502 -0.749 . . . . 10.0 110.625 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.476 ' N ' ' HG2' ' B' ' 13' ' ' GLU . 6.5 tp -58.28 -66.06 0.55 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.107 -0.996 . . . . 10.0 110.407 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' B' ' 16' ' ' GLN . 3.9 mp -45.89 -54.32 8.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.164 -0.96 . . . . 10.0 110.164 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.619 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.0 OUTLIER -40.55 -55.59 2.28 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 10.0 109.811 179.73 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.557 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.55 -57.42 5.86 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.869 -1.693 . . . . 10.0 108.869 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.779 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.7 OUTLIER -37.19 -64.13 0.39 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.469 -1.018 . . . . 10.0 110.364 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.816 ' O ' HD12 ' B' ' 23' B LEU . 0.6 OUTLIER -52.45 -33.45 44.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.168 -0.957 . . . . 10.0 109.385 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.619 HG23 ' O ' ' B' ' 16' ' ' GLN . 45.0 t -75.26 -23.59 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.48 -0.762 . . . . 10.0 110.289 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.557 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.2 OUTLIER -94.02 -62.23 1.38 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.073 -1.017 . . . . 10.0 109.673 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.468 ' H ' HG23 ' B' ' 22' ' ' VAL . 10.0 t -46.72 -33.12 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.596 -0.69 . . . . 10.0 110.352 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.816 HD12 ' O ' ' B' ' 19' ' ' THR . 41.8 mt -86.41 -40.07 15.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.12 -0.988 . . . . 10.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -85.51 13.94 6.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.207 -0.933 . . . . 10.0 110.477 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' B' ' 26' ' ' GLN . 5.1 pt20 -165.29 20.84 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.125 -0.985 . . . . 10.0 110.589 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER -3.71 91.19 0.03 OUTLIER Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 121.597 -0.689 . . . . 10.0 111.092 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' B' ' 22' ' ' VAL . 43.3 Cg_endo -68.88 170.23 15.98 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 124.054 1.555 . . . . 10.0 110.792 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.26 -32.64 20.21 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 O-C-N 124.065 1.56 . . . . 10.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.696 ' O ' ' HB2' ' B' ' 33' ' ' PHE . 0.5 OUTLIER -142.87 150.2 39.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 10.0 109.867 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.638 HD13 ' C ' ' B' ' 30' ' ' LEU . 1.7 tm? -90.66 -70.11 0.69 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.054 -1.029 . . . . 10.0 110.301 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.525 ' C ' ' O ' ' B' ' 30' ' ' LEU . 15.5 t -35.1 -65.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.401 -0.812 . . . . 10.0 109.981 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -54.15 -38.28 65.33 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.596 -0.69 . . . . 10.0 109.997 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.696 ' HB2' ' O ' ' B' ' 29' ' ' ASP . 82.6 t80 -63.96 -39.0 93.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.278 -0.889 . . . . 10.0 109.749 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.779 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -64.79 -23.99 67.41 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.362 -0.836 . . . . 10.0 109.792 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.633 HG21 ' CA ' ' A' ' 39' ' ' THR . 3.3 t -90.1 -51.3 12.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.348 -0.845 . . . . 10.0 110.324 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -56.63 -34.54 67.37 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.258 -0.901 . . . . 10.0 109.826 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.481 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 22.4 t80 -74.51 -59.06 2.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.199 -0.938 . . . . 10.0 110.209 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 21.6 m-85 -64.89 -42.08 95.07 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.174 -0.954 . . . . 10.0 110.368 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.578 ' CA ' HG21 ' A' ' 35' ' ' VAL . 55.0 m -52.39 -41.92 63.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.165 -0.959 . . . . 10.0 110.058 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' B' ' 36' ' ' GLU . 13.3 mtm180 -71.45 -39.47 70.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.23 -0.918 . . . . 10.0 109.786 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.55 -42.82 45.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.291 -0.881 . . . . 10.0 110.11 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.421 ' HG2' HG12 ' A' ' 31' ' ' VAL . 14.9 mmm-85 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.937 . . . . 10.0 110.203 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.447 HD13 HD11 ' B' ' 30' ' ' LEU . 22.4 tp . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.193 0.521 . . . . 10.0 110.267 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.478 ' CG2' ' OE1' ' A' ' 16' ' ' GLN . 3.4 m -61.25 -64.01 1.09 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.27 -0.894 . . . . 10.0 110.392 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.7 tp10 -39.09 -55.79 1.55 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.508 -0.745 . . . . 10.0 110.387 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.7 -68.51 0.19 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.207 -0.933 . . . . 10.0 110.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.497 ' HG ' ' HG ' ' B' ' 15' ' ' LEU . 7.6 mp -59.15 -55.54 33.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.904 . . . . 10.0 110.417 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.478 ' OE1' ' CG2' ' A' ' 12' ' ' THR . 1.9 tt0 -40.77 -55.48 2.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.316 -0.865 . . . . 10.0 109.905 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -45.62 -53.69 8.23 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.071 -1.612 . . . . 10.0 109.071 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.698 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -39.84 -62.29 0.73 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.418 -1.048 . . . . 10.0 110.312 179.741 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -49.64 -32.21 12.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.931 . . . . 10.0 109.748 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.543 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 41.4 t -76.91 -22.65 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.424 -0.797 . . . . 10.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.541 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -95.12 -54.79 3.3 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.069 -1.019 . . . . 10.0 109.699 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 18' ' ' TYR . 4.5 t -53.93 -29.54 18.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.598 -0.689 . . . . 10.0 110.115 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 19' ' ' THR . 43.5 mt -90.05 -37.51 14.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.249 -0.907 . . . . 10.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 0.4 OUTLIER -83.86 38.17 0.63 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.193 -0.942 . . . . 10.0 110.167 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.562 ' HG3' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER 177.29 -28.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 10.0 109.813 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.562 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 40.21 86.85 0.12 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.347 -0.845 . . . . 10.0 110.586 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -71.58 165.26 33.06 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 O-C-N 123.833 1.438 . . . . 10.0 110.354 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.93 -22.78 35.51 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 123.929 1.489 . . . . 10.0 110.043 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.492 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 45.3 m-20 -151.11 118.26 5.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.467 -0.771 . . . . 10.0 109.652 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -65.32 -62.06 1.75 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.161 -0.962 . . . . 10.0 110.498 -179.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.3 t -33.32 -67.16 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.527 -0.733 . . . . 10.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.577 ' HB2' ' CZ ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -53.33 -36.7 61.59 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.527 -0.733 . . . . 10.0 109.947 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 92.9 t80 -66.88 -35.93 81.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.23 -0.919 . . . . 10.0 109.705 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.698 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -63.84 -33.67 76.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.434 -0.791 . . . . 10.0 110.032 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.588 ' O ' ' HB ' ' A' ' 39' ' ' THR . 12.0 t -76.65 -42.64 34.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 O-C-N 121.337 -0.852 . . . . 10.0 109.748 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 7.8 mt-10 -64.58 -37.9 89.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 10.0 110.549 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -65.38 -60.98 2.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.037 -1.039 . . . . 10.0 110.765 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.527 ' HB3' HG23 ' B' ' 35' ' ' VAL . 38.1 m-85 -65.25 -58.43 5.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.249 -0.907 . . . . 10.0 110.9 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 11.5 m -40.83 -41.31 1.55 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.066 -1.021 . . . . 10.0 110.173 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.588 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -70.09 -43.22 71.55 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.082 -1.011 . . . . 10.0 109.87 179.705 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 9.7 mt -44.62 -38.46 4.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.287 -0.883 . . . . 10.0 109.745 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.57 ' HD2' HG12 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -59.7 -32.47 70.54 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.276 -0.89 . . . . 10.0 109.7 179.575 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 40' ' ' ARG . 12.1 mt-10 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.404 -0.81 . . . . 10.0 110.163 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.526 HD13 HD11 ' A' ' 30' ' ' LEU . 21.6 tp . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.193 0.52 . . . . 10.0 110.294 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.491 ' CG2' ' OE1' ' B' ' 16' ' ' GLN . 3.3 m -61.23 -64.18 1.04 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.339 -0.85 . . . . 10.0 110.376 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.8 tp10 -38.88 -55.99 1.44 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.642 -0.661 . . . . 10.0 110.426 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.57 -68.67 0.18 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 10.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.497 ' HG ' ' HG ' ' A' ' 15' ' ' LEU . 7.9 mp -59.11 -55.29 36.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 10.0 110.453 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.491 ' OE1' ' CG2' ' B' ' 12' ' ' THR . 1.9 tt0 -40.9 -55.45 2.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.171 -0.956 . . . . 10.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 20' ' ' VAL . . . -45.85 -53.78 8.5 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.082 -1.607 . . . . 10.0 109.082 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.692 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.9 OUTLIER -39.57 -62.24 0.71 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.442 -1.034 . . . . 10.0 110.311 179.704 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -49.69 -32.12 12.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.284 -0.885 . . . . 10.0 109.835 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.543 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 40.7 t -77.07 -22.7 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 10.0 110.241 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.542 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.2 OUTLIER -94.95 -54.67 3.37 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.981 -1.074 . . . . 10.0 109.754 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 18' ' ' TYR . 4.5 t -54.07 -29.62 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.664 -0.647 . . . . 10.0 110.091 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.463 ' HB2' ' O ' ' B' ' 19' ' ' THR . 43.4 mt -89.98 -37.22 14.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.165 -0.959 . . . . 10.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.543 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.4 OUTLIER -83.91 37.43 0.6 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.098 -1.001 . . . . 10.0 110.256 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.57 ' HG3' ' N ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER 178.02 -28.68 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.324 -0.86 . . . . 10.0 109.856 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.57 ' N ' ' HG3' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 40.37 86.51 0.13 Allowed Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.341 -0.849 . . . . 10.0 110.665 179.614 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.38 165.32 32.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 O-C-N 123.948 1.499 . . . . 10.0 110.276 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.23 -22.99 33.71 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 O-C-N 123.899 1.473 . . . . 10.0 110.039 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.48 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 45.0 m-20 -150.91 117.97 5.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.387 -0.821 . . . . 10.0 109.737 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.536 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.2 OUTLIER -65.08 -62.44 1.55 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 10.0 110.354 -179.524 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.57 HG12 ' HD2' ' A' ' 42' ' ' ARG . 18.0 t -33.02 -67.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.452 -0.78 . . . . 10.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -52.82 -36.87 59.24 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.527 -0.733 . . . . 10.0 109.894 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' B' ' 30' ' ' LEU . 92.5 t80 -66.87 -35.99 81.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.323 -0.86 . . . . 10.0 109.701 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.692 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -63.52 -33.83 76.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.379 -0.826 . . . . 10.0 109.945 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.582 ' O ' ' HB ' ' B' ' 39' ' ' THR . 13.3 t -77.01 -42.68 32.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.34 -0.85 . . . . 10.0 109.616 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 7.2 mt-10 -64.19 -38.28 90.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 10.0 110.478 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -65.01 -60.88 2.55 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.021 -1.049 . . . . 10.0 110.829 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.556 ' HB3' HG23 ' A' ' 35' ' ' VAL . 39.2 m-85 -65.35 -58.52 5.7 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.154 -0.966 . . . . 10.0 110.821 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.582 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 8.5 m -40.79 -41.45 1.57 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.968 -1.083 . . . . 10.0 110.087 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -70.04 -43.53 71.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 10.0 109.833 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 9.3 mt -44.25 -38.47 3.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 10.0 109.681 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.91 . . . . 10.0 109.777 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.274 0.559 . . . . 10.0 110.038 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 1.3 m -53.27 -25.19 13.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.907 . . . . 10.0 110.237 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -75.84 -63.07 1.39 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 10.0 110.355 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.748 HD22 HD23 ' B' ' 30' ' ' LEU . 0.6 OUTLIER -46.26 -51.21 14.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.163 -0.961 . . . . 10.0 110.334 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 15' ' ' LEU . 5.7 mt -60.43 -51.59 68.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.169 -0.957 . . . . 10.0 110.098 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.595 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -42.94 -50.6 5.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.212 -0.93 . . . . 10.0 109.727 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -53.08 -59.65 9.16 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.156 -1.578 . . . . 10.0 109.156 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.805 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -40.02 -58.59 1.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.384 -1.068 . . . . 10.0 110.105 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.99 -41.1 46.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.859 . . . . 10.0 109.618 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 16' ' ' GLN . 49.6 t -70.41 -27.81 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.358 -0.839 . . . . 10.0 110.217 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -88.34 -67.81 0.81 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.119 -0.988 . . . . 10.0 109.538 179.594 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 18' ' ' TYR . 6.2 t -41.55 -25.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.615 -0.678 . . . . 10.0 110.09 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' GLU . 3.5 tp -89.97 -32.78 16.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.273 -0.892 . . . . 10.0 110.466 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.548 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -87.89 11.96 14.37 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.185 -0.947 . . . . 10.0 110.806 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.659 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -168.54 44.15 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.941 -1.099 . . . . 10.0 110.606 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.659 ' C ' ' O ' ' A' ' 25' ' ' GLN . 4.4 mm-40 -14.17 94.69 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.643 -0.661 . . . . 10.0 110.904 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.612 ' HD3' ' OE1' ' A' ' 25' ' ' GLN . 46.3 Cg_endo -70.9 147.32 55.29 Favored 'Trans proline' 0 C--N 1.301 -1.935 0 O-C-N 124.471 1.774 . . . . 10.0 110.856 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.06 -20.29 33.63 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 123.995 1.524 . . . . 10.0 109.989 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 29' ' ' ASP . 4.5 p30 -160.05 116.69 2.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.375 -0.828 . . . . 10.0 109.99 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.705 HD23 HD22 ' B' ' 14' ' ' LEU . 6.3 tp -64.66 -66.24 0.57 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.239 -0.913 . . . . 10.0 110.28 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.62 ' C ' ' O ' ' A' ' 30' ' ' LEU . 10.0 t -25.37 -62.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 CA-C-O 121.572 0.701 . . . . 10.0 110.25 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.93 -53.03 62.67 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.663 -0.648 . . . . 10.0 109.646 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -52.24 -65.69 0.51 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.139 -0.976 . . . . 10.0 108.854 178.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.805 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -43.39 -32.01 0.77 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.464 -0.772 . . . . 10.0 109.99 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.566 HG22 ' OG1' ' B' ' 39' ' ' THR . 2.4 t -83.18 -55.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 O-C-N 121.122 -0.986 . . . . 10.0 110.07 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -36.84 68.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.285 -0.885 . . . . 10.0 110.007 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.486 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 70.4 t80 -72.63 -64.22 1.0 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.186 -0.946 . . . . 10.0 110.459 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CE1' HD23 ' A' ' 14' ' ' LEU . 11.1 m-85 -56.94 -55.69 31.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.238 -0.914 . . . . 10.0 110.442 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.563 ' OG1' HG22 ' B' ' 35' ' ' VAL . 18.8 m -48.02 -53.38 16.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.0 -1.063 . . . . 10.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -63.43 -23.45 67.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.261 -0.899 . . . . 10.0 110.016 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -30.8 62.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.844 . . . . 10.0 110.068 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.494 ' HG2' HG11 ' B' ' 31' ' ' VAL . 0.9 OUTLIER -59.84 -18.07 41.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.265 -0.897 . . . . 10.0 110.138 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.271 -0.893 . . . . 10.0 110.242 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.353 0.597 . . . . 10.0 110.094 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.5 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 1.4 m -53.91 -24.79 17.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 10.0 110.247 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -76.35 -62.14 1.72 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.244 -0.91 . . . . 10.0 110.313 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.705 HD22 HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -47.1 -50.37 20.15 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.216 -0.928 . . . . 10.0 110.352 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.463 ' N ' HD23 ' B' ' 15' ' ' LEU . 5.6 mt -61.23 -51.71 67.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 10.0 110.168 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.609 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.0 OUTLIER -42.84 -50.29 5.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.281 -0.887 . . . . 10.0 109.77 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -53.38 -59.86 9.01 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.144 -1.583 . . . . 10.0 109.144 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.81 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.4 OUTLIER -39.93 -58.58 1.37 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.408 -1.054 . . . . 10.0 110.057 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.07 -41.05 47.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.237 -0.914 . . . . 10.0 109.651 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 16' ' ' GLN . 49.1 t -70.41 -27.69 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.392 -0.818 . . . . 10.0 110.171 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' B' ' 17' ' ' GLY . 0.8 OUTLIER -88.45 -67.99 0.8 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.193 -0.942 . . . . 10.0 109.478 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 18' ' ' TYR . 5.9 t -41.41 -25.44 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.637 -0.664 . . . . 10.0 110.15 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.479 ' N ' ' O ' ' B' ' 21' ' ' GLU . 3.3 tp -90.24 -32.76 16.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 10.0 110.369 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -87.55 11.77 14.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.101 -0.999 . . . . 10.0 110.817 -179.571 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.663 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -168.38 44.0 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.072 -1.017 . . . . 10.0 110.641 179.622 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.663 ' C ' ' O ' ' B' ' 25' ' ' GLN . 4.5 mm-40 -14.19 94.78 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.948 0 O-C-N 121.606 -0.684 . . . . 10.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.615 ' HD3' ' OE1' ' B' ' 25' ' ' GLN . 46.0 Cg_endo -70.78 147.45 56.33 Favored 'Trans proline' 0 C--N 1.3 -1.984 0 O-C-N 124.474 1.776 . . . . 10.0 110.916 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.1 -20.12 33.66 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.031 1.543 . . . . 10.0 110.003 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' B' ' 29' ' ' ASP . 4.7 p30 -160.35 116.49 2.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.455 -0.778 . . . . 10.0 110.012 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.748 HD23 HD22 ' A' ' 14' ' ' LEU . 6.4 tp -64.29 -66.29 0.56 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.23 -0.919 . . . . 10.0 110.437 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.617 ' C ' ' O ' ' B' ' 30' ' ' LEU . 10.0 t -25.16 -63.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.521 -0.737 . . . . 10.0 110.253 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -53.17 61.06 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.686 -0.634 . . . . 10.0 109.563 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' B' ' 30' ' ' LEU . 0.8 OUTLIER -52.04 -65.81 0.49 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.2 -0.938 . . . . 10.0 108.86 178.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.81 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -43.21 -31.91 0.67 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 10.0 110.047 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.563 HG22 ' OG1' ' A' ' 39' ' ' THR . 2.4 t -83.39 -55.82 6.69 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 O-C-N 121.164 -0.96 . . . . 10.0 110.063 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -36.21 67.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.281 -0.887 . . . . 10.0 110.077 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.481 ' HB2' ' CE1' ' B' ' 33' ' ' PHE . 70.3 t80 -73.25 -64.0 1.07 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.286 -0.884 . . . . 10.0 110.403 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.445 ' CE1' HD23 ' B' ' 14' ' ' LEU . 11.1 m-85 -57.32 -55.29 36.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 10.0 110.473 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.566 ' OG1' HG22 ' A' ' 35' ' ' VAL . 18.8 m -48.33 -53.07 18.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.986 -1.071 . . . . 10.0 110.038 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -64.05 -23.3 67.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 10.0 110.024 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.9 -29.77 62.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.35 -0.844 . . . . 10.0 110.047 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.5 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 10.0 110.187 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.655 HD22 ' HG ' ' B' ' 30' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.28 0.562 . . . . 10.0 110.022 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 4.7 m -69.19 -25.7 64.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.864 . . . . 10.0 110.281 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -75.72 -43.12 48.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 10.0 110.305 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.28 -45.67 92.24 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.289 -0.882 . . . . 10.0 110.377 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.472 ' HG ' ' HG ' ' B' ' 15' ' ' LEU . 4.9 mp -66.31 -60.53 2.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.868 . . . . 10.0 110.616 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -38.28 -66.16 0.29 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.189 -0.944 . . . . 10.0 110.102 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.535 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.96 -46.54 14.55 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.985 -1.646 . . . . 10.0 108.985 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.764 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -43.87 -62.21 1.19 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.378 -1.072 . . . . 10.0 110.181 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -51.18 -32.42 23.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.374 -0.829 . . . . 10.0 110.103 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 16' ' ' GLN . 16.3 t -74.55 -22.18 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.184 -0.947 . . . . 10.0 110.4 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.7 OUTLIER -91.64 -56.55 3.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.071 -1.018 . . . . 10.0 109.637 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.645 HG22 ' CE2' ' A' ' 33' ' ' PHE . 3.5 t -51.17 -28.8 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.649 -0.657 . . . . 10.0 110.174 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 19' ' ' THR . 2.7 mt -89.17 -33.91 16.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 10.0 109.924 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 3.3 tpt180 -73.36 -68.8 0.47 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 10.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.508 ' HG3' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -77.64 -26.26 50.33 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.183 -0.948 . . . . 10.0 110.24 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 42.91 74.73 0.72 Allowed Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.178 -0.952 . . . . 10.0 110.155 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.508 ' HD3' ' HG3' ' A' ' 25' ' ' GLN . 44.6 Cg_endo -70.67 170.49 17.54 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 124.116 1.588 . . . . 10.0 110.564 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.66 -49.41 0.58 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 124.046 1.55 . . . . 10.0 110.549 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.41 147.06 44.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.235 -0.916 . . . . 10.0 110.182 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.614 HD13 ' O ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -85.38 -47.59 9.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.293 -0.879 . . . . 10.0 109.901 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.449 HG23 ' H ' ' A' ' 31' ' ' VAL . 12.7 t -43.51 -68.96 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 10.0 109.723 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -49.69 -36.2 24.31 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.518 -0.739 . . . . 10.0 109.909 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.733 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 17.2 t80 -66.72 -43.52 84.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.933 . . . . 10.0 109.591 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.767 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -60.25 -30.88 69.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.425 -0.797 . . . . 10.0 109.821 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.694 HG21 ' HA ' ' B' ' 39' ' ' THR . 24.2 t -83.69 -31.27 8.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 121.332 -0.855 . . . . 10.0 110.274 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.527 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -77.26 -36.11 54.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.291 -0.88 . . . . 10.0 110.427 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.527 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 52.3 t80 -73.39 -58.17 3.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.17 -0.956 . . . . 10.0 110.599 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.718 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 20.9 m-85 -61.34 -52.79 63.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.175 -0.953 . . . . 10.0 110.522 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.668 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 3.8 m -48.63 -53.33 19.01 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.993 -1.067 . . . . 10.0 109.528 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' O ' ' HB3' ' A' ' 43' ' ' GLU . 67.6 ttt180 -57.72 -25.8 60.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.82 . . . . 10.0 109.826 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -61.37 -40.59 94.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 10.0 109.765 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.405 ' NH1' ' CG ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -53.5 -25.15 15.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.335 -0.853 . . . . 10.0 110.273 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.495 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.242 -0.911 . . . . 10.0 109.895 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.501 HD22 ' HG ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.295 0.569 . . . . 10.0 110.032 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 4.7 m -69.44 -26.05 64.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.26 -0.9 . . . . 10.0 110.3 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -75.54 -43.5 48.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.913 . . . . 10.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.535 ' CD2' HD12 ' A' ' 30' ' ' LEU . 5.2 mp -61.82 -46.2 90.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.22 -0.925 . . . . 10.0 110.394 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.472 ' HG ' ' HG ' ' A' ' 15' ' ' LEU . 4.9 mp -65.87 -60.48 2.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.272 -0.892 . . . . 10.0 110.571 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -38.12 -66.36 0.27 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.312 -0.868 . . . . 10.0 110.135 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.96 -46.72 14.65 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.977 -1.649 . . . . 10.0 108.977 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.758 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.4 OUTLIER -43.57 -62.08 1.19 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.411 -1.053 . . . . 10.0 110.159 179.704 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -51.38 -32.37 25.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.41 -0.806 . . . . 10.0 110.015 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 16' ' ' GLN . 16.5 t -74.75 -22.29 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.908 . . . . 10.0 110.437 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.7 OUTLIER -91.4 -56.54 3.09 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.197 -0.94 . . . . 10.0 109.688 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.649 HG22 ' CE2' ' B' ' 33' ' ' PHE . 3.4 t -51.14 -29.07 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.594 -0.691 . . . . 10.0 110.175 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.527 ' HB2' ' O ' ' B' ' 19' ' ' THR . 2.8 mt -88.93 -33.69 17.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.102 -0.999 . . . . 10.0 109.926 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 3.4 tpt180 -73.56 -68.52 0.5 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.354 -0.841 . . . . 10.0 110.32 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.506 ' HG3' ' HD3' ' B' ' 27' ' ' PRO . 0.0 OUTLIER -77.85 -26.29 49.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.183 -0.948 . . . . 10.0 110.155 -179.774 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 42.99 74.68 0.74 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.178 -0.951 . . . . 10.0 110.241 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.506 ' HD3' ' HG3' ' B' ' 25' ' ' GLN . 45.0 Cg_endo -70.67 170.2 18.24 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 O-C-N 124.118 1.588 . . . . 10.0 110.522 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.64 -49.18 0.6 Allowed 'Trans proline' 0 C--N 1.304 -1.776 0 O-C-N 124.05 1.552 . . . . 10.0 110.631 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.57 146.79 45.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.253 -0.904 . . . . 10.0 110.188 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.655 ' HG ' HD22 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -85.19 -47.48 10.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.335 -0.853 . . . . 10.0 109.966 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.438 HG23 ' H ' ' B' ' 31' ' ' VAL . 12.4 t -43.6 -69.0 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.204 -0.935 . . . . 10.0 109.743 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -49.71 -36.03 23.97 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.618 -0.676 . . . . 10.0 109.885 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.723 ' CE2' ' CE1' ' B' ' 18' ' ' TYR . 17.2 t80 -66.89 -42.79 84.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 10.0 109.581 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.758 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -61.11 -30.99 70.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.391 -0.818 . . . . 10.0 109.859 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.662 ' O ' ' HB ' ' B' ' 39' ' ' THR . 22.3 t -83.6 -29.9 7.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.381 -0.824 . . . . 10.0 110.249 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.541 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -78.8 -35.61 44.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.321 -0.862 . . . . 10.0 110.461 -179.667 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.541 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 51.1 t80 -74.04 -57.3 4.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.199 -0.938 . . . . 10.0 110.556 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.767 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 21.2 m-85 -62.34 -50.98 69.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.167 -0.958 . . . . 10.0 110.448 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.694 ' HA ' HG21 ' A' ' 35' ' ' VAL . 3.6 m -49.69 -53.17 26.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.929 -1.107 . . . . 10.0 109.494 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -58.15 -25.15 61.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.466 -0.771 . . . . 10.0 109.886 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' B' ' 41' ' ' LEU . 0.0 OUTLIER -61.9 -41.24 97.67 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.245 -0.91 . . . . 10.0 109.772 179.688 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.33 -0.856 . . . . 10.0 110.296 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.577 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 2.6 tm? . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.187 0.517 . . . . 10.0 110.024 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.628 HG22 ' N ' ' A' ' 13' ' ' GLU . 2.4 m -54.43 -78.0 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.304 -0.873 . . . . 10.0 110.588 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.628 ' N ' HG22 ' A' ' 12' ' ' THR . 1.5 mm-40 -34.4 -55.85 0.52 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.586 -0.696 . . . . 10.0 110.642 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -36.77 74.75 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.17 -0.956 . . . . 10.0 110.18 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.644 HD21 HD21 ' B' ' 15' ' ' LEU . 0.2 OUTLIER -69.48 -70.87 0.25 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.172 -0.955 . . . . 10.0 110.286 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.867 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.9 mt-30 -41.09 -32.91 0.28 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.373 -0.829 . . . . 10.0 110.149 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -65.41 -53.49 32.07 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.191 -1.563 . . . . 10.0 109.191 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.788 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -69.3 -34.94 75.46 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.316 -1.108 . . . . 10.0 109.343 179.378 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -64.81 -39.96 94.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.341 -0.849 . . . . 10.0 109.668 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 16' ' ' GLN . 66.9 t -64.13 -29.13 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.311 -0.868 . . . . 10.0 109.698 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.73 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -71.28 -34.38 70.62 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.249 -0.907 . . . . 10.0 109.029 179.418 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.6 t -73.04 -55.92 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.703 -0.623 . . . . 10.0 109.816 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.487 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -55.85 -19.02 10.15 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.108 -0.995 . . . . 10.0 109.643 179.485 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -49.14 6.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.426 -0.796 . . . . 10.0 110.143 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' GLN . 14.5 mm-40 -89.57 -21.24 22.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 10.0 110.465 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.8 OUTLIER 43.41 64.15 7.0 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.141 -0.974 . . . . 10.0 110.093 -179.83 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.605 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -69.97 151.1 67.74 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.083 1.57 . . . . 10.0 110.707 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.73 -23.4 31.0 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 123.996 1.524 . . . . 10.0 110.219 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -134.26 125.06 26.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.371 -0.831 . . . . 10.0 110.059 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.015 ' CD1' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -80.7 -66.26 0.91 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.228 -0.92 . . . . 10.0 110.402 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.618 ' C ' ' O ' ' A' ' 30' ' ' LEU . 6.9 t -21.49 -56.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-O 121.598 0.714 . . . . 10.0 110.577 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.8 t0 -66.51 -50.72 62.28 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.591 -0.693 . . . . 10.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.605 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 17.3 t80 -58.54 -51.98 67.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.046 -1.034 . . . . 10.0 109.765 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.015 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . . . -56.2 -28.66 59.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.355 -0.84 . . . . 10.0 109.822 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.65 HG23 ' HB3' ' B' ' 38' ' ' PHE . 2.4 t -87.33 -51.72 12.46 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 O-C-N 121.28 -0.888 . . . . 10.0 110.068 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -48.35 -38.61 19.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.107 -0.996 . . . . 10.0 110.228 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.536 ' CD2' ' OE1' ' A' ' 21' ' ' GLU . 5.6 t80 -74.89 -62.5 1.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.159 -0.963 . . . . 10.0 110.325 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.625 ' HB3' HG23 ' B' ' 35' ' ' VAL . 12.0 m-85 -61.44 -48.72 79.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.296 -0.877 . . . . 10.0 110.391 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.612 ' HA ' HG21 ' B' ' 35' ' ' VAL . 44.6 m -52.45 -44.42 65.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.098 -1.001 . . . . 10.0 109.699 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -63.19 -27.12 69.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.322 -0.861 . . . . 10.0 109.8 179.602 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HA ' HD12 ' A' ' 41' ' ' LEU . 12.9 tp -68.93 -35.83 77.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.386 -0.821 . . . . 10.0 109.982 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.424 ' HD3' ' CG ' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -52.38 -32.89 40.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.26 -0.9 . . . . 10.0 109.993 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.379 -0.825 . . . . 10.0 109.97 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' B' ' 15' ' ' LEU . 2.6 tm? . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.252 0.549 . . . . 10.0 110.091 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.606 HG22 ' N ' ' B' ' 13' ' ' GLU . 2.7 m -54.63 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.366 -0.834 . . . . 10.0 110.607 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.606 ' N ' HG22 ' B' ' 12' ' ' THR . 1.5 mm-40 -34.4 -55.78 0.52 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.516 -0.74 . . . . 10.0 110.604 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -36.52 74.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.11 -0.994 . . . . 10.0 110.184 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.644 HD21 HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.69 -70.91 0.26 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.21 -0.931 . . . . 10.0 110.222 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.867 ' O ' HG23 ' B' ' 20' ' ' VAL . 1.6 mt-30 -41.01 -32.68 0.25 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.257 -0.902 . . . . 10.0 110.108 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -65.85 -53.5 30.44 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.093 -1.603 . . . . 10.0 109.093 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.79 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.0 OUTLIER -69.28 -34.65 75.06 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.243 -1.151 . . . . 10.0 109.375 179.427 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -65.08 -40.05 94.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.278 -0.889 . . . . 10.0 109.755 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 16' ' ' GLN . 65.5 t -64.08 -28.83 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.389 -0.819 . . . . 10.0 109.662 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.727 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.8 OUTLIER -71.68 -33.9 69.22 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.22 -0.925 . . . . 10.0 109.085 179.427 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.79 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.6 t -73.37 -56.05 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.7 -0.625 . . . . 10.0 109.905 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.495 ' O ' ' NE2' ' B' ' 26' ' ' GLN . 0.5 OUTLIER -55.62 -19.53 10.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 10.0 109.594 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -49.51 6.74 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.393 -0.817 . . . . 10.0 110.239 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' B' ' 26' ' ' GLN . 14.9 mm-40 -89.08 -21.78 23.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.226 -0.921 . . . . 10.0 110.463 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' B' ' 22' ' ' VAL . 0.7 OUTLIER 44.11 63.92 7.76 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.242 -0.911 . . . . 10.0 110.06 -179.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.604 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 44.6 Cg_endo -69.91 150.91 67.94 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 O-C-N 124.075 1.566 . . . . 10.0 110.671 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.88 -23.39 30.32 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 123.994 1.523 . . . . 10.0 110.142 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -133.9 124.68 26.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.353 -0.842 . . . . 10.0 110.016 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 1.02 ' CD1' ' HB2' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -80.42 -66.35 0.89 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 10.0 110.416 -179.826 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.615 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.5 t -21.51 -57.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 CA-C-O 121.623 0.725 . . . . 10.0 110.694 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' B' ' 30' ' ' LEU . 5.3 t0 -66.18 -50.85 62.46 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.571 -0.706 . . . . 10.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.604 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 17.5 t80 -58.41 -52.15 66.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.096 -1.002 . . . . 10.0 109.831 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 1.02 ' HB2' ' CD1' ' B' ' 30' ' ' LEU . . . -56.08 -28.78 59.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 10.0 109.889 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.625 HG23 ' HB3' ' A' ' 38' ' ' PHE . 2.4 t -87.28 -51.69 12.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 O-C-N 121.312 -0.867 . . . . 10.0 110.085 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -48.22 -38.88 19.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.113 -0.992 . . . . 10.0 110.194 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.536 ' CD2' ' OE1' ' B' ' 21' ' ' GLU . 5.6 t80 -74.87 -61.96 1.71 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 10.0 110.318 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.65 ' HB3' HG23 ' A' ' 35' ' ' VAL . 11.8 m-85 -61.86 -48.58 79.88 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.922 . . . . 10.0 110.362 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.586 ' HA ' HG21 ' A' ' 35' ' ' VAL . 38.9 m -52.76 -44.16 66.3 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.986 -1.071 . . . . 10.0 109.641 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.5 OUTLIER -63.44 -26.73 68.86 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 10.0 109.75 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.468 ' HA ' HD12 ' B' ' 41' ' ' LEU . 13.2 tp -69.41 -35.7 76.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.346 -0.846 . . . . 10.0 109.977 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.418 ' HD3' ' CG ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.867 . . . . 10.0 110.059 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.702 ' CD2' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.368 0.604 . . . . 10.0 110.068 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.649 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 7.3 m -62.21 -26.19 68.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 10.0 110.2 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -84.55 -54.61 4.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.286 -0.884 . . . . 10.0 110.504 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.666 HD12 HD13 ' B' ' 30' ' ' LEU . 76.5 mt -60.85 -48.29 82.49 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.244 -0.91 . . . . 10.0 110.415 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.702 HD13 ' CD2' ' A' ' 11' ' ' LEU . 3.5 tp -61.43 -55.9 26.17 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.124 -0.985 . . . . 10.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.649 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -41.51 -42.67 2.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.018 -1.051 . . . . 10.0 109.341 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.553 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -52.28 -65.58 3.18 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.787 -1.725 . . . . 10.0 108.787 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.861 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -38.37 -58.89 0.95 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.431 -1.04 . . . . 10.0 110.014 179.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.539 ' O ' ' HB2' ' A' ' 23' A LEU . 1.8 m -51.04 -34.51 29.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.357 -0.84 . . . . 10.0 109.923 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' GLY . 38.2 t -82.7 -25.11 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 10.0 110.481 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -87.18 -48.57 7.94 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.097 -1.002 . . . . 10.0 109.457 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 18' ' ' TYR . 3.2 t -59.93 -36.71 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.529 -0.732 . . . . 10.0 110.081 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.539 ' HB2' ' O ' ' A' ' 19' ' ' THR . 3.3 mp -74.93 -35.51 62.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.118 -0.988 . . . . 10.0 109.82 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -69.15 -9.18 51.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.276 -0.89 . . . . 10.0 109.949 179.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.632 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.1 pt20 -159.9 37.75 0.18 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.387 -0.821 . . . . 10.0 109.913 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.632 ' C ' ' O ' ' A' ' 25' ' ' GLN . 2.7 mt-30 -15.92 86.6 0.03 OUTLIER Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 121.782 -0.574 . . . . 10.0 111.111 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.56 ' N ' ' O ' ' A' ' 25' ' ' GLN . 43.5 Cg_endo -69.55 162.47 41.83 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 O-C-N 124.098 1.578 . . . . 10.0 110.611 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.27 -40.23 6.37 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 O-C-N 124.074 1.565 . . . . 10.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -136.63 131.74 34.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.165 -0.959 . . . . 10.0 110.316 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.731 HD13 HD12 ' B' ' 14' ' ' LEU . 0.9 OUTLIER -78.36 -50.1 12.37 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.196 -0.94 . . . . 10.0 110.173 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.581 ' C ' ' O ' ' A' ' 30' ' ' LEU . 5.9 t -27.43 -62.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.544 -0.723 . . . . 10.0 110.513 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.468 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -63.23 -51.79 64.79 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.475 -0.766 . . . . 10.0 110.011 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 83.0 t80 -55.71 -50.21 70.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.148 -0.97 . . . . 10.0 109.703 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.814 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -53.93 -28.79 39.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.296 -0.877 . . . . 10.0 109.699 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.722 HG23 ' HB3' ' B' ' 38' ' ' PHE . 5.7 t -83.19 -56.52 5.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.402 -0.811 . . . . 10.0 109.848 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.538 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -52.35 -38.19 58.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.403 -0.811 . . . . 10.0 110.385 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.538 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 31.5 t80 -73.09 -55.75 6.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.189 -0.944 . . . . 10.0 110.617 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.722 ' HB3' HG23 ' B' ' 35' ' ' VAL . 10.4 m-85 -67.39 -56.12 10.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.148 -0.97 . . . . 10.0 110.617 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 5.5 m -44.99 -40.81 6.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.967 -1.083 . . . . 10.0 109.894 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.09 -37.08 69.65 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.28 -0.887 . . . . 10.0 109.986 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.488 ' HB3' HG13 ' B' ' 31' ' ' VAL . 2.3 tp -49.25 -52.09 29.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.176 -0.952 . . . . 10.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.554 ' HG2' ' CG1' ' B' ' 31' ' ' VAL . 3.4 mmm-85 -53.63 -33.06 53.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.11 -0.994 . . . . 10.0 110.189 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.242 -0.912 . . . . 10.0 110.047 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.698 ' CD2' HD13 ' B' ' 15' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.347 0.594 . . . . 10.0 110.069 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.65 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 7.0 m -62.47 -26.35 68.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -0.86 . . . . 10.0 110.155 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -84.43 -54.37 4.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.249 -0.907 . . . . 10.0 110.569 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.731 HD12 HD13 ' A' ' 30' ' ' LEU . 78.7 mt -61.13 -48.3 82.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.904 . . . . 10.0 110.463 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.698 HD13 ' CD2' ' B' ' 11' ' ' LEU . 3.6 tp -61.46 -55.9 26.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.122 -0.986 . . . . 10.0 110.282 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.65 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.9 OUTLIER -41.51 -42.55 2.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.139 -0.975 . . . . 10.0 109.37 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.576 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -52.46 -64.99 3.58 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 108.764 -1.734 . . . . 10.0 108.764 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.856 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.8 OUTLIER -38.98 -58.73 1.07 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -1.102 . . . . 10.0 109.892 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' B' ' 23' B LEU . 1.8 m -51.05 -34.83 31.54 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 10.0 109.983 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 39.0 t -82.07 -25.03 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.232 -0.918 . . . . 10.0 110.448 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' B' ' 17' ' ' GLY . 0.8 OUTLIER -87.45 -48.75 7.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.017 . . . . 10.0 109.547 179.779 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.856 HG23 ' O ' ' B' ' 18' ' ' TYR . 3.3 t -59.63 -36.66 66.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.549 -0.72 . . . . 10.0 110.093 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.54 ' HB2' ' O ' ' B' ' 19' ' ' THR . 3.3 mp -75.11 -35.67 61.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 10.0 109.767 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -68.95 -9.02 49.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 10.0 109.989 179.754 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.629 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.0 pt20 -160.12 37.75 0.18 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.397 -0.814 . . . . 10.0 109.93 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.629 ' C ' ' O ' ' B' ' 25' ' ' GLN . 2.6 mt-30 -15.99 86.66 0.03 OUTLIER Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.836 -0.54 . . . . 10.0 111.118 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.562 ' N ' ' O ' ' B' ' 25' ' ' GLN . 43.5 Cg_endo -69.54 162.59 41.37 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.083 1.57 . . . . 10.0 110.603 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.53 -40.56 5.52 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.086 1.571 . . . . 10.0 110.608 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -136.19 131.58 34.79 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.221 -0.925 . . . . 10.0 110.293 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.678 HD22 ' HG ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -78.17 -49.92 12.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.289 -0.882 . . . . 10.0 110.23 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.577 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.0 t -27.63 -62.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.582 -0.699 . . . . 10.0 110.539 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.467 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -63.02 -51.56 66.31 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.562 -0.711 . . . . 10.0 110.079 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.577 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 82.7 t80 -56.07 -49.96 72.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.155 -0.966 . . . . 10.0 109.729 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.823 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -54.14 -29.01 43.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 10.0 109.635 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.722 HG23 ' HB3' ' A' ' 38' ' ' PHE . 5.6 t -82.88 -56.16 6.29 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.394 -0.816 . . . . 10.0 109.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -52.98 -38.08 61.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 10.0 110.366 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.539 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 31.3 t80 -73.07 -55.65 6.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.138 -0.976 . . . . 10.0 110.599 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.722 ' HB3' HG23 ' A' ' 35' ' ' VAL . 10.3 m-85 -67.5 -56.17 10.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 10.0 110.556 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 5.8 m -44.69 -41.15 6.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.088 -1.008 . . . . 10.0 109.998 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -36.95 70.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.937 . . . . 10.0 109.986 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.538 ' HB3' HG13 ' A' ' 31' ' ' VAL . 2.2 tp -49.35 -52.03 30.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 10.0 110.284 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.55 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 3.2 mmm-85 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.192 -0.943 . . . . 10.0 110.181 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.442 HD23 HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.25 0.548 . . . . 10.0 110.171 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 13' ' ' GLU . 59.8 m -52.98 -73.18 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 10.0 110.278 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.3 tt0 -37.13 -42.54 0.44 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.559 -0.713 . . . . 10.0 110.252 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.537 HD23 ' CE1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -67.08 -60.58 2.5 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.201 -0.937 . . . . 10.0 110.107 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 16' ' ' GLN . 1.6 mp -67.73 -60.48 2.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 10.0 110.226 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -39.05 -44.43 1.12 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.874 . . . . 10.0 109.685 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.531 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -55.57 -63.62 5.12 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 108.627 -1.789 . . . . 10.0 108.627 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.832 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -43.82 -57.91 3.01 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.326 -1.102 . . . . 10.0 109.963 179.262 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.838 ' O ' HD12 ' A' ' 23' A LEU . 0.2 OUTLIER -45.23 -31.68 1.61 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.409 -0.807 . . . . 10.0 110.317 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 73.8 t -86.71 -24.84 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 10.0 110.432 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.588 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -89.12 -37.18 15.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.149 -0.969 . . . . 10.0 109.757 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 18' ' ' TYR . 2.4 t -75.17 -42.79 44.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.514 -0.741 . . . . 10.0 110.304 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.838 HD12 ' O ' ' A' ' 19' ' ' THR . 8.2 mt -76.61 -31.69 57.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.147 -0.971 . . . . 10.0 110.129 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -80.73 1.75 28.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.181 -0.95 . . . . 10.0 110.435 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.692 ' O ' ' C ' ' A' ' 26' ' ' GLN . 3.5 pt20 -165.58 23.79 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.119 -0.988 . . . . 10.0 110.542 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.692 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 2.82 78.62 0.04 OUTLIER Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 121.713 -0.617 . . . . 10.0 110.982 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.54 ' CD ' ' HA ' ' A' ' 22' ' ' VAL . 43.5 Cg_endo -70.05 126.28 12.95 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 O-C-N 124.125 1.592 . . . . 10.0 110.771 -179.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.71 -5.18 15.56 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 124.009 1.531 . . . . 10.0 110.2 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.546 ' O ' ' C ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -114.32 27.82 9.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.422 -0.799 . . . . 10.0 109.906 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.546 ' C ' ' O ' ' A' ' 29' ' ' ASP . 13.9 tp -29.64 -68.79 0.07 Allowed 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.468 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.507 ' C ' ' O ' ' A' ' 30' ' ' LEU . 20.6 t -38.57 -61.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.275 -0.891 . . . . 10.0 109.346 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -59.76 -50.48 73.65 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.732 -0.605 . . . . 10.0 109.389 179.24 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -50.93 -52.04 46.19 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.28 -0.888 . . . . 10.0 109.307 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.759 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -53.05 -27.96 22.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.447 -0.783 . . . . 10.0 109.866 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.607 HG21 ' CA ' ' B' ' 39' ' ' THR . 4.4 t -85.94 -54.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.361 -0.837 . . . . 10.0 109.804 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.713 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 4.6 mm-40 -49.31 -34.65 16.11 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 10.0 110.017 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -77.54 -52.56 8.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.231 -0.918 . . . . 10.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.537 ' CE1' HD23 ' A' ' 14' ' ' LEU . 12.0 m-85 -72.36 -55.54 6.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.257 -0.902 . . . . 10.0 110.306 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.586 ' CA ' HG21 ' B' ' 35' ' ' VAL . 11.7 m -47.6 -49.81 25.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.173 -0.954 . . . . 10.0 110.072 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.713 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -65.81 -33.94 77.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.008 -1.057 . . . . 10.0 109.595 179.436 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.64 -56.28 4.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.347 -0.845 . . . . 10.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HD2' ' CG1' ' B' ' 31' ' ' VAL . 0.0 OUTLIER -50.48 -33.45 21.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.194 -0.941 . . . . 10.0 110.381 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.198 -0.939 . . . . 10.0 110.453 -179.846 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.442 HD23 HD22 ' B' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.282 0.563 . . . . 10.0 110.223 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.484 ' O ' ' C ' ' B' ' 13' ' ' GLU . 60.0 m -54.09 -73.6 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.9 . . . . 10.0 110.384 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.4 tt0 -37.01 -42.82 0.43 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.498 -0.751 . . . . 10.0 110.322 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.542 HD23 ' CE1' ' B' ' 38' ' ' PHE . 0.0 OUTLIER -66.27 -60.76 2.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.383 -0.823 . . . . 10.0 110.108 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' B' ' 16' ' ' GLN . 1.5 mp -67.71 -60.62 2.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -0.896 . . . . 10.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' B' ' 15' ' ' LEU . 0.9 OUTLIER -38.97 -44.43 1.08 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.327 -0.858 . . . . 10.0 109.738 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -55.53 -63.6 5.14 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 108.617 -1.793 . . . . 10.0 108.617 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.839 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.9 OUTLIER -43.82 -58.0 2.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.406 -1.055 . . . . 10.0 109.933 179.354 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.819 ' O ' HD12 ' B' ' 23' B LEU . 0.2 OUTLIER -45.18 -31.71 1.57 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.38 -0.825 . . . . 10.0 110.39 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' B' ' 24' ' ' ARG . 65.7 t -86.85 -24.48 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.911 . . . . 10.0 110.416 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.581 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -89.25 -36.87 15.36 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.139 -0.975 . . . . 10.0 109.823 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.839 HG23 ' O ' ' B' ' 18' ' ' TYR . 2.3 t -75.42 -42.78 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.477 -0.765 . . . . 10.0 110.32 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.819 HD12 ' O ' ' B' ' 19' ' ' THR . 9.2 mt -76.61 -31.68 57.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.125 -0.985 . . . . 10.0 110.173 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -80.8 1.56 30.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.233 -0.917 . . . . 10.0 110.486 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' B' ' 26' ' ' GLN . 3.4 pt20 -165.48 24.0 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.106 -0.996 . . . . 10.0 110.408 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 2.69 78.65 0.04 OUTLIER Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.682 -0.636 . . . . 10.0 111.02 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.547 ' CD ' ' HA ' ' B' ' 22' ' ' VAL . 43.9 Cg_endo -70.03 125.97 12.6 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.057 1.556 . . . . 10.0 110.866 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.37 -5.49 16.1 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 123.955 1.503 . . . . 10.0 110.19 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.547 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -114.18 27.68 9.31 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.342 -0.849 . . . . 10.0 109.881 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' B' ' 29' ' ' ASP . 14.0 tp -29.65 -68.42 0.07 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.465 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.504 ' C ' ' O ' ' B' ' 30' ' ' LEU . 21.2 t -38.83 -61.12 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.215 -0.928 . . . . 10.0 109.301 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 0.6 OUTLIER -59.84 -50.51 73.5 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.286 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -50.65 -52.11 42.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.318 -0.864 . . . . 10.0 109.381 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.758 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -52.91 -28.37 23.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.409 -0.807 . . . . 10.0 109.885 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.586 HG21 ' CA ' ' A' ' 39' ' ' THR . 4.0 t -85.62 -54.48 8.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.474 -0.766 . . . . 10.0 109.71 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.702 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 4.5 mm-40 -49.88 -35.17 22.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 10.0 109.967 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -77.02 -52.07 9.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.104 -0.997 . . . . 10.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.542 ' CE1' HD23 ' B' ' 14' ' ' LEU . 12.4 m-85 -72.92 -55.75 6.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.227 -0.921 . . . . 10.0 110.318 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.607 ' CA ' HG21 ' A' ' 35' ' ' VAL . 15.1 m -47.1 -50.11 20.59 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.107 -0.996 . . . . 10.0 110.112 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.702 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.1 OUTLIER -65.53 -35.03 79.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.928 -1.108 . . . . 10.0 109.531 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.41 -56.5 3.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 10.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.497 ' NE ' ' HB2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.227 -0.921 . . . . 10.0 110.357 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 17.2 tp . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.163 0.506 . . . . 10.0 110.134 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 20.2 m -39.82 -72.03 0.07 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.91 . . . . 10.0 110.101 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.8 mm-40 -34.25 -48.32 0.33 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.536 -0.727 . . . . 10.0 110.595 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 1.2 mp -60.62 -77.98 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.242 -0.911 . . . . 10.0 110.098 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.6 mp -44.01 -51.16 7.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 10.0 109.934 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.54 ' HB2' ' O ' ' A' ' 12' ' ' THR . 1.4 tt0 -48.03 -48.29 33.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.18 -0.95 . . . . 10.0 109.565 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.532 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -48.51 -54.6 12.79 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.925 -1.67 . . . . 10.0 108.925 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.906 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -40.58 -57.0 1.96 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.438 -1.036 . . . . 10.0 109.864 179.553 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.53 ' O ' ' HB2' ' A' ' 23' A LEU . 0.7 OUTLIER -48.48 -50.06 33.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.334 -0.854 . . . . 10.0 109.665 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.509 ' N ' HG22 ' A' ' 19' ' ' THR . 16.5 t -59.5 -27.84 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.275 -0.891 . . . . 10.0 110.414 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -88.52 -50.79 6.07 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.25 -0.906 . . . . 10.0 109.77 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 18' ' ' TYR . 3.3 t -57.8 -36.29 54.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.503 -0.748 . . . . 10.0 109.905 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.53 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.4 OUTLIER -72.61 -42.03 64.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 10.0 109.66 179.407 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -77.93 -44.81 25.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 10.0 110.082 179.726 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 10.0 mm100 -81.53 -31.69 32.66 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.147 -0.971 . . . . 10.0 110.194 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 42.21 56.51 10.26 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.368 -0.832 . . . . 10.0 110.348 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -70.29 159.66 52.25 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.023 1.538 . . . . 10.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.93 -33.67 15.49 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 O-C-N 124.006 1.529 . . . . 10.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.94 132.06 31.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.937 . . . . 10.0 110.092 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.544 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.4 OUTLIER -77.84 -47.04 19.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.204 -0.935 . . . . 10.0 110.1 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.544 ' C ' ' O ' ' A' ' 30' ' ' LEU . 11.2 t -30.6 -68.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.637 -0.665 . . . . 10.0 110.386 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.521 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -52.44 -50.46 62.54 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.399 -0.813 . . . . 10.0 109.666 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.521 ' N ' ' CG ' ' A' ' 32' ' ' ASP . 0.9 OUTLIER -51.92 -66.78 0.33 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.172 -0.955 . . . . 10.0 108.82 178.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.834 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -39.69 -30.56 0.08 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.681 -0.637 . . . . 10.0 109.929 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.678 HG23 ' HB3' ' B' ' 38' ' ' PHE . 6.9 t -84.15 -60.03 2.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 O-C-N 121.19 -0.944 . . . . 10.0 110.119 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -50.04 -35.74 26.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.873 . . . . 10.0 110.07 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.444 ' HB2' ' HE1' ' A' ' 33' ' ' PHE . 14.6 t80 -77.37 -63.85 1.28 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.862 . . . . 10.0 110.606 -179.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.681 ' HB3' HG23 ' B' ' 35' ' ' VAL . 10.7 m-85 -58.29 -45.73 87.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 10.0 110.397 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 15.9 m -52.99 -45.66 67.93 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.001 -1.062 . . . . 10.0 109.933 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -68.32 -29.62 68.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 10.0 110.053 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.402 HD12 ' CZ ' ' A' ' 37' ' ' TYR . 1.1 mt -77.51 -27.53 51.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.369 -0.832 . . . . 10.0 110.111 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.31 -45.31 73.33 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.31 -0.869 . . . . 10.0 109.793 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 2.8 mp0 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 10.0 110.135 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' B' ' 12' ' ' THR . 18.3 tp . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.2 0.524 . . . . 10.0 110.174 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 20.1 m -39.83 -72.24 0.07 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 10.0 110.148 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.503 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.8 mm-40 -34.18 -48.63 0.33 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.657 -0.652 . . . . 10.0 110.502 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 1.3 mp -60.21 -78.42 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.272 -0.893 . . . . 10.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' B' ' 14' ' ' LEU . 2.6 mp -43.58 -50.88 7.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.949 . . . . 10.0 109.929 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' B' ' 12' ' ' THR . 1.3 tt0 -48.1 -48.97 33.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.178 -0.951 . . . . 10.0 109.503 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.529 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -47.83 -54.28 11.92 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.922 -1.671 . . . . 10.0 108.922 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.915 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.3 OUTLIER -41.24 -56.06 2.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.399 -1.059 . . . . 10.0 109.794 179.503 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.533 ' O ' ' HB2' ' B' ' 23' B LEU . 0.8 OUTLIER -49.49 -46.3 48.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.388 -0.82 . . . . 10.0 109.74 179.538 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 16.4 t -64.09 -26.7 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.288 -0.883 . . . . 10.0 110.336 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.529 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -89.37 -50.41 6.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.139 -0.975 . . . . 10.0 109.644 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.915 HG23 ' O ' ' B' ' 18' ' ' TYR . 3.4 t -57.68 -36.05 53.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.547 -0.72 . . . . 10.0 109.892 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.533 ' HB2' ' O ' ' B' ' 19' ' ' THR . 0.4 OUTLIER -73.09 -42.68 62.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.201 -0.937 . . . . 10.0 109.707 179.476 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -77.09 -44.4 30.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.398 -0.814 . . . . 10.0 110.025 179.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' B' ' 21' ' ' GLU . 9.9 mm100 -82.13 -31.32 30.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 10.0 110.256 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 42.0 56.54 9.95 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.307 -0.87 . . . . 10.0 110.38 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.457 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 43.6 Cg_endo -70.11 159.05 54.51 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 123.991 1.521 . . . . 10.0 110.588 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.79 -33.04 17.28 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 O-C-N 124.052 1.554 . . . . 10.0 110.591 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -138.54 131.45 29.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 10.0 110.139 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.545 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.4 OUTLIER -77.38 -46.77 21.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.249 -0.907 . . . . 10.0 110.192 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.545 ' C ' ' O ' ' B' ' 30' ' ' LEU . 11.5 t -30.87 -68.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.633 -0.667 . . . . 10.0 110.439 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.521 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -51.95 -50.82 60.44 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.427 -0.796 . . . . 10.0 109.593 179.769 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.521 ' N ' ' CG ' ' B' ' 32' ' ' ASP . 0.9 OUTLIER -51.48 -66.71 0.34 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.172 -0.955 . . . . 10.0 108.904 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.821 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -39.72 -30.98 0.09 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.65 -0.656 . . . . 10.0 109.926 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.681 HG23 ' HB3' ' A' ' 38' ' ' PHE . 6.8 t -83.67 -59.44 2.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.177 -0.952 . . . . 10.0 109.971 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -50.98 -35.99 36.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.3 -0.875 . . . . 10.0 110.204 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.458 ' HB2' ' HE1' ' B' ' 33' ' ' PHE . 14.2 t80 -77.09 -63.04 1.46 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 10.0 110.534 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.678 ' HB3' HG23 ' A' ' 35' ' ' VAL . 11.0 m-85 -59.1 -44.9 91.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.194 -0.941 . . . . 10.0 110.465 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.564 ' HA ' HG21 ' A' ' 35' ' ' VAL . 14.4 m -53.06 -45.6 68.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.951 -1.093 . . . . 10.0 109.881 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -68.49 -29.84 68.54 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.349 -0.845 . . . . 10.0 110.176 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -77.48 -27.75 52.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 10.0 110.17 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.338 -0.851 . . . . 10.0 109.756 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.96 HD22 HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.228 0.537 . . . . 10.0 110.078 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' LEU . 6.8 m -44.42 -38.34 3.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 10.0 109.95 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -51.92 61.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.414 -0.804 . . . . 10.0 109.8 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.426 ' HB2' HD23 ' A' ' 11' ' ' LEU . 2.1 mp -62.17 -41.49 98.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.304 -0.872 . . . . 10.0 109.835 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.96 HD13 HD22 ' A' ' 11' ' ' LEU . 1.2 mp -63.15 -53.61 50.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.302 -0.873 . . . . 10.0 110.009 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -39.75 -63.66 0.56 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 10.0 109.707 179.768 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -48.14 -54.54 12.09 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.604 -1.798 . . . . 10.0 108.604 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.931 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -38.2 -62.66 0.55 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.509 -0.995 . . . . 10.0 110.488 179.635 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.07 -33.98 20.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.39 -0.819 . . . . 10.0 110.209 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 85.8 t -77.85 -17.19 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.237 -0.915 . . . . 10.0 110.558 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG3' ' CA ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -94.17 -39.05 10.76 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.137 -0.977 . . . . 10.0 110.058 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.9 t -68.18 -31.53 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.401 -0.812 . . . . 10.0 110.126 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' A LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.41 -32.86 16.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 10.0 110.338 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.557 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -75.69 -68.53 0.56 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.046 -1.034 . . . . 10.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -76.04 -19.74 58.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.403 -0.811 . . . . 10.0 110.213 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 43.14 74.31 0.8 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.183 -0.948 . . . . 10.0 109.953 -179.742 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.26 162.5 41.56 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.101 1.58 . . . . 10.0 110.681 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.51 -55.42 0.19 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 124.017 1.535 . . . . 10.0 110.344 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.472 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 5.5 m-20 -116.38 123.57 47.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.328 -0.858 . . . . 10.0 109.999 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.659 HD23 HG13 ' A' ' 22' ' ' VAL . 1.3 tm? -72.19 -59.27 2.82 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.259 -0.901 . . . . 10.0 110.258 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.533 ' C ' ' O ' ' A' ' 30' ' ' LEU . 21.8 t -34.48 -66.75 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.324 -0.86 . . . . 10.0 110.043 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -51.07 -42.83 60.84 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.6 -0.688 . . . . 10.0 109.872 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.495 ' HB3' ' O ' ' A' ' 30' ' ' LEU . 34.3 t80 -58.63 -51.47 69.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.168 -0.958 . . . . 10.0 109.484 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.931 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -49.79 -36.8 27.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.339 -0.851 . . . . 10.0 109.597 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.565 ' HA ' HG22 ' B' ' 35' ' ' VAL . 4.9 t -82.21 -57.21 4.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.565 -0.71 . . . . 10.0 110.125 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.5 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 3.4 mm-40 -50.2 -42.25 51.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 10.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.407 ' CE2' ' OE2' ' A' ' 21' ' ' GLU . 17.6 t80 -72.01 -65.31 0.79 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 10.0 110.433 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 16.2 m-85 -56.61 -37.93 71.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.146 -0.971 . . . . 10.0 110.471 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.581 ' CA ' HG21 ' B' ' 35' ' ' VAL . 24.1 m -55.29 -41.32 72.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.097 -1.002 . . . . 10.0 110.047 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -71.91 -28.87 63.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.336 -0.852 . . . . 10.0 110.435 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.66 -40.75 95.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.214 -0.929 . . . . 10.0 110.323 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -14.12 5.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 10.0 110.232 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.937 . . . . 10.0 110.265 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.977 HD22 HD13 ' B' ' 15' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.15 0.5 . . . . 10.0 110.161 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.409 ' C ' ' O ' ' B' ' 11' ' ' LEU . 7.0 m -44.77 -37.96 4.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 10.0 109.969 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -52.11 59.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.408 -0.807 . . . . 10.0 109.835 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.431 ' HB2' HD23 ' B' ' 11' ' ' LEU . 2.2 mp -61.91 -41.87 98.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.804 . . . . 10.0 109.848 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.977 HD13 HD22 ' B' ' 11' ' ' LEU . 1.2 mp -62.91 -53.2 57.86 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.33 -0.856 . . . . 10.0 110.05 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' B' ' 15' ' ' LEU . 0.6 OUTLIER -39.94 -63.66 0.58 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 10.0 109.675 179.663 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.52 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -48.12 -54.59 11.9 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 108.616 -1.794 . . . . 10.0 108.616 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.942 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 1.0 OUTLIER -37.97 -62.84 0.52 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.509 -0.995 . . . . 10.0 110.457 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -34.04 19.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.413 -0.804 . . . . 10.0 110.221 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.556 ' O ' ' HB3' ' B' ' 24' ' ' ARG . 81.1 t -77.99 -16.99 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.27 -0.894 . . . . 10.0 110.523 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.581 ' HG3' ' CA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -94.27 -38.89 10.8 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.14 -0.975 . . . . 10.0 110.032 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.86 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.9 t -68.35 -31.35 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 10.0 110.08 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' B LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.35 -33.64 15.99 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.136 -0.977 . . . . 10.0 110.414 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.556 ' HB3' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -75.35 -68.35 0.57 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.137 -0.977 . . . . 10.0 110.416 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -75.74 -20.14 58.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.366 -0.834 . . . . 10.0 110.22 -179.686 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 43.13 74.23 0.81 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.242 -0.911 . . . . 10.0 109.853 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.35 162.58 41.28 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.13 1.595 . . . . 10.0 110.687 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -69.42 -55.31 0.19 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 O-C-N 124.08 1.569 . . . . 10.0 110.34 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.47 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 5.4 m-20 -116.53 123.51 47.6 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 10.0 109.968 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.655 HD23 HG13 ' B' ' 22' ' ' VAL . 1.3 tm? -72.3 -59.07 2.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 10.0 110.323 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.534 ' C ' ' O ' ' B' ' 30' ' ' LEU . 21.7 t -34.32 -66.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.294 -0.879 . . . . 10.0 110.006 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.47 ' OD1' ' O ' ' B' ' 29' ' ' ASP . 0.0 OUTLIER -51.05 -42.95 60.85 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.642 -0.661 . . . . 10.0 109.933 179.726 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.491 ' HB3' ' O ' ' B' ' 30' ' ' LEU . 34.6 t80 -58.58 -51.66 68.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.035 -1.041 . . . . 10.0 109.374 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.942 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -49.62 -37.02 26.27 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.247 -0.908 . . . . 10.0 109.496 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.581 HG21 ' CA ' ' A' ' 39' ' ' THR . 5.1 t -82.16 -57.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.507 -0.746 . . . . 10.0 110.156 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.498 ' O ' ' HD2' ' B' ' 40' ' ' ARG . 3.2 mm-40 -50.32 -42.28 52.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 10.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.411 ' CE2' ' OE2' ' B' ' 21' ' ' GLU . 17.5 t80 -71.93 -65.08 0.81 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.242 -0.911 . . . . 10.0 110.361 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.506 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 16.0 m-85 -56.85 -38.54 72.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.183 -0.948 . . . . 10.0 110.461 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.559 ' CA ' HG21 ' A' ' 35' ' ' VAL . 27.4 m -54.63 -41.32 69.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.066 -1.021 . . . . 10.0 110.048 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.498 ' HD2' ' O ' ' B' ' 36' ' ' GLU . 0.8 OUTLIER -71.69 -29.81 64.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 10.0 110.528 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.92 -40.35 96.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.162 -0.961 . . . . 10.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.16 -0.962 . . . . 10.0 110.281 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.569 HD13 HG11 ' B' ' 22' ' ' VAL . 2.1 tp . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.338 0.59 . . . . 10.0 110.101 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.547 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 1.2 m -55.47 -26.7 43.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.317 -0.864 . . . . 10.0 110.056 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -73.02 -65.42 0.8 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.91 . . . . 10.0 110.355 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.8 HD21 HG22 ' B' ' 31' ' ' VAL . 1.7 mp -53.88 -38.72 65.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.267 -0.896 . . . . 10.0 110.32 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 1.2 mp -66.43 -52.84 42.25 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.178 -0.951 . . . . 10.0 110.12 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -43.48 -48.8 7.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.136 -0.977 . . . . 10.0 109.65 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.547 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -52.97 -59.59 9.18 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.027 -1.629 . . . . 10.0 109.027 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.851 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -42.13 -50.1 4.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.356 -1.084 . . . . 10.0 109.943 179.715 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.766 ' O ' HD23 ' A' ' 23' A LEU . 1.0 OUTLIER -58.73 -28.36 65.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.323 -0.86 . . . . 10.0 109.721 179.701 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.583 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 58.1 t -86.45 -19.33 8.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 120.961 -1.087 . . . . 10.0 110.19 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -95.05 -47.37 6.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.046 -1.034 . . . . 10.0 109.115 179.397 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.75 HG13 HD21 ' A' ' 30' ' ' LEU . 48.3 t -61.28 -39.58 83.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.72 -0.613 . . . . 10.0 109.934 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.766 HD23 ' O ' ' A' ' 19' ' ' THR . 3.0 mm? -86.26 -29.17 23.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.907 . . . . 10.0 110.253 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.583 ' CB ' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -102.49 29.13 5.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.146 -0.971 . . . . 10.0 110.245 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.656 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -178.53 27.72 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 10.0 110.352 179.806 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.656 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -12.85 87.32 0.03 OUTLIER Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.547 -0.721 . . . . 10.0 111.097 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.556 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.5 Cg_endo -69.49 166.58 26.79 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.072 1.564 . . . . 10.0 110.752 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.459 ' O ' ' OD1' ' A' ' 29' ' ' ASP . 43.4 Cg_endo -69.59 -32.49 19.15 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 O-C-N 124.04 1.547 . . . . 10.0 110.559 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 1.1 m-20 -143.61 130.92 20.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.214 -0.929 . . . . 10.0 110.233 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.75 HD21 HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -77.17 -70.05 0.49 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.232 -0.918 . . . . 10.0 110.118 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.829 HG22 HD21 ' B' ' 14' ' ' LEU . 18.9 t -37.46 -64.24 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.273 -0.892 . . . . 10.0 109.427 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.521 ' N ' ' HD2' ' B' ' 42' ' ' ARG . 5.0 t0 -52.08 -44.44 64.34 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.67 -0.643 . . . . 10.0 109.454 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -56.21 -59.54 4.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -0.929 . . . . 10.0 108.955 178.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.851 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -46.68 -30.57 2.42 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.823 -0.751 . . . . 10.0 109.164 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.607 ' O ' ' HB ' ' A' ' 39' ' ' THR . 2.9 t -81.68 -62.09 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.413 -0.805 . . . . 10.0 109.952 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.463 ' HG2' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -46.73 -39.87 12.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.44 -0.788 . . . . 10.0 110.406 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.463 ' N ' ' HG2' ' A' ' 36' ' ' GLU . 74.7 t80 -76.82 -62.01 1.78 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.247 -0.908 . . . . 10.0 110.611 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.606 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 17.7 m-85 -57.77 -44.43 86.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.16 -0.963 . . . . 10.0 110.38 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.607 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 2.4 m -57.29 -48.79 78.02 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.07 -1.019 . . . . 10.0 109.646 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -66.81 -38.17 85.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.363 -0.836 . . . . 10.0 110.15 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -51.78 -42.36 62.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.221 -0.925 . . . . 10.0 109.9 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' B' ' 32' ' ' ASP . 1.8 mmp_? -54.23 -19.96 6.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 10.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.494 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.252 -0.905 . . . . 10.0 109.985 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.566 HD13 HG11 ' A' ' 22' ' ' VAL . 2.1 tp . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.299 0.571 . . . . 10.0 110.027 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.547 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 1.3 m -55.2 -26.48 39.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.302 -0.874 . . . . 10.0 110.17 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -73.39 -65.25 0.84 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 10.0 110.276 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.829 HD21 HG22 ' A' ' 31' ' ' VAL . 1.8 mp -54.17 -38.36 65.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 10.0 110.41 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 1.2 mp -66.64 -52.86 40.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.963 . . . . 10.0 110.157 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -43.59 -48.91 7.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.095 -1.003 . . . . 10.0 109.681 179.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.545 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -52.65 -59.71 8.84 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.966 -1.654 . . . . 10.0 108.966 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.84 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.3 OUTLIER -41.92 -50.58 4.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.376 -1.073 . . . . 10.0 109.989 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.756 ' O ' HD23 ' B' ' 23' B LEU . 1.0 OUTLIER -58.38 -28.45 65.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.286 -0.884 . . . . 10.0 109.73 179.646 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.594 ' O ' ' CB ' ' B' ' 24' ' ' ARG . 60.6 t -86.28 -19.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 120.903 -1.123 . . . . 10.0 110.174 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.557 ' O ' ' CG ' ' B' ' 25' ' ' GLN . 0.2 OUTLIER -95.01 -47.49 6.38 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.081 -1.012 . . . . 10.0 109.098 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.738 HG13 HD21 ' B' ' 30' ' ' LEU . 48.9 t -61.05 -39.84 83.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.68 -0.638 . . . . 10.0 110.028 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.756 HD23 ' O ' ' B' ' 19' ' ' THR . 2.8 mm? -86.5 -28.61 23.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 10.0 110.292 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.594 ' CB ' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -102.77 28.93 5.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.238 -0.914 . . . . 10.0 110.26 179.796 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.657 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -178.28 27.85 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.201 -0.937 . . . . 10.0 110.244 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.657 ' C ' ' O ' ' B' ' 25' ' ' GLN . 1.0 OUTLIER -12.96 87.43 0.03 OUTLIER Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.566 -0.708 . . . . 10.0 111.086 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.558 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 43.1 Cg_endo -69.6 166.53 27.1 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 O-C-N 124.101 1.579 . . . . 10.0 110.73 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.457 ' O ' ' OD1' ' B' ' 29' ' ' ASP . 43.1 Cg_endo -69.57 -32.96 18.29 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.034 1.544 . . . . 10.0 110.633 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' B' ' 33' ' ' PHE . 1.1 m-20 -143.21 131.12 21.59 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.19 -0.944 . . . . 10.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.738 HD21 HG13 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -77.12 -70.24 0.48 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.217 -0.927 . . . . 10.0 110.154 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.8 HG22 HD21 ' A' ' 14' ' ' LEU . 21.0 t -37.35 -64.23 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.135 -0.978 . . . . 10.0 109.386 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 5.0 t0 -51.98 -44.64 64.12 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.753 -0.592 . . . . 10.0 109.429 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' B' ' 33' ' ' PHE . 0.6 OUTLIER -56.06 -59.82 4.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.273 -0.892 . . . . 10.0 108.913 179.025 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.84 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -46.75 -30.36 2.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.393 -0.817 . . . . 10.0 109.245 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.606 ' O ' ' HB ' ' B' ' 39' ' ' THR . 2.9 t -81.65 -62.1 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.397 -0.814 . . . . 10.0 109.902 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -46.92 -40.13 13.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.358 -0.839 . . . . 10.0 110.386 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.471 ' N ' ' HG2' ' B' ' 36' ' ' GLU . 75.0 t80 -76.43 -62.41 1.63 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 10.0 110.555 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 17.8 m-85 -57.42 -43.99 84.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.121 -0.987 . . . . 10.0 110.374 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.606 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 2.4 m -57.56 -49.52 76.11 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.864 -1.148 . . . . 10.0 109.608 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -66.05 -38.85 89.38 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.395 -0.816 . . . . 10.0 110.258 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' B' ' 41' ' ' LEU . 0.0 OUTLIER -51.23 -41.94 60.66 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.2 -0.937 . . . . 10.0 109.914 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.521 ' HD2' ' N ' ' A' ' 32' ' ' ASP . 1.7 mmp_? . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.138 -0.976 . . . . 10.0 110.282 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 12' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.252 0.549 . . . . 10.0 110.266 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' LEU . 57.9 m -39.78 -80.56 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.359 -0.838 . . . . 10.0 110.452 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.4 mp0 -39.38 -48.96 1.98 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.451 -0.781 . . . . 10.0 110.422 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.08 -40.89 86.63 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.264 -0.898 . . . . 10.0 110.281 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 15' ' ' LEU . 19.9 mt -65.67 -65.94 0.61 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.148 -0.97 . . . . 10.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.704 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.2 mt-30 -39.76 -45.28 1.71 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.3 -0.875 . . . . 10.0 110.12 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' HG2' ' A' ' 21' ' ' GLU . . . -53.91 -47.72 64.89 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.437 -1.465 . . . . 10.0 109.437 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.665 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -71.41 -57.33 4.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.13 -1.217 . . . . 10.0 109.61 179.772 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.524 ' N ' ' CG ' ' A' ' 18' ' ' TYR . 1.8 m -51.08 -26.98 7.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 10.0 109.436 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 16' ' ' GLN . 10.2 t -73.4 -31.15 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.414 -0.804 . . . . 10.0 110.005 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.665 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.2 mt-10 -74.6 -32.97 62.52 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.232 -0.918 . . . . 10.0 109.695 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.5 t -70.97 -42.07 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.546 -0.721 . . . . 10.0 109.965 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.543 HD12 ' N ' ' A' ' 23' A LEU . 10.8 mp -80.7 -8.12 59.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 10.0 109.784 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.64 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 2.1 tpt180 -100.38 -35.0 9.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -0.81 . . . . 10.0 109.907 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.2 pt20 -114.09 -15.87 12.2 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.257 -0.902 . . . . 10.0 110.392 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 42.59 78.82 0.36 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.166 -0.959 . . . . 10.0 110.061 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD3' ' HG2' ' A' ' 25' ' ' GLN . 42.8 Cg_endo -69.27 170.98 14.75 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 124.032 1.543 . . . . 10.0 110.685 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.32 -22.85 33.49 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 O-C-N 124.075 1.566 . . . . 10.0 110.469 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -150.28 124.68 9.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.368 -0.833 . . . . 10.0 110.009 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -82.34 -65.55 1.0 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 10.0 110.249 -179.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.547 ' C ' ' O ' ' A' ' 30' ' ' LEU . 9.8 t -32.02 -60.47 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.33 -0.856 . . . . 10.0 110.147 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.484 ' OD1' ' NH2' ' B' ' 42' ' ' ARG . 4.3 t0 -63.03 -43.4 98.82 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.594 -0.692 . . . . 10.0 110.245 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' LEU . 73.4 t80 -63.48 -44.66 93.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.157 -0.964 . . . . 10.0 109.78 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.76 -28.95 69.81 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.388 -0.82 . . . . 10.0 110.057 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.555 HG21 ' CA ' ' B' ' 39' ' ' THR . 2.4 t -83.47 -48.06 17.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 121.417 -0.802 . . . . 10.0 110.063 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -51.62 -33.93 35.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.327 -0.858 . . . . 10.0 109.842 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.606 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 4.0 t80 -72.69 -63.87 1.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 10.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.476 ' CE1' ' CE2' ' A' ' 37' ' ' TYR . 23.1 m-85 -58.85 -51.14 71.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.23 -0.919 . . . . 10.0 110.041 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.519 ' CA ' HG21 ' B' ' 35' ' ' VAL . 90.6 m -48.62 -43.9 36.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 10.0 109.868 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -76.45 -24.7 53.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.274 -0.891 . . . . 10.0 109.78 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -53.37 -40.72 65.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.333 -0.854 . . . . 10.0 109.922 179.74 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -50.49 -24.83 3.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.386 -0.821 . . . . 10.0 110.432 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.287 -0.883 . . . . 10.0 109.89 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.496 HD11 ' OG1' ' A' ' 19' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.165 0.507 . . . . 10.0 110.28 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.45 ' O ' ' C ' ' B' ' 13' ' ' GLU . 53.2 m -39.86 -80.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.285 -0.885 . . . . 10.0 110.519 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.4 mp0 -39.38 -48.97 1.98 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.424 -0.797 . . . . 10.0 110.416 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.1 -40.9 86.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.272 -0.893 . . . . 10.0 110.289 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' B' ' 15' ' ' LEU . 19.6 mt -65.33 -66.55 0.53 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.246 -0.909 . . . . 10.0 110.306 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.708 ' O ' HG23 ' B' ' 20' ' ' VAL . 1.2 mt-30 -39.33 -45.89 1.5 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 10.0 110.251 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.523 ' O ' ' HG2' ' B' ' 21' ' ' GLU . . . -53.17 -47.83 60.25 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.472 -1.451 . . . . 10.0 109.472 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.678 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -71.49 -57.2 4.64 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.086 -1.244 . . . . 10.0 109.642 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.517 ' N ' ' CG ' ' B' ' 18' ' ' TYR . 1.9 m -51.42 -26.08 7.37 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.257 -0.902 . . . . 10.0 109.472 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.708 HG23 ' O ' ' B' ' 16' ' ' GLN . 10.8 t -74.17 -31.01 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.427 -0.796 . . . . 10.0 110.024 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.678 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.2 mt-10 -74.77 -32.75 62.13 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.198 -0.939 . . . . 10.0 109.753 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.568 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.5 t -71.04 -42.09 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.575 -0.703 . . . . 10.0 109.947 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.543 HD12 ' N ' ' B' ' 23' B LEU . 10.7 mp -80.55 -8.52 59.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.871 . . . . 10.0 109.88 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.64 ' HB3' ' O ' ' B' ' 20' ' ' VAL . 2.0 tpt180 -100.03 -34.87 9.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.353 -0.842 . . . . 10.0 109.951 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.0 pt20 -114.18 -15.97 12.14 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.207 -0.933 . . . . 10.0 110.482 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 42.63 78.96 0.35 Allowed Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 10.0 110.105 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.4 ' HD3' ' HG2' ' B' ' 25' ' ' GLN . 43.3 Cg_endo -69.39 170.92 15.03 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 O-C-N 124.056 1.556 . . . . 10.0 110.597 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.23 -23.35 33.32 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.032 1.543 . . . . 10.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -149.69 124.78 10.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.319 -0.863 . . . . 10.0 109.915 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.543 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.3 OUTLIER -82.23 -65.91 0.95 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.208 -0.932 . . . . 10.0 110.208 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.543 ' C ' ' O ' ' B' ' 30' ' ' LEU . 7.1 t -31.95 -60.62 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.341 -0.849 . . . . 10.0 110.149 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -62.57 -43.04 99.8 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.549 -0.72 . . . . 10.0 110.187 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 30' ' ' LEU . 73.3 t80 -64.05 -43.69 94.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.165 -0.959 . . . . 10.0 109.847 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.68 -28.98 70.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 10.0 109.982 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.519 HG21 ' CA ' ' A' ' 39' ' ' THR . 2.4 t -83.18 -47.48 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 121.299 -0.875 . . . . 10.0 110.066 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.36 -34.27 46.84 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.287 -0.883 . . . . 10.0 109.903 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.603 ' CD2' ' HB2' ' B' ' 18' ' ' TYR . 4.2 t80 -72.44 -63.52 1.14 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 10.0 110.132 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.474 ' CE1' ' CE2' ' B' ' 37' ' ' TYR . 23.1 m-85 -59.25 -50.62 73.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.198 -0.939 . . . . 10.0 110.118 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.555 ' CA ' HG21 ' A' ' 35' ' ' VAL . 88.6 m -48.81 -45.39 40.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.216 -0.928 . . . . 10.0 109.799 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -75.25 -23.94 57.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.325 -0.859 . . . . 10.0 109.728 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.487 HD13 ' O ' ' B' ' 41' ' ' LEU . 0.4 OUTLIER -54.14 -41.89 68.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.307 -0.871 . . . . 10.0 109.945 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.484 ' NH2' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 O-C-N 121.176 -0.953 . . . . 10.0 110.278 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.486 HD13 ' HG ' ' B' ' 30' ' ' LEU . 14.1 tp . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.177 0.513 . . . . 10.0 110.449 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 14.0 m -56.47 -77.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.248 -0.907 . . . . 10.0 110.197 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.0 tt0 -35.53 -41.53 0.2 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.566 -0.708 . . . . 10.0 110.71 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.15 -64.11 0.94 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.215 -0.928 . . . . 10.0 110.46 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 HD22 ' B' ' 15' ' ' LEU . 72.6 mt -66.15 -40.74 90.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.233 -0.917 . . . . 10.0 110.437 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -59.23 -60.25 4.16 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.013 -1.054 . . . . 10.0 109.416 179.612 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.513 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -46.65 -31.31 5.13 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 108.994 -1.642 . . . . 10.0 108.994 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.721 ' OH ' ' HA ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -62.46 -61.25 2.57 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.291 -1.123 . . . . 10.0 110.255 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 23' A LEU . 0.4 OUTLIER -42.96 -30.19 0.39 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.223 -0.923 . . . . 10.0 109.826 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.537 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 6.1 t -75.26 -29.64 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.293 -0.879 . . . . 10.0 110.155 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -91.19 -59.58 2.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.17 -0.956 . . . . 10.0 109.575 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.865 HG22 ' CE2' ' A' ' 33' ' ' PHE . 4.1 t -48.6 -39.19 10.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.616 -0.677 . . . . 10.0 109.896 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 19' ' ' THR . 16.7 tp -72.8 -50.65 22.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.864 . . . . 10.0 110.427 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.537 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -62.6 -58.3 8.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 10.0 110.544 -179.752 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.535 ' HG3' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -76.53 -22.33 54.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 10.0 110.638 -179.541 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.535 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 1.2 mt-30 41.84 82.26 0.23 Allowed Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.151 -0.968 . . . . 10.0 110.372 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.87 164.5 34.4 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 O-C-N 123.94 1.495 . . . . 10.0 110.439 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.47 -25.82 29.54 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.011 1.532 . . . . 10.0 110.437 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.03 130.39 4.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.923 . . . . 10.0 110.109 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.767 ' CD1' ' HB2' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -63.43 -60.07 3.85 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.214 -0.929 . . . . 10.0 110.436 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 35' ' ' VAL . 11.5 t -26.63 -61.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.51 -0.744 . . . . 10.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.47 ' OD1' ' HD3' ' B' ' 42' ' ' ARG . 0.4 OUTLIER -63.99 -52.91 57.37 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.567 -0.708 . . . . 10.0 110.131 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.865 ' CE2' HG22 ' A' ' 22' ' ' VAL . 89.8 t80 -54.56 -42.45 71.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.272 -0.893 . . . . 10.0 109.81 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.767 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . . . -54.98 -42.45 72.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 10.0 109.824 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 31' ' ' VAL . 44.6 t -70.69 -53.42 22.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.363 -0.836 . . . . 10.0 110.648 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -48.9 -57.02 7.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 10.0 110.856 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.509 ' CG ' ' HE1' ' A' ' 18' ' ' TYR . 79.7 t80 -57.46 -74.42 0.06 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.94 . . . . 10.0 110.747 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.757 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 24.0 m-85 -47.24 -56.31 6.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 10.0 110.774 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.557 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 54.4 m -42.77 -56.72 3.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.092 -1.005 . . . . 10.0 110.24 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.5 mtt85 -58.98 -26.07 64.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.212 -0.93 . . . . 10.0 109.973 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.486 ' HB3' HG13 ' B' ' 31' ' ' VAL . 9.2 tp -75.39 -22.81 57.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 10.0 109.992 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -81.65 -14.95 56.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.342 -0.849 . . . . 10.0 110.015 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.213 -0.929 . . . . 10.0 110.518 -179.83 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.421 HD13 ' HG ' ' A' ' 30' ' ' LEU . 14.0 tp . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.143 0.497 . . . . 10.0 110.392 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' B' ' 16' ' ' GLN . 12.1 m -56.01 -78.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 10.0 110.167 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.0 tt0 -35.43 -41.89 0.2 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.585 -0.697 . . . . 10.0 110.713 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 2.9 mp -64.68 -64.0 0.98 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 10.0 110.43 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.453 HD22 HD22 ' A' ' 15' ' ' LEU . 74.3 mt -66.16 -41.12 90.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.933 . . . . 10.0 110.498 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -58.77 -60.49 3.75 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.012 -1.055 . . . . 10.0 109.549 179.588 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.507 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -46.4 -31.31 4.77 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.995 -1.642 . . . . 10.0 108.995 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.704 ' OH ' ' HA ' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -62.43 -61.22 2.59 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.293 -1.122 . . . . 10.0 110.281 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' B' ' 23' B LEU . 0.4 OUTLIER -42.94 -30.11 0.38 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.184 -0.948 . . . . 10.0 109.816 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.532 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 5.4 t -75.34 -29.92 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.267 -0.896 . . . . 10.0 110.213 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.55 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.9 OUTLIER -90.97 -59.24 2.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.168 -0.957 . . . . 10.0 109.525 179.772 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.865 HG22 ' CE2' ' B' ' 33' ' ' PHE . 4.0 t -49.03 -38.92 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.675 -0.64 . . . . 10.0 109.943 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.429 ' HB2' ' O ' ' B' ' 19' ' ' THR . 17.1 tp -73.11 -51.14 19.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.257 -0.902 . . . . 10.0 110.378 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -62.04 -58.13 9.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.131 -0.98 . . . . 10.0 110.67 -179.719 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.539 ' HG3' ' N ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -76.69 -22.4 54.0 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.185 -0.947 . . . . 10.0 110.637 -179.605 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.539 ' N ' ' HG3' ' B' ' 25' ' ' GLN . 1.2 mt-30 41.97 82.4 0.23 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.211 -0.931 . . . . 10.0 110.294 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -69.96 164.29 35.29 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 124.04 1.547 . . . . 10.0 110.475 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.42 -24.97 30.63 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 O-C-N 123.983 1.517 . . . . 10.0 110.528 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.96 130.54 4.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.362 -0.836 . . . . 10.0 110.031 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.759 ' CD1' ' HB2' ' B' ' 34' ' ' ALA . 0.6 OUTLIER -63.71 -60.56 3.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.909 . . . . 10.0 110.392 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.627 ' O ' HG23 ' B' ' 35' ' ' VAL . 10.9 t -26.03 -60.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.55 -0.719 . . . . 10.0 110.39 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.54 -52.7 56.37 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.542 -0.724 . . . . 10.0 110.123 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.865 ' CE2' HG22 ' B' ' 22' ' ' VAL . 89.6 t80 -54.71 -42.15 71.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.944 . . . . 10.0 109.688 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.759 ' HB2' ' CD1' ' B' ' 30' ' ' LEU . . . -55.05 -43.12 73.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.33 -0.856 . . . . 10.0 109.75 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.627 HG23 ' O ' ' B' ' 31' ' ' VAL . 42.8 t -70.22 -53.5 22.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.316 -0.865 . . . . 10.0 110.659 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -48.79 -57.89 5.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.208 -0.932 . . . . 10.0 110.967 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.512 ' CG ' ' HE1' ' B' ' 18' ' ' TYR . 78.9 t80 -56.63 -74.15 0.05 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.189 -0.944 . . . . 10.0 110.823 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.765 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 24.1 m-85 -47.59 -56.19 7.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.29 -0.881 . . . . 10.0 110.859 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.558 ' CB ' ' O ' ' B' ' 35' ' ' VAL . 54.5 m -42.66 -56.64 3.06 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.146 -0.971 . . . . 10.0 110.237 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -59.09 -25.63 63.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.17 -0.956 . . . . 10.0 110.033 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.62 ' HB3' HG13 ' A' ' 31' ' ' VAL . 9.3 tp -75.87 -22.85 55.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.21 -0.931 . . . . 10.0 109.965 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.47 ' HD3' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.324 -0.86 . . . . 10.0 109.979 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 120.971 0.415 . . . . 10.0 110.397 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 18.8 m -35.62 -62.22 0.42 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.453 -0.779 . . . . 10.0 110.196 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.5 tt0 -41.36 -49.77 3.79 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.487 -0.758 . . . . 10.0 110.292 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.511 HD21 HG22 ' B' ' 31' ' ' VAL . 2.6 mp -56.09 -68.24 0.22 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.203 -0.935 . . . . 10.0 110.424 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.642 HD13 HD21 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -57.74 -58.42 8.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.19 -0.944 . . . . 10.0 110.391 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HB2' ' O ' ' A' ' 12' ' ' THR . 2.2 tt0 -40.56 -43.92 1.98 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.167 -0.958 . . . . 10.0 109.815 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -52.3 -60.77 7.31 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 108.796 -1.722 . . . . 10.0 108.796 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.804 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -39.0 -56.3 1.43 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.499 -1.001 . . . . 10.0 110.138 179.465 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -47.76 -40.03 19.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.469 -0.769 . . . . 10.0 110.351 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.805 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 99.1 t -77.35 -20.69 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.183 -0.948 . . . . 10.0 110.751 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -92.72 -52.1 4.78 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.857 -1.152 . . . . 10.0 109.899 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 18' ' ' TYR . 3.1 t -59.72 -28.73 41.18 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.623 -0.673 . . . . 10.0 110.049 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' A LEU . . . . . . . . . . . . . 13.9 tp -88.81 -31.45 18.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 10.0 110.095 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.805 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -96.88 35.46 1.54 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 10.0 110.387 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.545 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -175.08 -34.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 10.0 110.465 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER 40.97 79.94 0.3 Allowed Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.359 -0.838 . . . . 10.0 110.224 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.66 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -70.44 170.72 16.72 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 O-C-N 124.025 1.539 . . . . 10.0 110.684 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.83 -24.68 29.07 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 O-C-N 124.02 1.537 . . . . 10.0 110.467 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -142.19 132.04 24.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 10.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.575 ' CD1' ' HG ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -86.0 -67.85 0.78 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.206 -0.934 . . . . 10.0 110.277 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.542 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.7 t -34.04 -66.4 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.312 -0.867 . . . . 10.0 109.706 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD2' ' HD3' ' B' ' 42' ' ' ARG . 5.3 t0 -50.51 -44.04 55.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.674 -0.641 . . . . 10.0 109.527 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.66 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 0.7 OUTLIER -57.06 -63.06 1.34 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.229 -0.919 . . . . 10.0 109.057 178.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.804 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -44.84 -29.95 0.89 Allowed 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.511 -0.743 . . . . 10.0 109.84 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.66 HG21 ' HA ' ' B' ' 39' ' ' THR . 2.7 t -81.26 -52.77 13.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.338 -0.851 . . . . 10.0 109.764 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.5 mm-40 -53.12 -45.15 68.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.363 -0.835 . . . . 10.0 110.276 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -64.89 -70.35 0.24 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 10.0 110.579 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.548 ' HB3' HG23 ' B' ' 35' ' ' VAL . 19.2 m-85 -53.19 -48.17 68.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.262 -0.899 . . . . 10.0 110.531 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.596 ' HA ' HG21 ' B' ' 35' ' ' VAL . 37.2 m -51.17 -48.4 61.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.045 -1.034 . . . . 10.0 109.934 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -65.08 -23.53 67.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.251 -0.906 . . . . 10.0 109.926 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' A' ' 41' ' ' LEU . 6.8 tp -72.77 -28.4 62.58 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.29 -0.881 . . . . 10.0 110.153 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.39 -21.37 65.61 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.16 -0.963 . . . . 10.0 110.1 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.259 -0.901 . . . . 10.0 110.33 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.717 ' O ' HD23 ' B' ' 11' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.052 0.453 . . . . 10.0 110.375 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.535 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 18.6 m -34.7 -62.77 0.34 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.371 -0.831 . . . . 10.0 110.295 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.2 tt0 -40.76 -50.15 3.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.517 -0.74 . . . . 10.0 110.291 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.522 HD21 HG22 ' A' ' 31' ' ' VAL . 2.5 mp -55.86 -69.39 0.14 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.336 -0.852 . . . . 10.0 110.429 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.682 HD13 HD21 ' B' ' 11' ' ' LEU . 0.8 OUTLIER -56.56 -58.36 8.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.18 -0.95 . . . . 10.0 110.349 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.0 tt0 -40.64 -44.25 2.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.195 -0.941 . . . . 10.0 109.906 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.492 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -52.31 -60.23 7.99 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.732 -1.747 . . . . 10.0 108.732 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.805 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.9 OUTLIER -39.23 -56.63 1.48 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.457 -1.026 . . . . 10.0 110.153 179.522 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -47.69 -39.33 17.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.473 -0.767 . . . . 10.0 110.283 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.82 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 93.2 t -77.64 -21.15 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 10.0 110.714 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.566 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -92.41 -51.54 5.09 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.836 -1.165 . . . . 10.0 109.971 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 18' ' ' TYR . 3.3 t -60.04 -30.68 46.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.549 -0.719 . . . . 10.0 110.164 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' B LEU . . . . . . . . . . . . . 13.0 tp -87.57 -30.7 20.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.232 -0.918 . . . . 10.0 110.218 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.82 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -97.14 35.36 1.6 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.088 -1.007 . . . . 10.0 110.39 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.541 ' CG ' ' HD3' ' B' ' 27' ' ' PRO . 0.3 OUTLIER -175.26 -33.75 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.173 -0.954 . . . . 10.0 110.415 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.1 OUTLIER 40.9 79.9 0.3 Allowed Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.335 -0.853 . . . . 10.0 110.207 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.66 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 44.3 Cg_endo -70.41 170.67 16.78 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 O-C-N 124.026 1.54 . . . . 10.0 110.605 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.98 -24.32 28.82 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 O-C-N 123.994 1.523 . . . . 10.0 110.507 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -142.51 131.84 23.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.873 . . . . 10.0 110.208 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.568 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 0.4 OUTLIER -85.88 -67.84 0.78 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.272 -0.892 . . . . 10.0 110.23 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.539 ' C ' ' O ' ' B' ' 30' ' ' LEU . 13.9 t -34.25 -66.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.324 -0.86 . . . . 10.0 109.736 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -50.51 -43.75 55.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.582 -0.699 . . . . 10.0 109.562 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.66 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 0.8 OUTLIER -57.27 -63.03 1.36 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 10.0 108.986 178.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.805 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -44.66 -30.28 0.9 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.497 -0.752 . . . . 10.0 109.786 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.596 HG21 ' HA ' ' A' ' 39' ' ' THR . 2.7 t -81.07 -52.69 13.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.249 -0.907 . . . . 10.0 109.819 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 1.4 mm-40 -53.08 -45.57 68.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.855 . . . . 10.0 110.4 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -64.57 -70.23 0.24 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 10.0 110.564 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.561 ' HB3' HG23 ' A' ' 35' ' ' VAL . 19.6 m-85 -53.28 -48.04 68.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 10.0 110.546 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.66 ' HA ' HG21 ' A' ' 35' ' ' VAL . 40.1 m -51.04 -48.48 61.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.972 -1.08 . . . . 10.0 109.827 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -65.02 -23.61 67.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.364 -0.835 . . . . 10.0 110.019 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' B' ' 41' ' ' LEU . 6.8 tp -72.65 -28.07 62.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.347 -0.846 . . . . 10.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.504 ' HD3' ' OD2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 10.0 110.081 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 11' ' ' LEU . 6.6 tp . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 121.333 0.587 . . . . 10.0 110.083 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 11' ' ' LEU . 1.3 m -41.32 -26.73 0.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 10.0 110.09 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' LEU . 33.6 tp10 -68.32 -66.01 0.62 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.236 -0.915 . . . . 10.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 mt -44.77 -42.67 7.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.233 -0.917 . . . . 10.0 110.21 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.055 HD23 HD23 ' B' ' 15' ' ' LEU . 3.0 tm? -61.34 -71.82 0.13 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.209 -0.932 . . . . 10.0 110.221 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.725 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.3 mt-30 -38.36 -29.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.406 -0.809 . . . . 10.0 110.016 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.572 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -79.9 -43.23 10.11 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.315 -1.514 . . . . 10.0 109.315 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.744 ' HD2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -70.23 -40.7 74.33 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.141 -1.211 . . . . 10.0 109.766 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.512 ' O ' HD22 ' A' ' 23' A LEU . 1.9 m -66.77 -31.99 73.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.071 -1.018 . . . . 10.0 109.732 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 16' ' ' GLN . 17.7 t -69.12 -26.15 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.264 -0.898 . . . . 10.0 109.999 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.592 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -75.13 -31.05 60.98 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.224 -0.922 . . . . 10.0 109.284 179.353 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.892 HG11 HD13 ' A' ' 30' ' ' LEU . 1.6 t -76.49 -22.13 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.633 -0.667 . . . . 10.0 110.413 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.512 HD22 ' O ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -89.82 -25.77 20.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.23 -0.919 . . . . 10.0 110.469 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.61 -14.85 41.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.897 . . . . 10.0 110.167 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.483 ' NE2' ' CE2' ' A' ' 33' ' ' PHE . 5.5 pt20 -126.58 -33.75 2.51 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.184 -0.947 . . . . 10.0 110.112 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 25' ' ' GLN . 1.2 mt-30 51.06 78.05 0.42 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.354 -0.841 . . . . 10.0 110.575 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.467 ' HG3' ' CG ' ' A' ' 33' ' ' PHE . 44.6 Cg_endo -70.29 166.72 27.33 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 O-C-N 123.958 1.504 . . . . 10.0 110.485 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.57 -5.19 15.5 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.994 1.523 . . . . 10.0 110.221 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.527 ' OD2' ' CB ' ' A' ' 32' ' ' ASP . 19.3 p-10 -165.66 126.57 1.88 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.823 . . . . 10.0 109.817 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.892 HD13 HG11 ' A' ' 22' ' ' VAL . 42.3 tp -79.04 -71.15 0.46 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.137 -0.977 . . . . 10.0 110.781 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 30' ' ' LEU . 18.4 t -21.35 -61.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 CA-C-O 121.698 0.761 . . . . 10.0 110.508 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.556 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -63.07 -50.8 69.15 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.62 -0.675 . . . . 10.0 110.021 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.695 ' CE1' HG22 ' A' ' 22' ' ' VAL . 35.4 t80 -55.87 -50.2 71.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.897 -1.127 . . . . 10.0 109.178 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.05 -30.52 2.74 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.386 -0.821 . . . . 10.0 109.506 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.685 HG13 ' OG1' ' A' ' 39' ' ' THR . 2.8 t -78.69 -51.65 16.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 O-C-N 121.478 -0.764 . . . . 10.0 109.566 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -46.41 -36.21 6.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.246 -0.909 . . . . 10.0 109.758 179.658 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.574 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 28.3 t80 -71.01 -66.12 0.65 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.925 . . . . 10.0 110.038 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.505 ' HB3' HG23 ' B' ' 35' ' ' VAL . 35.1 m-85 -60.77 -50.23 74.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.217 -0.927 . . . . 10.0 109.958 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.685 ' OG1' HG13 ' A' ' 35' ' ' VAL . 51.5 m -48.91 -40.22 29.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.297 -0.877 . . . . 10.0 109.783 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.484 ' HA ' ' OE1' ' A' ' 43' ' ' GLU . 3.1 ttp85 -83.05 -25.15 32.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.353 -0.842 . . . . 10.0 109.988 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.551 HD23 HG13 ' B' ' 31' ' ' VAL . 11.3 tp -50.5 -55.53 15.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 10.0 110.037 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.531 ' CG ' ' O ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -37.2 -40.37 0.32 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.259 -0.901 . . . . 10.0 109.615 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.484 ' OE1' ' HA ' ' A' ' 40' ' ' ARG . 1.5 mt-10 . . . . . 0 N--CA 1.489 1.48 0 O-C-N 121.479 -0.763 . . . . 10.0 109.679 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.55 ' O ' HD12 ' B' ' 11' ' ' LEU . 6.2 tp . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.21 0.529 . . . . 10.0 110.009 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.428 ' C ' ' O ' ' B' ' 11' ' ' LEU . 1.3 m -40.95 -26.87 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.278 -0.889 . . . . 10.0 110.016 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' LEU . 33.2 tp10 -68.23 -65.9 0.64 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.261 -0.899 . . . . 10.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 13' ' ' GLU . 54.3 mt -44.86 -42.24 7.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 10.0 110.129 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 1.055 HD23 HD23 ' A' ' 15' ' ' LEU . 3.0 tm? -61.41 -71.83 0.14 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.249 -0.907 . . . . 10.0 110.181 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.719 ' O ' HG23 ' B' ' 20' ' ' VAL . 1.5 mt-30 -38.71 -28.74 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.423 -0.798 . . . . 10.0 110.024 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.569 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -80.07 -43.62 9.63 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.357 -1.497 . . . . 10.0 109.357 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.679 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.0 OUTLIER -70.32 -40.14 74.36 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.192 -1.181 . . . . 10.0 109.759 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.53 HG23 HD23 ' A' ' 11' ' ' LEU . 2.0 m -67.19 -32.15 73.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.124 -0.985 . . . . 10.0 109.643 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.719 HG23 ' O ' ' B' ' 16' ' ' GLN . 16.8 t -68.92 -26.38 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.358 -0.839 . . . . 10.0 110.075 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.591 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.7 OUTLIER -74.9 -31.32 61.54 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.168 -0.958 . . . . 10.0 109.236 179.397 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.899 HG11 HD13 ' B' ' 30' ' ' LEU . 1.6 t -76.33 -21.92 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.591 -0.693 . . . . 10.0 110.413 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.513 HD22 ' O ' ' B' ' 19' ' ' THR . 0.1 OUTLIER -89.92 -25.96 20.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.13 -0.981 . . . . 10.0 110.401 -179.761 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -14.92 41.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.107 -0.995 . . . . 10.0 110.181 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.489 ' NE2' ' CE2' ' B' ' 33' ' ' PHE . 5.5 pt20 -126.4 -33.73 2.55 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.205 -0.934 . . . . 10.0 110.123 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' B' ' 25' ' ' GLN . 1.2 mt-30 50.95 78.2 0.41 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.39 -0.819 . . . . 10.0 110.524 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.473 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 44.0 Cg_endo -70.41 166.55 28.04 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 O-C-N 123.891 1.469 . . . . 10.0 110.445 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.62 -4.93 14.92 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 124.039 1.547 . . . . 10.0 110.282 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.528 ' OD2' ' CB ' ' B' ' 32' ' ' ASP . 19.4 p-10 -165.7 126.03 1.8 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.468 -0.77 . . . . 10.0 109.795 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.899 HD13 HG11 ' B' ' 22' ' ' VAL . 41.1 tp -78.6 -71.18 0.45 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 10.0 110.673 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.601 ' C ' ' O ' ' B' ' 30' ' ' LEU . 18.1 t -21.37 -61.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.561 -0.712 . . . . 10.0 110.457 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.556 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 0.6 OUTLIER -63.08 -50.69 69.58 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.75 -0.594 . . . . 10.0 110.061 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.697 ' CE1' HG22 ' B' ' 22' ' ' VAL . 35.4 t80 -55.98 -50.17 71.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.965 -1.084 . . . . 10.0 109.2 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.11 -30.41 2.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.394 -0.816 . . . . 10.0 109.506 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.687 HG13 ' OG1' ' B' ' 39' ' ' THR . 3.0 t -78.89 -51.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 O-C-N 121.33 -0.856 . . . . 10.0 109.69 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -46.43 -36.02 6.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 10.0 109.734 179.624 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.575 ' CD1' ' OE2' ' B' ' 21' ' ' GLU . 29.1 t80 -71.21 -66.24 0.64 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.328 -0.857 . . . . 10.0 110.073 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.53 ' HB3' HG23 ' A' ' 35' ' ' VAL . 34.4 m-85 -60.69 -50.47 73.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.272 -0.892 . . . . 10.0 109.874 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.687 ' OG1' HG13 ' B' ' 35' ' ' VAL . 56.1 m -48.87 -39.7 26.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.275 -0.891 . . . . 10.0 109.892 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 3.3 ttp85 -83.31 -25.42 31.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.33 -0.856 . . . . 10.0 109.836 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.567 HD23 HG13 ' A' ' 31' ' ' VAL . 11.1 tp -49.94 -55.83 13.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.297 -0.877 . . . . 10.0 109.986 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.525 ' C ' ' O ' ' B' ' 41' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 O-C-N 121.356 -0.84 . . . . 10.0 109.579 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.328 0.585 . . . . 10.0 110.156 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 13' ' ' GLU . 1.8 m -61.71 -66.31 0.56 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 10.0 110.35 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.7 pt-20 -35.2 -48.85 0.46 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.591 -0.693 . . . . 10.0 110.691 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.728 HD12 HD23 ' B' ' 30' ' ' LEU . 1.0 OUTLIER -55.71 -62.42 1.7 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.202 -0.936 . . . . 10.0 110.126 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' GLN . 11.9 mt -64.74 -56.63 12.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 10.0 110.155 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.8 tt0 -42.27 -57.98 2.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.224 -0.922 . . . . 10.0 109.829 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -46.41 -50.41 13.64 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.753 -1.739 . . . . 10.0 108.753 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.617 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.6 OUTLIER -41.96 -63.07 0.79 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.338 -1.095 . . . . 10.0 109.946 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -47.24 -24.84 0.8 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.429 -0.795 . . . . 10.0 110.128 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' GLY . 16.4 t -89.66 -33.8 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.243 -0.91 . . . . 10.0 110.438 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.617 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.82 -44.41 55.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.097 -1.002 . . . . 10.0 108.897 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' A' ' 26' ' ' GLN . 16.8 t -63.36 -52.64 55.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.878 -0.514 . . . . 10.0 110.026 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.549 ' HB2' ' O ' ' A' ' 19' ' ' THR . 2.1 tp -55.62 -27.05 47.49 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.222 -0.923 . . . . 10.0 109.933 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -65.95 -13.43 59.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.373 -0.829 . . . . 10.0 110.239 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.566 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -158.55 14.44 0.19 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.201 -0.937 . . . . 10.0 110.741 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.566 ' C ' ' O ' ' A' ' 25' ' ' GLN . 49.2 mt-30 26.24 55.9 0.4 Allowed Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.389 -0.819 . . . . 10.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.491 ' HD3' ' HG3' ' A' ' 25' ' ' GLN . 44.3 Cg_endo -70.93 119.56 6.4 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 O-C-N 123.882 1.464 . . . . 10.0 110.784 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -70.19 -0.95 8.03 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 O-C-N 123.979 1.515 . . . . 10.0 110.274 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.537 ' O ' ' C ' ' A' ' 30' ' ' LEU . 2.0 m-20 -100.46 27.93 5.41 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.299 -0.876 . . . . 10.0 110.254 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.67 HD23 HD12 ' B' ' 14' ' ' LEU . 2.1 tp -29.91 -61.72 0.15 Allowed 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.028 0.442 . . . . 10.0 110.333 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.449 ' H ' HG23 ' A' ' 31' ' ' VAL . 16.6 t -41.29 -67.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.275 -0.89 . . . . 10.0 109.18 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.523 ' OD1' ' NH1' ' B' ' 42' ' ' ARG . 6.6 t0 -49.27 -48.63 45.77 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.472 ' HD1' ' C ' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -49.45 -58.9 4.3 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.634 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.589 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -40.66 -51.86 2.97 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.923 -0.711 . . . . 10.0 109.607 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.656 ' O ' ' HB ' ' A' ' 39' ' ' THR . 4.1 t -65.37 -56.23 16.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.291 -0.881 . . . . 10.0 109.791 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -39.73 -58.34 1.36 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.333 -0.854 . . . . 10.0 110.507 179.73 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.433 ' CE1' ' CD2' ' A' ' 41' ' ' LEU . 7.5 t80 -63.57 -76.96 0.06 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.29 -0.881 . . . . 10.0 110.527 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 17.9 m-85 -41.95 -60.57 1.36 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.294 -0.878 . . . . 10.0 110.768 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.656 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 17.1 m -39.91 -49.05 2.41 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.11 -0.994 . . . . 10.0 109.756 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -39.82 68.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 10.0 109.336 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.513 ' HA ' HD12 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -69.13 -22.17 63.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.5 -0.75 . . . . 10.0 109.577 179.439 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.474 ' HD3' ' CG ' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -71.62 -29.43 64.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.321 -0.862 . . . . 10.0 109.594 179.458 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.434 -0.791 . . . . 10.0 110.052 179.744 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.274 0.559 . . . . 10.0 110.128 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.496 ' O ' ' C ' ' B' ' 13' ' ' GLU . 1.8 m -61.67 -65.91 0.62 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.377 -0.827 . . . . 10.0 110.424 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' B' ' 12' ' ' THR . 4.7 pt-20 -35.64 -47.99 0.5 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.601 -0.687 . . . . 10.0 110.577 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.67 HD12 HD23 ' A' ' 30' ' ' LEU . 1.1 mt -56.67 -61.7 2.24 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.099 -1.001 . . . . 10.0 110.137 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' B' ' 16' ' ' GLN . 11.7 mt -65.35 -56.68 11.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.22 -0.925 . . . . 10.0 110.081 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' B' ' 15' ' ' LEU . 1.7 tt0 -42.08 -57.8 2.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 10.0 109.862 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -46.55 -50.16 14.55 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 108.854 -1.698 . . . . 10.0 108.854 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.614 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.6 OUTLIER -42.29 -62.94 0.84 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.464 -1.021 . . . . 10.0 109.869 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -47.19 -24.82 0.77 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.375 -0.828 . . . . 10.0 110.229 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' B' ' 17' ' ' GLY . 16.9 t -89.85 -34.23 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.157 -0.964 . . . . 10.0 110.546 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.614 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.5 OUTLIER -73.26 -44.09 59.95 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.184 -0.948 . . . . 10.0 108.876 179.525 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' B' ' 26' ' ' GLN . 19.0 t -63.75 -52.88 51.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.899 -0.5 . . . . 10.0 110.102 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.543 ' HB2' ' O ' ' B' ' 19' ' ' THR . 2.0 tp -55.39 -26.33 40.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.26 -0.9 . . . . 10.0 109.975 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -66.61 -13.2 60.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.298 -0.876 . . . . 10.0 110.265 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.57 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -158.87 14.66 0.17 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.214 -0.929 . . . . 10.0 110.819 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.57 ' C ' ' O ' ' B' ' 25' ' ' GLN . 48.1 mt-30 25.71 56.19 0.38 Allowed Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.391 -0.818 . . . . 10.0 110.86 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.493 ' HD3' ' HG3' ' B' ' 25' ' ' GLN . 45.3 Cg_endo -71.1 119.65 6.45 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 O-C-N 124.026 1.54 . . . . 10.0 110.73 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -70.05 -1.17 8.27 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 123.921 1.485 . . . . 10.0 110.353 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.537 ' O ' ' C ' ' B' ' 30' ' ' LEU . 1.9 m-20 -100.39 27.77 5.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.406 -0.809 . . . . 10.0 110.224 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.728 HD23 HD12 ' A' ' 14' ' ' LEU . 2.2 tp -29.73 -61.55 0.15 Allowed 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.148 0.499 . . . . 10.0 110.333 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' B' ' 30' ' ' LEU . 17.3 t -41.25 -67.75 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.25 -0.907 . . . . 10.0 109.237 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.474 ' CG ' ' HD3' ' A' ' 42' ' ' ARG . 6.7 t0 -49.26 -48.5 45.77 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 109.218 -0.66 . . . . 10.0 109.218 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.479 ' C ' ' HD1' ' B' ' 33' ' ' PHE . 0.5 OUTLIER -49.63 -58.66 4.84 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.601 -0.889 . . . . 10.0 108.601 178.697 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.579 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -40.67 -51.76 2.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.402 -0.811 . . . . 10.0 109.645 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.661 ' O ' ' HB ' ' B' ' 39' ' ' THR . 3.9 t -65.58 -56.42 15.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.135 -0.978 . . . . 10.0 109.679 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 35' ' ' VAL . 0.8 OUTLIER -39.67 -58.09 1.39 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.415 -0.803 . . . . 10.0 110.406 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.431 ' CE1' ' CD2' ' B' ' 41' ' ' LEU . 7.5 t80 -63.93 -76.84 0.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -0.889 . . . . 10.0 110.557 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.548 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 17.4 m-85 -42.0 -60.57 1.37 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.295 -0.878 . . . . 10.0 110.652 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.661 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 16.7 m -40.18 -48.44 2.55 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.075 -1.016 . . . . 10.0 109.779 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -39.41 69.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 10.0 109.385 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.516 ' HA ' HD12 ' B' ' 41' ' ' LEU . 0.0 OUTLIER -69.52 -22.36 63.59 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.57 -0.706 . . . . 10.0 109.585 179.416 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.523 ' NH1' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 10.0 109.431 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.543 ' HG ' HD11 ' B' ' 30' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.251 0.548 . . . . 10.0 110.276 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 13' ' ' GLU . 24.5 m -68.34 -68.7 0.37 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.269 -0.895 . . . . 10.0 110.117 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.5 mt-10 -36.91 -46.81 0.66 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.587 -0.696 . . . . 10.0 110.344 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.427 HD22 HD23 ' A' ' 41' ' ' LEU . 34.4 mt -62.67 -56.38 18.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 10.0 110.095 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.042 HD11 ' CD2' ' B' ' 15' ' ' LEU . 0.1 OUTLIER -45.53 -71.52 0.07 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.314 -0.866 . . . . 10.0 110.163 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.872 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.2 mp0 -42.11 -46.02 4.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.898 . . . . 10.0 109.964 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -57.77 -46.18 92.59 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.467 -1.453 . . . . 10.0 109.467 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -72.47 -45.39 59.73 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.047 -1.266 . . . . 10.0 109.481 179.684 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.41 -30.86 67.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -0.906 . . . . 10.0 109.583 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 16' ' ' GLN . 76.4 t -72.48 -29.6 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 10.0 109.983 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.712 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.5 mt-10 -72.86 -27.65 62.04 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 119.481 -0.888 . . . . 10.0 109.205 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.7 t -74.22 -35.03 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.719 -0.613 . . . . 10.0 109.894 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' A LEU . . . . . . . . . . . . . 80.9 mt -84.13 -18.13 37.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.881 . . . . 10.0 109.877 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -92.14 -66.54 0.92 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.403 -0.81 . . . . 10.0 110.18 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' OE1' ' CZ ' ' A' ' 33' ' ' PHE . 3.0 pt20 -81.07 -22.17 39.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 10.0 110.205 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER 41.09 81.88 0.24 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.361 -0.837 . . . . 10.0 110.016 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.628 ' HG3' ' CG ' ' A' ' 33' ' ' PHE . 44.0 Cg_endo -69.9 171.96 13.65 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 O-C-N 123.937 1.493 . . . . 10.0 110.619 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.5 -45.09 1.87 Allowed 'Trans proline' 0 C--N 1.304 -1.803 0 O-C-N 124.107 1.582 . . . . 10.0 110.53 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -128.77 124.45 35.52 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 10.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.567 HD22 ' HB2' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -69.99 -67.78 0.46 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.268 -0.895 . . . . 10.0 110.176 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.566 ' C ' ' O ' ' A' ' 30' ' ' LEU . 6.5 t -27.28 -61.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.751 . . . . 10.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.61 -47.44 83.78 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.522 -0.736 . . . . 10.0 109.93 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.628 ' CG ' ' HG3' ' A' ' 27' ' ' PRO . 69.4 t80 -60.29 -55.31 35.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.231 -0.918 . . . . 10.0 109.484 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.567 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -55.4 -25.61 36.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.296 -0.878 . . . . 10.0 109.688 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.563 HG22 ' N ' ' B' ' 39' ' ' THR . 2.2 t -83.96 -46.64 18.09 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 O-C-N 121.319 -0.863 . . . . 10.0 109.692 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -58.63 -42.11 87.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -0.818 . . . . 10.0 109.804 179.673 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.479 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 55.5 t80 -65.11 -67.75 0.41 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.881 . . . . 10.0 109.926 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.433 ' C ' ' CG2' ' B' ' 35' ' ' VAL . 7.2 m-85 -49.31 -47.13 47.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.261 -0.9 . . . . 10.0 110.206 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.571 ' N ' HG22 ' B' ' 35' ' ' VAL . 3.3 m -55.16 -38.99 68.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.189 -0.944 . . . . 10.0 110.059 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -65.79 -34.96 79.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.942 . . . . 10.0 109.993 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.427 HD23 HD22 ' A' ' 14' ' ' LEU . 9.9 mp -65.26 -42.16 93.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.298 -0.876 . . . . 10.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -66.98 -25.15 66.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 10.0 109.822 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 1.2 tp10 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.367 -0.833 . . . . 10.0 109.635 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.495 HD22 ' O ' ' B' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 121.247 0.546 . . . . 10.0 110.195 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.48 ' O ' ' C ' ' B' ' 13' ' ' GLU . 24.8 m -68.76 -68.27 0.41 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.173 -0.955 . . . . 10.0 110.156 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.4 mt-10 -37.6 -47.24 0.92 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.546 -0.721 . . . . 10.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.443 HD22 HD23 ' B' ' 41' ' ' LEU . 35.7 mt -62.29 -56.48 18.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.325 -0.859 . . . . 10.0 110.1 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 1.042 ' CD2' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -45.13 -71.84 0.07 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 10.0 110.118 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.876 ' O ' HG23 ' B' ' 20' ' ' VAL . 3.1 mp0 -42.09 -45.86 4.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.295 -0.878 . . . . 10.0 109.998 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -57.58 -46.26 92.27 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.407 -1.477 . . . . 10.0 109.407 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.732 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -72.25 -45.54 59.74 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.188 -1.183 . . . . 10.0 109.617 179.595 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -30.87 67.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.301 -0.874 . . . . 10.0 109.572 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.876 HG23 ' O ' ' B' ' 16' ' ' GLN . 75.1 t -72.37 -29.81 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 10.0 109.916 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.721 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.5 mt-10 -72.6 -27.66 62.31 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.176 -0.953 . . . . 10.0 109.197 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.7 t -74.12 -35.24 40.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.629 -0.669 . . . . 10.0 109.995 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' B LEU . . . . . . . . . . . . . 81.0 mt -83.99 -17.78 39.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.277 -0.889 . . . . 10.0 109.916 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -92.61 -66.56 0.92 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.33 -0.857 . . . . 10.0 110.123 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.9 pt20 -80.97 -22.08 39.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.869 . . . . 10.0 110.208 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.3 OUTLIER 40.81 82.03 0.23 Allowed Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.271 -0.893 . . . . 10.0 110.012 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.63 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 44.0 Cg_endo -69.9 172.02 13.54 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 O-C-N 124.066 1.561 . . . . 10.0 110.685 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.53 -44.57 2.15 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 O-C-N 124.07 1.563 . . . . 10.0 110.501 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.42 125.15 35.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.24 -0.913 . . . . 10.0 110.1 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.569 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.2 OUTLIER -70.45 -68.16 0.45 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.904 . . . . 10.0 110.199 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.569 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.3 t -26.95 -61.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.576 -0.702 . . . . 10.0 110.313 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.52 -47.71 82.73 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.637 -0.664 . . . . 10.0 109.939 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.63 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 69.5 t80 -60.07 -55.29 35.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.218 -0.926 . . . . 10.0 109.553 179.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.557 ' HB2' HD22 ' B' ' 30' ' ' LEU . . . -55.46 -25.8 38.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.316 -0.865 . . . . 10.0 109.69 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.571 HG22 ' N ' ' A' ' 39' ' ' THR . 2.2 t -83.46 -46.82 18.42 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 O-C-N 121.431 -0.793 . . . . 10.0 109.584 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' B' ' 37' ' ' TYR . 0.5 OUTLIER -58.71 -42.36 88.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 10.0 109.896 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.481 ' N ' ' CG ' ' B' ' 36' ' ' GLU . 54.1 t80 -64.7 -68.08 0.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 10.0 109.966 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.407 ' C ' ' CG2' ' A' ' 35' ' ' VAL . 7.9 m-85 -49.26 -46.79 46.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.275 -0.891 . . . . 10.0 110.212 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.563 ' N ' HG22 ' A' ' 35' ' ' VAL . 3.3 m -55.22 -38.54 68.57 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 10.0 110.068 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.0 ttt-85 -66.5 -35.49 80.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.326 -0.859 . . . . 10.0 109.949 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.443 HD23 HD22 ' B' ' 14' ' ' LEU . 10.0 mp -64.61 -42.56 95.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.909 . . . . 10.0 110.124 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.407 ' CB ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.919 . . . . 10.0 109.863 179.8 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.7 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.213 0.53 . . . . 10.0 110.04 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 16.3 m -41.93 -74.72 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.279 -0.888 . . . . 10.0 110.06 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.1 tt0 -35.45 -51.87 0.63 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.634 -0.666 . . . . 10.0 110.274 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' A' ' 14' ' ' LEU . 9.2 mt -67.25 -64.74 0.79 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.154 -0.966 . . . . 10.0 110.038 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 18' ' ' TYR . 22.5 mt -50.95 -57.21 9.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 10.0 110.032 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 12' ' ' THR . 2.7 tt0 -43.9 -57.44 3.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.185 -0.947 . . . . 10.0 109.763 179.73 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.532 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -48.28 -48.42 26.8 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 108.705 -1.758 . . . . 10.0 108.705 179.499 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.721 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -39.13 -61.13 0.8 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.498 -1.001 . . . . 10.0 110.129 179.457 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -50.87 -45.24 59.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.365 -0.834 . . . . 10.0 109.726 179.921 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.549 ' N ' HG22 ' A' ' 19' ' ' THR . 6.5 t -60.97 -27.4 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 10.0 110.304 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -87.4 -56.23 3.45 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.307 -0.871 . . . . 10.0 109.859 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 18' ' ' TYR . 2.7 t -57.31 -20.22 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.692 -0.63 . . . . 10.0 110.468 -179.641 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 19' ' ' THR . 6.2 mp -85.78 -46.56 10.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.089 -1.007 . . . . 10.0 109.837 179.566 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -54.33 18.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.348 -0.845 . . . . 10.0 110.102 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 26' ' ' GLN . 9.4 mm-40 -77.93 -28.45 49.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 10.0 110.281 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 2.0 tt0 38.12 70.61 1.22 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.38 -0.825 . . . . 10.0 110.315 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.598 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 43.7 Cg_endo -69.68 164.5 34.22 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 O-C-N 124.044 1.549 . . . . 10.0 110.507 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.41 -38.9 7.89 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 O-C-N 123.994 1.523 . . . . 10.0 110.269 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -127.8 148.17 50.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.376 -0.828 . . . . 10.0 109.895 179.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.713 ' HG ' HD22 ' B' ' 11' ' ' LEU . 0.4 OUTLIER -89.88 -56.18 3.34 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.23 -0.919 . . . . 10.0 110.149 -179.658 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 30' ' ' LEU . 16.7 t -34.56 -59.5 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.421 -0.8 . . . . 10.0 109.894 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.415 ' HA ' HH11 ' B' ' 42' ' ' ARG . 3.5 t0 -59.47 -48.59 81.05 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.785 -0.572 . . . . 10.0 110.144 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CD1' ' HG3' ' A' ' 27' ' ' PRO . 66.2 t80 -55.89 -33.67 64.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.123 -0.986 . . . . 10.0 109.505 179.534 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.693 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -64.99 -50.38 66.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.39 -0.819 . . . . 10.0 109.789 179.641 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.876 ' O ' ' HB ' ' A' ' 39' ' ' THR . 40.2 t -62.31 -38.25 80.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.408 -0.807 . . . . 10.0 110.644 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -38.19 83.68 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.04 -1.038 . . . . 10.0 110.762 -179.453 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.479 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 77.2 t80 -73.05 -70.57 0.35 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.104 -0.998 . . . . 10.0 110.688 -179.534 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.672 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 17.7 m-85 -51.61 -61.42 2.26 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.278 -0.889 . . . . 10.0 110.666 -179.495 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.876 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 8.2 m -41.34 -59.65 1.49 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.11 -0.994 . . . . 10.0 109.816 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -27.82 36.06 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.39 -0.819 . . . . 10.0 109.807 179.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.5 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -70.06 -53.69 16.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.277 -0.89 . . . . 10.0 109.711 179.747 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -57.44 -42.98 83.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.292 -0.88 . . . . 10.0 109.996 179.591 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.502 -0.749 . . . . 10.0 110.58 -179.57 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.722 HD23 ' N ' ' B' ' 11' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.23 0.538 . . . . 10.0 110.057 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 16.3 m -41.41 -75.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.287 -0.883 . . . . 10.0 110.083 179.896 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' B' ' 12' ' ' THR . 14.0 tt0 -35.54 -51.79 0.64 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.585 -0.697 . . . . 10.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' B' ' 14' ' ' LEU . 9.2 mt -67.08 -64.6 0.82 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.257 -0.902 . . . . 10.0 110.039 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLN . 22.7 mt -51.29 -57.37 9.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.306 -0.871 . . . . 10.0 110.111 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.7 tt0 -43.68 -57.25 3.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.18 -0.95 . . . . 10.0 109.749 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -48.17 -49.07 25.45 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.769 -1.732 . . . . 10.0 108.769 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.735 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.4 OUTLIER -38.91 -60.98 0.79 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.487 -1.008 . . . . 10.0 110.139 179.572 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -50.77 -45.41 59.02 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.25 -0.906 . . . . 10.0 109.769 179.778 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.553 ' N ' HG22 ' B' ' 19' ' ' THR . 6.4 t -61.09 -27.04 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.281 -0.887 . . . . 10.0 110.315 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.9 OUTLIER -87.79 -55.67 3.67 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.269 -0.894 . . . . 10.0 109.812 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 18' ' ' TYR . 2.8 t -57.71 -20.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.566 -0.709 . . . . 10.0 110.393 -179.592 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.579 ' HB2' ' O ' ' B' ' 19' ' ' THR . 6.0 mp -85.68 -46.78 10.41 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.19 -0.944 . . . . 10.0 109.842 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -54.54 17.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.869 . . . . 10.0 110.209 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' B' ' 26' ' ' GLN . 9.6 mm-40 -77.55 -28.54 51.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.899 . . . . 10.0 110.202 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 2.1 tt0 38.41 70.43 1.29 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.316 -0.865 . . . . 10.0 110.274 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.6 ' HG3' ' CD1' ' B' ' 33' ' ' PHE . 44.0 Cg_endo -69.73 164.46 34.42 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 O-C-N 124.063 1.56 . . . . 10.0 110.561 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.36 -39.53 7.16 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 O-C-N 124.097 1.577 . . . . 10.0 110.303 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -127.2 148.2 50.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.354 -0.841 . . . . 10.0 109.895 179.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.673 ' HG ' HD22 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -89.66 -56.23 3.33 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.185 -0.947 . . . . 10.0 110.237 -179.657 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' B' ' 30' ' ' LEU . 17.4 t -34.67 -59.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-O 121.808 0.813 . . . . 10.0 109.828 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.431 ' HA ' HH11 ' A' ' 42' ' ' ARG . 3.7 t0 -59.52 -48.42 81.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.734 -0.604 . . . . 10.0 110.161 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.6 ' CD1' ' HG3' ' B' ' 27' ' ' PRO . 67.3 t80 -56.15 -33.77 65.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.125 -0.984 . . . . 10.0 109.621 179.527 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.672 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -65.04 -50.35 66.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.406 -0.809 . . . . 10.0 109.853 179.699 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.875 ' O ' ' HB ' ' B' ' 39' ' ' THR . 42.8 t -62.59 -37.47 79.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.394 -0.816 . . . . 10.0 110.579 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -38.23 81.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.084 -1.01 . . . . 10.0 110.725 -179.569 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.465 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 76.1 t80 -72.93 -70.79 0.34 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.052 -1.03 . . . . 10.0 110.635 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.693 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 18.5 m-85 -51.22 -61.53 2.18 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.238 -0.914 . . . . 10.0 110.688 -179.527 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.875 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 9.0 m -40.98 -60.03 1.3 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.04 -1.038 . . . . 10.0 109.794 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -28.29 35.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -0.842 . . . . 10.0 109.827 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 0.5 OUTLIER -69.43 -54.14 15.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 10.0 109.869 179.595 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.566 ' CB ' ' CZ ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.227 -0.921 . . . . 10.0 109.848 179.629 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 11' ' ' LEU . 11.0 tp . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.222 0.534 . . . . 10.0 110.451 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 24.1 m -47.75 -79.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.157 -0.965 . . . . 10.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.81 -69.29 0.14 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.22 -0.925 . . . . 10.0 110.669 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.548 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 86.9 mt -45.48 -65.54 0.52 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.195 -0.941 . . . . 10.0 110.364 -179.683 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.05 HD11 HD11 ' B' ' 15' ' ' LEU . 4.0 tp -57.91 -72.91 0.08 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.189 -0.944 . . . . 10.0 110.558 -179.618 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -39.66 -31.25 0.09 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 10.0 110.242 -179.864 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.539 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -82.0 -47.04 6.37 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.607 -1.397 . . . . 10.0 109.607 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.815 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -73.39 -36.21 66.0 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.047 -1.267 . . . . 10.0 109.77 179.855 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.53 ' HA ' HD21 ' B' ' 11' ' ' LEU . 22.4 m -62.34 -40.46 96.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 10.0 109.922 179.683 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 3.5 t -65.48 -33.7 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.327 -0.858 . . . . 10.0 110.112 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.7 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.3 mt-10 -65.72 -50.53 64.51 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.129 -0.982 . . . . 10.0 108.996 179.539 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 18' ' ' TYR . 4.7 t -51.28 -46.95 34.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.383 0.611 . . . . 10.0 110.068 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' A LEU . . . . . . . . . . . . . 3.8 tp -73.83 -11.79 60.48 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.366 -0.834 . . . . 10.0 110.377 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.536 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -98.03 12.08 35.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.195 -0.941 . . . . 10.0 110.607 -179.821 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.68 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.8 OUTLIER -172.3 27.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.999 -1.063 . . . . 10.0 110.797 179.822 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.68 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.4 tt0 8.03 78.82 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.629 -0.669 . . . . 10.0 111.183 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.492 ' HG2' ' HB2' ' A' ' 30' ' ' LEU . 43.3 Cg_endo -69.87 132.26 22.8 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 O-C-N 123.985 1.519 . . . . 10.0 110.64 -179.802 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.99 -33.59 19.15 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 O-C-N 123.955 1.503 . . . . 10.0 110.293 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' ' C ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -107.31 26.32 10.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.262 -0.899 . . . . 10.0 109.702 179.786 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.532 ' HG ' ' CG1' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -31.17 -61.71 0.19 Allowed 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.534 -179.633 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.519 ' C ' ' O ' ' A' ' 30' ' ' LEU . 13.3 t -34.33 -60.41 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.479 -0.763 . . . . 10.0 109.669 179.631 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.482 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 3.1 t0 -59.1 -45.03 91.9 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.735 -0.603 . . . . 10.0 109.904 179.65 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' LEU . 17.5 t80 -61.56 -48.51 80.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.157 -0.964 . . . . 10.0 109.416 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.66 -28.18 31.68 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.394 -0.816 . . . . 10.0 109.535 179.391 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.729 HG21 ' HA ' ' B' ' 39' ' ' THR . 3.4 t -77.82 -54.89 11.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 O-C-N 121.344 -0.847 . . . . 10.0 109.573 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.0 mt-10 -53.01 -36.06 60.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.398 -0.814 . . . . 10.0 109.787 179.493 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 18' ' ' TYR . 9.0 t80 -59.69 -63.53 1.27 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.862 . . . . 10.0 109.994 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 22.8 m-85 -69.01 -53.54 20.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 10.0 110.06 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.698 ' HA ' HG21 ' B' ' 35' ' ' VAL . 4.4 m -43.56 -31.0 0.65 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.15 -0.969 . . . . 10.0 109.633 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 11.4 mtt180 -74.23 -41.35 61.47 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.374 -0.829 . . . . 10.0 110.002 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HA ' HD13 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -52.45 -29.12 23.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 10.0 110.07 179.756 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -35.84 71.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -0.858 . . . . 10.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.919 . . . . 10.0 110.002 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' B' ' 11' ' ' LEU . 10.9 tp . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.279 0.561 . . . . 10.0 110.409 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.512 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 25.1 m -47.13 -79.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.136 -0.977 . . . . 10.0 110.405 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -69.63 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.918 . . . . 10.0 110.562 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.539 ' HB3' ' CE1' ' B' ' 38' ' ' PHE . 87.0 mt -45.07 -65.51 0.52 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.213 -0.93 . . . . 10.0 110.415 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 1.05 HD11 HD11 ' A' ' 15' ' ' LEU . 3.9 tp -58.06 -72.94 0.08 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.229 -0.919 . . . . 10.0 110.483 -179.623 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -39.59 -31.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.153 -0.967 . . . . 10.0 110.261 -179.831 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -81.99 -46.91 6.44 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.677 -1.369 . . . . 10.0 109.677 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.803 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -73.59 -36.23 65.51 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.123 -1.222 . . . . 10.0 109.691 179.83 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.492 ' HA ' HD21 ' A' ' 11' ' ' LEU . 22.0 m -62.17 -40.27 95.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.829 . . . . 10.0 109.965 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 3.4 t -65.79 -33.59 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.304 -0.872 . . . . 10.0 110.083 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.712 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.3 mt-10 -65.73 -50.46 64.71 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.11 -0.994 . . . . 10.0 109.047 179.559 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.803 HG23 ' O ' ' B' ' 18' ' ' TYR . 4.6 t -51.06 -47.82 30.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 CA-C-O 121.361 0.601 . . . . 10.0 110.119 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 23' B LEU . . . . . . . . . . . . . 3.8 tp -73.13 -12.65 60.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.379 -0.826 . . . . 10.0 110.334 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 1.1 tpt180 -97.08 11.91 34.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.164 -0.96 . . . . 10.0 110.64 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.678 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.7 OUTLIER -172.16 27.05 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.114 -0.991 . . . . 10.0 110.69 179.799 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.678 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.5 tt0 8.18 78.79 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.542 -0.724 . . . . 10.0 111.215 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' B' ' 30' ' ' LEU . 43.1 Cg_endo -69.98 131.96 22.0 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 O-C-N 123.96 1.505 . . . . 10.0 110.511 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.08 -33.82 18.28 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 123.993 1.523 . . . . 10.0 110.244 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.7 OUTLIER -106.85 26.3 10.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.309 -0.87 . . . . 10.0 109.7 179.693 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.543 ' HG ' ' CG1' ' B' ' 22' ' ' VAL . 0.6 OUTLIER -31.18 -61.63 0.19 Allowed 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.458 -179.624 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.516 ' C ' ' O ' ' B' ' 30' ' ' LEU . 14.2 t -34.59 -60.55 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 CA-C-O 121.762 0.791 . . . . 10.0 109.603 179.764 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.478 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 2.7 t0 -58.76 -44.97 90.74 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.717 -0.614 . . . . 10.0 109.915 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.406 ' HD2' HD23 ' B' ' 30' ' ' LEU . 17.6 t80 -61.59 -48.23 81.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.149 -0.969 . . . . 10.0 109.386 179.293 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.01 -28.12 36.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.355 -0.841 . . . . 10.0 109.558 179.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 39' ' ' THR . 3.2 t -77.69 -54.45 12.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 O-C-N 121.427 -0.795 . . . . 10.0 109.501 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' B' ' 40' ' ' ARG . 3.1 mt-10 -53.6 -36.64 62.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.267 -0.895 . . . . 10.0 109.801 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' B' ' 18' ' ' TYR . 9.1 t80 -59.0 -63.16 1.4 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.346 -0.846 . . . . 10.0 110.006 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' B' ' 14' ' ' LEU . 22.9 m-85 -69.3 -53.35 20.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 10.0 110.056 179.863 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.729 ' HA ' HG21 ' A' ' 35' ' ' VAL . 4.5 m -43.77 -30.47 0.66 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.102 -0.999 . . . . 10.0 109.722 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' B' ' 36' ' ' GLU . 10.9 mtt180 -74.7 -41.7 59.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.408 -0.807 . . . . 10.0 109.897 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' B' ' 41' ' ' LEU . 0.2 OUTLIER -52.41 -29.44 24.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 10.0 109.968 179.871 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' B' ' 42' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 10.0 110.194 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.675 ' HG ' HD22 ' B' ' 30' ' ' LEU . 2.1 mp . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.18 0.514 . . . . 10.0 110.127 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 13' ' ' GLU . 1.3 m -40.62 -68.44 0.18 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.32 -0.862 . . . . 10.0 110.069 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.538 ' N ' HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER -40.91 -55.65 2.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.469 -0.77 . . . . 10.0 110.387 179.909 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.512 HD23 HD23 ' B' ' 30' ' ' LEU . 54.6 tp -60.07 -60.74 3.35 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.186 -0.946 . . . . 10.0 110.449 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.707 HD21 ' CE2' ' B' ' 18' ' ' TYR . 73.0 mt -54.14 -68.16 0.2 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.258 -0.901 . . . . 10.0 110.386 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.497 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 0.9 OUTLIER -39.39 -44.54 1.35 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.207 -0.933 . . . . 10.0 110.048 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.464 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -47.08 -47.64 20.21 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 108.958 -1.657 . . . . 10.0 108.958 179.604 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.845 ' HE1' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -73.71 -47.49 39.09 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.138 -1.213 . . . . 10.0 109.0 179.348 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.547 ' OG1' ' CD1' ' B' ' 15' ' ' LEU . 8.5 m -50.52 -33.01 19.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.788 -1.195 . . . . 10.0 110.527 179.032 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 16' ' ' GLN . 65.4 t -74.69 -34.91 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.134 -0.979 . . . . 10.0 110.841 -179.454 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.784 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -66.52 -53.74 31.56 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.084 -1.01 . . . . 10.0 109.361 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.845 HG21 ' HE1' ' A' ' 18' ' ' TYR . 6.1 t -48.36 -45.98 13.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.793 -0.567 . . . . 10.0 110.17 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 23' A LEU . 14.2 mt -60.28 -29.64 68.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.228 -0.92 . . . . 10.0 109.826 179.652 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.71 24.4 1.47 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.263 -0.898 . . . . 10.0 110.573 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -167.26 -37.24 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.157 -0.964 . . . . 10.0 110.128 179.595 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 2.0 tm0? 57.01 80.58 0.28 Allowed Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.451 -0.781 . . . . 10.0 110.212 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.461 ' CD ' HG13 ' A' ' 22' ' ' VAL . 43.0 Cg_endo -70.0 169.33 19.49 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 O-C-N 124.015 1.534 . . . . 10.0 110.532 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.467 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 43.2 Cg_endo -69.4 -8.02 22.5 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 124.067 1.562 . . . . 10.0 110.482 179.843 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.467 ' OD1' ' HG2' ' A' ' 28' ' ' PRO . 0.5 OUTLIER -171.87 130.07 0.65 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.277 -0.89 . . . . 10.0 110.055 179.958 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.694 HD11 ' CE1' ' A' ' 18' ' ' TYR . 19.3 tp -78.12 -55.99 4.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.197 -0.939 . . . . 10.0 110.566 -179.704 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.603 HG12 ' HG2' ' B' ' 42' ' ' ARG . 23.4 t -29.52 -67.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 CA-C-O 121.662 0.744 . . . . 10.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.22 -42.8 63.87 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.649 -0.657 . . . . 10.0 110.088 179.714 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 4.0 t80 -62.89 -47.64 82.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.081 -1.012 . . . . 10.0 109.478 179.338 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.03 -32.49 47.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.356 -0.84 . . . . 10.0 109.701 179.385 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.795 HG23 ' HB3' ' B' ' 38' ' ' PHE . 2.8 t -87.88 -54.48 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 121.267 -0.895 . . . . 10.0 110.208 -179.77 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -38.13 55.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.282 -0.886 . . . . 10.0 110.237 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.494 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 85.3 t80 -71.68 -55.48 7.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 10.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.784 ' HB3' HG23 ' B' ' 35' ' ' VAL . 8.2 m-85 -68.86 -53.25 22.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.139 -0.976 . . . . 10.0 110.314 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.58 ' HA ' HG21 ' B' ' 35' ' ' VAL . 17.9 m -45.43 -43.49 11.37 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.06 -1.025 . . . . 10.0 109.884 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -41.59 89.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.275 -0.891 . . . . 10.0 109.877 179.633 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 9.4 mt -56.37 -37.21 69.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.949 . . . . 10.0 109.721 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.576 ' HG2' HG12 ' B' ' 31' ' ' VAL . 9.3 mmm180 -72.06 -27.81 62.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.284 -0.885 . . . . 10.0 109.801 179.626 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.483 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 1.3 tp10 . . . . . 0 N--CA 1.488 1.474 0 O-C-N 121.42 -0.8 . . . . 10.0 109.757 179.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.606 ' HG ' HD22 ' A' ' 30' ' ' LEU . 2.2 mp . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.249 0.547 . . . . 10.0 110.24 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.544 HG22 ' N ' ' B' ' 13' ' ' GLU . 1.3 m -40.21 -68.3 0.18 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.405 -0.81 . . . . 10.0 110.167 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.544 ' N ' HG22 ' B' ' 12' ' ' THR . 0.0 OUTLIER -41.05 -55.86 2.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.467 -0.771 . . . . 10.0 110.303 179.899 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.622 HD23 HD23 ' A' ' 30' ' ' LEU . 55.7 tp -59.67 -60.88 3.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.289 -0.882 . . . . 10.0 110.445 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.718 HD21 ' CE2' ' A' ' 18' ' ' TYR . 73.2 mt -54.02 -68.38 0.18 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.243 -0.911 . . . . 10.0 110.411 -179.863 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.5 ' HA ' ' HB ' ' B' ' 19' ' ' THR . 0.9 OUTLIER -39.2 -44.69 1.25 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.254 -0.904 . . . . 10.0 110.058 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -46.95 -47.34 19.68 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.951 -1.66 . . . . 10.0 108.951 179.562 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.837 ' CD1' ' C ' ' B' ' 18' ' ' TYR . 0.0 OUTLIER -74.09 -47.97 32.84 Favored 'General case' 0 C--N 1.308 -1.232 0 O-C-N 121.132 -1.217 . . . . 10.0 108.978 179.411 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.502 ' OG1' ' CD1' ' A' ' 15' ' ' LEU . 8.8 m -50.24 -32.76 17.51 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.819 -1.175 . . . . 10.0 110.519 178.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 16' ' ' GLN . 61.5 t -75.02 -34.49 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.163 -0.961 . . . . 10.0 110.887 -179.498 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.783 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.7 OUTLIER -66.97 -53.7 29.04 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.098 -1.002 . . . . 10.0 109.214 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.824 HG21 ' HE1' ' B' ' 18' ' ' TYR . 6.5 t -48.28 -46.26 13.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.766 -0.583 . . . . 10.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.487 ' HA ' HD23 ' B' ' 23' B LEU . 14.2 mt -60.08 -29.34 68.5 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.195 -0.941 . . . . 10.0 109.89 179.648 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.78 23.97 1.58 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 10.0 110.516 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' B' ' 26' ' ' GLN . 0.5 OUTLIER -166.98 -37.01 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.221 -0.925 . . . . 10.0 110.211 179.676 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' B' ' 25' ' ' GLN . 2.0 tm0? 57.07 80.72 0.28 Allowed Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.403 -0.811 . . . . 10.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.462 ' CD ' HG13 ' B' ' 22' ' ' VAL . 42.9 Cg_endo -70.06 169.02 20.28 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 O-C-N 124.072 1.564 . . . . 10.0 110.543 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.467 ' HG2' ' OD1' ' B' ' 29' ' ' ASP . 42.4 Cg_endo -69.48 -7.4 20.87 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 123.956 1.503 . . . . 10.0 110.387 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.467 ' OD1' ' HG2' ' B' ' 28' ' ' PRO . 0.5 OUTLIER -172.27 130.73 0.6 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.237 -0.914 . . . . 10.0 109.918 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.688 HD11 ' OH ' ' B' ' 18' ' ' TYR . 17.0 tp -79.05 -56.29 4.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.883 . . . . 10.0 110.612 -179.705 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.584 ' C ' ' O ' ' B' ' 30' ' ' LEU . 25.0 t -29.19 -67.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.473 -0.767 . . . . 10.0 110.293 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.47 -43.1 64.78 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.596 -0.69 . . . . 10.0 110.109 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' B' ' 33' ' ' PHE . 4.0 t80 -62.66 -47.42 83.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.119 -0.988 . . . . 10.0 109.574 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.97 -32.86 48.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -0.864 . . . . 10.0 109.796 179.285 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.784 HG23 ' HB3' ' A' ' 38' ' ' PHE . 2.8 t -87.85 -54.22 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.23 -0.919 . . . . 10.0 110.162 -179.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -38.74 57.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.22 -0.925 . . . . 10.0 110.111 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.484 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 84.7 t80 -71.12 -55.79 7.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.173 -0.955 . . . . 10.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.795 ' HB3' HG23 ' A' ' 35' ' ' VAL . 8.5 m-85 -68.62 -52.71 28.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.262 -0.899 . . . . 10.0 110.416 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.639 ' HA ' HG21 ' A' ' 35' ' ' VAL . 16.8 m -45.88 -43.5 13.69 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.158 -0.964 . . . . 10.0 109.856 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -41.93 88.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.253 -0.905 . . . . 10.0 109.794 179.556 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 9.4 mt -56.19 -37.57 69.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.223 -0.923 . . . . 10.0 109.798 179.61 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.603 ' HG2' HG12 ' A' ' 31' ' ' VAL . 9.3 mmm180 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.251 -0.906 . . . . 10.0 109.902 179.685 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.814 HD11 HD22 ' A' ' 15' ' ' LEU . 2.4 tm? . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.333 0.587 . . . . 10.0 109.97 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 63.3 m -44.65 -50.21 9.95 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.244 -0.91 . . . . 10.0 110.046 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.6 tp10 -39.31 -59.66 1.02 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.435 -0.79 . . . . 10.0 110.315 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 14' ' ' LEU . 1.6 mm? -56.14 -61.77 2.16 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.344 -0.848 . . . . 10.0 110.195 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.814 HD22 HD11 ' A' ' 11' ' ' LEU . 6.9 mp -54.77 -58.75 6.33 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.256 -0.902 . . . . 10.0 110.307 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -40.35 -53.13 2.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.183 -0.948 . . . . 10.0 109.64 179.746 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -40.9 -55.16 3.44 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.727 -1.749 . . . . 10.0 108.727 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.613 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 1.2 t80 -46.41 -65.58 0.53 Allowed 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.256 -1.144 . . . . 10.0 110.046 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 23' A LEU . 1.2 m -42.72 -37.61 1.8 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 10.0 110.093 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 16' ' ' GLN . 43.9 t -70.98 -25.62 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.337 -0.852 . . . . 10.0 110.224 -179.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.613 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -88.77 -56.03 3.46 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.136 -0.978 . . . . 10.0 109.405 179.72 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.5 ' HA ' ' CD ' ' A' ' 27' ' ' PRO . 11.9 t -50.61 -22.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.603 -0.686 . . . . 10.0 110.046 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' A LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 19' ' ' THR . 4.0 mp -90.07 -37.14 14.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.367 -0.833 . . . . 10.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -76.16 5.76 6.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 10.0 110.993 -179.415 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.642 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.4 pt20 -162.35 16.05 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.926 -1.109 . . . . 10.0 110.987 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.642 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 17.95 77.16 0.15 Allowed Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.408 -0.808 . . . . 10.0 110.803 179.886 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.5 ' CD ' ' HA ' ' A' ' 22' ' ' VAL . 43.3 Cg_endo -69.41 168.73 20.27 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 123.984 1.518 . . . . 10.0 110.728 -179.563 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.18 -51.75 0.41 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 O-C-N 124.042 1.548 . . . . 10.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -151.26 144.61 24.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.266 -0.896 . . . . 10.0 110.105 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.758 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -70.21 -50.06 43.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 10.0 109.468 179.8 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.166 HG13 ' NH1' ' B' ' 42' ' ' ARG . 72.4 t -23.35 -72.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 121.658 0.742 . . . . 10.0 110.771 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -60.51 -58.52 8.15 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.515 -0.741 . . . . 10.0 109.585 179.664 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -43.52 -62.9 0.94 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 10.0 108.925 178.908 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 38' ' ' PHE . . . -40.4 -45.24 2.14 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.499 -0.751 . . . . 10.0 110.14 179.551 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.73 ' O ' ' HB ' ' A' ' 39' ' ' THR . 3.9 t -78.44 -50.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.188 -0.945 . . . . 10.0 110.662 -179.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -58.64 -46.67 86.6 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.196 -0.94 . . . . 10.0 110.609 -179.427 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.543 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 4.1 t80 -68.7 -57.87 5.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.07 . . . . 10.0 110.247 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.728 ' O ' ' NE ' ' A' ' 42' ' ' ARG . 10.5 m-85 -56.28 -70.05 0.13 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.287 -0.883 . . . . 10.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.73 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 1.8 m -39.07 -29.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.067 -1.02 . . . . 10.0 109.952 179.786 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -77.27 -35.8 54.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.283 -0.885 . . . . 10.0 109.948 179.495 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.736 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -57.97 -61.09 2.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 10.0 109.917 179.751 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 1.184 ' NH1' HG13 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -37.32 -40.08 0.32 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.393 -0.817 . . . . 10.0 110.014 -179.647 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 N--CA 1.493 1.706 0 O-C-N 121.328 -0.858 . . . . 10.0 110.091 179.954 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.834 HD11 HD22 ' B' ' 15' ' ' LEU . 2.4 tm? . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.255 0.55 . . . . 10.0 109.838 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 63.2 m -44.68 -50.12 10.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 10.0 109.959 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.6 tp10 -39.43 -59.77 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.452 -0.78 . . . . 10.0 110.354 179.849 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' B' ' 14' ' ' LEU . 1.6 mm? -56.15 -61.57 2.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.312 -0.868 . . . . 10.0 110.249 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.834 HD22 HD11 ' B' ' 11' ' ' LEU . 6.7 mp -54.76 -58.83 5.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.234 -0.917 . . . . 10.0 110.338 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -40.5 -52.85 2.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.177 -0.952 . . . . 10.0 109.618 179.694 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -41.0 -54.91 3.55 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.72 -1.752 . . . . 10.0 108.72 179.416 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.604 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 1.1 t80 -46.59 -65.58 0.54 Allowed 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.275 -1.132 . . . . 10.0 110.18 179.331 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' B' ' 23' B LEU . 1.2 m -42.5 -37.6 1.68 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.408 -0.808 . . . . 10.0 110.205 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 16' ' ' GLN . 44.1 t -70.97 -25.66 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.29 -0.881 . . . . 10.0 110.343 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.604 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -88.73 -55.68 3.61 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.084 -1.01 . . . . 10.0 109.464 179.735 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.49 ' HA ' ' CD ' ' B' ' 27' ' ' PRO . 11.5 t -51.02 -22.93 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.716 -0.615 . . . . 10.0 110.04 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 23' B LEU . . . . . 0.518 ' HB2' ' O ' ' B' ' 19' ' ' THR . 4.1 mp -89.9 -37.26 14.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.297 -0.877 . . . . 10.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' B' ' 24' ' ' ARG . 0.0 OUTLIER -76.3 6.07 6.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -0.913 . . . . 10.0 110.913 -179.391 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . 0.642 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.4 pt20 -162.5 16.04 0.08 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.891 -1.131 . . . . 10.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.642 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 17.48 77.18 0.14 Allowed Pre-proline 0 N--CA 1.5 2.031 0 O-C-N 121.433 -0.792 . . . . 10.0 110.747 179.835 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.499 ' HD3' ' HG2' ' B' ' 25' ' ' GLN . 43.9 Cg_endo -69.39 169.02 19.4 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.03 1.542 . . . . 10.0 110.683 -179.524 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.09 -51.96 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 123.992 1.522 . . . . 10.0 110.445 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -151.64 143.81 23.97 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.228 -0.92 . . . . 10.0 110.035 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.759 ' H ' HD22 ' B' ' 30' ' ' LEU . 0.4 OUTLIER -69.1 -49.71 54.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.267 -0.896 . . . . 10.0 109.444 179.694 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 1.184 HG13 ' NH1' ' A' ' 42' ' ' ARG . 71.9 t -23.01 -72.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 CA-C-O 121.64 0.733 . . . . 10.0 110.825 179.533 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.506 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -60.91 -57.93 10.58 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.647 -0.658 . . . . 10.0 109.577 179.664 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' B' ' 37' ' ' TYR . 0.6 OUTLIER -43.89 -62.49 1.1 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.225 -0.922 . . . . 10.0 108.985 178.854 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.603 ' O ' ' CD2' ' B' ' 38' ' ' PHE . . . -40.76 -44.65 2.26 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.483 -0.761 . . . . 10.0 110.116 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.731 ' O ' ' HB ' ' B' ' 39' ' ' THR . 3.6 t -78.97 -50.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.106 -0.996 . . . . 10.0 110.609 -179.643 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.535 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.7 OUTLIER -58.21 -46.47 85.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.079 -1.013 . . . . 10.0 110.582 -179.382 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' B' ' 33' ' ' PHE . 4.3 t80 -68.96 -58.39 4.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.053 -1.03 . . . . 10.0 110.255 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.72 ' O ' ' NE ' ' B' ' 42' ' ' ARG . 10.8 m-85 -55.91 -69.9 0.13 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.156 -0.965 . . . . 10.0 109.964 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.731 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 1.8 m -39.09 -29.54 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.121 -0.987 . . . . 10.0 109.89 179.802 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -77.27 -35.43 55.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.258 -0.901 . . . . 10.0 109.958 179.535 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.735 ' HB3' ' NH1' ' B' ' 42' ' ' ARG . 0.6 OUTLIER -57.91 -61.3 2.63 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.135 -0.978 . . . . 10.0 109.784 179.766 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 1.166 ' NH1' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.836 0 O-C-N 121.375 -0.828 . . . . 10.0 110.012 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.261 0.553 . . . . 10.0 110.232 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 34.0 mtp -120.5 -48.81 2.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.258 -0.901 . . . . 10.0 110.088 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.01 158.96 17.57 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.683 -1.367 . . . . 10.0 109.683 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -129.23 -2.82 5.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.329 -1.101 . . . . 10.0 110.207 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.3 mm -109.19 152.39 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.232 -0.918 . . . . 10.0 110.278 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.722 ' HG3' HD23 ' B' ' 23' B LEU . 0.0 OUTLIER -143.69 48.65 1.42 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.301 -0.874 . . . . 10.0 110.064 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.458 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 19.4 mm -137.72 96.16 10.78 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.242 -0.911 . . . . 10.0 110.263 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.581 ' HB2' ' HB2' ' A' ' 11' ' ' LEU . 48.0 Cg_endo -72.23 110.67 3.01 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 O-C-N 124.0 1.526 . . . . 10.0 110.653 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 49.5 Cg_endo -75.75 146.42 30.04 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 O-C-N 124.076 1.566 . . . . 10.0 110.857 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.76 10.19 30.27 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.839 -1.304 . . . . 10.0 109.839 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.631 HD13 ' C ' ' A' ' 11' ' ' LEU . 2.7 tm? -88.76 -40.74 12.99 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.112 -1.228 . . . . 10.0 110.174 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 13' ' ' GLU . 74.4 m -59.06 -70.7 0.14 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.931 . . . . 10.0 110.12 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.3 tp10 -42.04 -61.81 1.07 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.403 -0.81 . . . . 10.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.519 ' HA ' HD23 ' A' ' 14' ' ' LEU . 8.1 mt -43.58 -62.09 1.19 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.192 -0.943 . . . . 10.0 110.082 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 11' ' ' LEU . 18.2 mt -52.46 -50.31 62.9 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.17 -0.956 . . . . 10.0 110.054 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.24 -61.68 1.12 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.903 . . . . 10.0 110.002 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -44.42 -49.48 8.38 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.066 -1.614 . . . . 10.0 109.066 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.666 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -41.33 -62.89 0.77 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.41 -1.053 . . . . 10.0 110.253 179.718 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.583 ' O ' ' HB2' ' A' ' 23' A LEU . 0.6 OUTLIER -50.28 -35.69 28.3 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.345 -0.847 . . . . 10.0 109.95 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.566 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 42.1 t -70.56 -24.51 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.263 -0.898 . . . . 10.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' OE2' ' CZ ' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -90.86 -64.32 1.15 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.167 -0.958 . . . . 10.0 110.066 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.545 HG22 ' CE2' ' A' ' 33' ' ' PHE . 9.8 t -45.68 -27.11 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.626 -0.671 . . . . 10.0 110.687 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.761 HD23 ' HG3' ' B' ' 6' ' ' GLN . 4.5 mp -88.47 -41.22 12.9 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.981 -1.074 . . . . 10.0 110.545 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -71.41 1.37 6.42 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.1 -1.0 . . . . 10.0 110.551 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.693 ' O ' ' C ' ' A' ' 26' ' ' GLN . 16.8 pt20 -159.2 20.58 0.19 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.092 -1.005 . . . . 10.0 110.614 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' A' ' 25' ' ' GLN . 8.9 mt-30 0.59 89.42 0.03 OUTLIER Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.701 -0.624 . . . . 10.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 26' ' ' GLN . 42.4 Cg_endo -68.88 160.48 49.59 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 123.974 1.513 . . . . 10.0 110.694 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.53 -8.41 23.52 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 O-C-N 124.072 1.564 . . . . 10.0 110.635 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 1.9 m-20 -168.33 139.6 2.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 10.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.526 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -82.78 -62.89 1.48 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.264 -0.897 . . . . 10.0 110.189 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 30' ' ' LEU . 12.1 t -34.37 -63.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.361 -0.837 . . . . 10.0 110.098 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -58.86 -41.54 87.25 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.539 -0.726 . . . . 10.0 110.144 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CE2' HG22 ' A' ' 22' ' ' VAL . 79.8 t80 -64.74 -34.47 78.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.262 -0.899 . . . . 10.0 109.703 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.666 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -67.87 -39.33 83.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.378 -0.826 . . . . 10.0 109.735 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.641 HG23 ' HB3' ' B' ' 38' ' ' PHE . 5.2 t -71.14 -42.33 75.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.416 -0.803 . . . . 10.0 110.135 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.52 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 6.0 mm-40 -69.04 -54.86 12.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.215 -0.928 . . . . 10.0 110.527 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.539 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 41.2 t80 -55.94 -49.71 72.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.189 -0.945 . . . . 10.0 110.686 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.589 ' HB3' HG23 ' B' ' 35' ' ' VAL . 13.6 m-85 -70.34 -51.27 31.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.172 -0.955 . . . . 10.0 110.579 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.657 ' HA ' HG21 ' B' ' 35' ' ' VAL . 16.2 m -45.02 -36.96 3.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.988 -1.07 . . . . 10.0 109.746 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.52 ' HD2' ' O ' ' A' ' 36' ' ' GLU . 20.2 mtt180 -79.77 -38.24 33.59 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.872 . . . . 10.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.463 HD23 HG13 ' B' ' 31' ' ' VAL . 35.5 tp -46.96 -33.33 4.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.152 -0.968 . . . . 10.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.441 HH21 HG11 ' B' ' 35' ' ' VAL . 0.0 OUTLIER -59.83 -32.71 70.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 10.0 110.093 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.521 ' O ' ' HB3' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -103.45 9.7 37.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.883 . . . . 10.0 110.275 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.497 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -39.15 -69.05 0.14 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.263 -0.898 . . . . 10.0 110.534 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -32.93 -36.84 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 121.326 0.584 . . . . 10.0 110.889 -178.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.521 ' HB3' ' O ' ' A' ' 43' ' ' GLU . 35.4 ttt180 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 117.96 -1.019 . . . . 10.0 110.15 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.277 0.56 . . . . 10.0 110.217 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 33.3 mtp -121.02 -48.99 2.21 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.256 -0.902 . . . . 10.0 110.1 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.39 159.94 21.29 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.587 -1.405 . . . . 10.0 109.587 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -130.24 -1.72 4.52 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.246 -1.149 . . . . 10.0 110.215 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.3 mm -110.24 151.85 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.28 -0.888 . . . . 10.0 110.314 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.761 ' HG3' HD23 ' A' ' 23' A LEU . 0.0 OUTLIER -143.28 49.73 1.43 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.251 -0.905 . . . . 10.0 110.13 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.462 ' O ' ' HD3' ' B' ' 9' ' ' PRO . 20.1 mm -138.65 96.1 9.69 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.264 -0.898 . . . . 10.0 110.268 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.582 ' HB2' ' HB2' ' B' ' 11' ' ' LEU . 47.3 Cg_endo -72.16 110.7 3.01 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 123.969 1.51 . . . . 10.0 110.651 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' B' ' 7' ' ' ILE . 49.0 Cg_endo -75.84 146.54 29.86 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 O-C-N 124.02 1.537 . . . . 10.0 110.767 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.52 10.41 29.76 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.967 -1.253 . . . . 10.0 109.967 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.633 HD13 ' C ' ' B' ' 11' ' ' LEU . 2.7 tm? -88.81 -40.78 12.92 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.155 -1.203 . . . . 10.0 110.197 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.425 ' O ' ' C ' ' B' ' 13' ' ' GLU . 72.5 m -59.04 -70.63 0.14 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.234 -0.916 . . . . 10.0 110.131 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.3 tp10 -41.84 -61.92 1.01 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.42 -0.8 . . . . 10.0 110.235 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.518 ' HA ' HD23 ' B' ' 14' ' ' LEU . 8.3 mt -43.58 -62.06 1.2 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.212 -0.93 . . . . 10.0 110.143 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.598 HD12 HD11 ' B' ' 11' ' ' LEU . 18.1 mt -52.45 -50.26 62.97 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.893 . . . . 10.0 110.071 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' B' ' 17' ' ' GLY . 0.0 OUTLIER -42.26 -61.86 1.08 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 10.0 109.982 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -44.41 -49.59 8.33 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.125 -1.59 . . . . 10.0 109.125 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.666 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.5 OUTLIER -41.17 -62.77 0.78 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.382 -1.069 . . . . 10.0 110.193 179.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.577 ' O ' ' HB2' ' B' ' 23' B LEU . 0.6 OUTLIER -50.44 -35.87 30.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.301 -0.875 . . . . 10.0 109.91 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.573 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 39.6 t -70.32 -24.49 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.27 -0.894 . . . . 10.0 110.499 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.506 ' OE2' ' CZ ' ' B' ' 37' ' ' TYR . 0.6 OUTLIER -90.84 -64.8 1.08 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.116 -0.99 . . . . 10.0 110.106 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.539 HG22 ' CE2' ' B' ' 33' ' ' PHE . 10.4 t -45.14 -27.35 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.692 -0.63 . . . . 10.0 110.67 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.722 HD23 ' HG3' ' A' ' 6' ' ' GLN . 4.4 mp -88.38 -41.19 12.98 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.063 -1.023 . . . . 10.0 110.504 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.1 OUTLIER -71.13 0.92 6.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.051 -1.031 . . . . 10.0 110.596 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.692 ' O ' ' C ' ' B' ' 26' ' ' GLN . 17.1 pt20 -158.74 19.68 0.21 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.035 -1.041 . . . . 10.0 110.661 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.692 ' C ' ' O ' ' B' ' 25' ' ' GLN . 9.1 mt-30 1.72 89.3 0.03 OUTLIER Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.693 -0.629 . . . . 10.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.85 160.55 49.25 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 O-C-N 124.016 1.535 . . . . 10.0 110.68 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.39 -9.34 25.98 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 124.048 1.552 . . . . 10.0 110.623 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -167.79 139.52 3.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.193 -0.942 . . . . 10.0 110.214 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.531 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.3 OUTLIER -82.46 -63.58 1.35 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.19 -0.944 . . . . 10.0 110.236 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.531 ' C ' ' O ' ' B' ' 30' ' ' LEU . 10.7 t -33.75 -63.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.462 -0.774 . . . . 10.0 110.067 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -59.59 -42.27 92.19 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.589 -0.694 . . . . 10.0 110.089 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.539 ' CE2' HG22 ' B' ' 22' ' ' VAL . 76.3 t80 -64.14 -34.3 77.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.195 -0.941 . . . . 10.0 109.734 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.666 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -67.95 -39.15 83.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.397 -0.814 . . . . 10.0 109.767 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' A' ' 39' ' ' THR . 5.6 t -71.42 -42.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 10.0 110.08 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.518 ' O ' ' HD2' ' B' ' 40' ' ' ARG . 6.0 mm-40 -69.11 -54.94 12.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 10.0 110.5 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.506 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 39.9 t80 -55.61 -50.4 70.23 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.21 -0.931 . . . . 10.0 110.683 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.641 ' HB3' HG23 ' A' ' 35' ' ' VAL . 13.8 m-85 -69.73 -51.59 32.9 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.112 -0.992 . . . . 10.0 110.578 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.636 ' HA ' HG21 ' A' ' 35' ' ' VAL . 16.4 m -45.06 -36.36 3.5 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.957 -1.089 . . . . 10.0 109.716 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.518 ' HD2' ' O ' ' B' ' 36' ' ' GLU . 21.3 mtt180 -79.94 -38.12 33.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.262 -0.899 . . . . 10.0 110.249 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.508 HD23 HG13 ' A' ' 31' ' ' VAL . 34.4 tp -47.2 -32.94 4.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.233 -0.917 . . . . 10.0 110.073 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.473 HH21 HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -60.03 -33.11 71.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.271 -0.893 . . . . 10.0 110.077 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' B' ' 46' ' ' ARG . 0.9 OUTLIER -103.12 9.73 38.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.227 -0.921 . . . . 10.0 110.235 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' B' ' 46' ' ' ARG . . . -39.08 -69.21 0.13 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.248 -0.907 . . . . 10.0 110.575 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.498 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -32.81 -36.6 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.372 0.606 . . . . 10.0 110.881 -178.688 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.523 ' HB3' ' O ' ' B' ' 43' ' ' GLU . 35.4 ttt180 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 117.985 -1.007 . . . . 10.0 110.168 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.8 m80 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.238 0.542 . . . . 10.0 110.217 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 41.9 mtm -132.64 109.09 9.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.165 -0.96 . . . . 10.0 110.238 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.476 ' C ' ' CD2' ' A' ' 4' ' ' HIS . . . -90.57 160.01 27.5 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.524 -1.43 . . . . 10.0 109.524 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.491 ' CD2' ' N ' ' A' ' 4' ' ' HIS . 14.2 m-70 -131.11 108.37 9.7 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.218 -1.166 . . . . 10.0 110.259 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -111.84 128.13 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.153 -0.967 . . . . 10.0 110.109 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.69 ' O ' HD21 ' B' ' 23' B LEU . 0.0 OUTLIER -169.97 -170.29 0.98 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.287 -0.883 . . . . 10.0 110.223 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 6' ' ' GLN . 5.0 mm -148.38 103.68 3.52 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.201 -0.937 . . . . 10.0 110.172 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.482 ' HG2' HD22 ' A' ' 11' ' ' LEU . 44.1 Cg_endo -70.46 132.59 22.5 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 123.975 1.513 . . . . 10.0 110.496 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -72.51 144.8 41.09 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 O-C-N 123.949 1.5 . . . . 10.0 110.599 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.641 ' O ' HD12 ' A' ' 14' ' ' LEU . . . 88.24 -21.85 22.45 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.646 -1.381 . . . . 10.0 109.646 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.482 HD22 ' HG2' ' A' ' 8' ' ' PRO . 24.5 tp -58.66 -73.97 0.07 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.229 -1.159 . . . . 10.0 110.384 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 15' ' ' LEU . 10.4 m -48.23 -68.53 0.18 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.302 -0.874 . . . . 10.0 110.635 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.557 ' CG ' ' N ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -39.48 -47.38 1.84 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.464 -0.772 . . . . 10.0 110.612 -179.606 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 10' ' ' GLY . 50.4 mt -65.35 -30.47 71.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.133 -0.979 . . . . 10.0 110.193 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.054 HD11 HD21 ' B' ' 15' ' ' LEU . 0.1 OUTLIER -74.36 -66.66 0.7 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.247 -0.908 . . . . 10.0 110.143 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -45.34 -33.7 2.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.285 -0.884 . . . . 10.0 110.102 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.54 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -72.58 -47.35 27.79 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.619 -1.393 . . . . 10.0 109.619 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.772 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -69.09 -43.49 74.4 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.099 -1.236 . . . . 10.0 109.623 179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -59.64 -35.37 74.26 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.883 . . . . 10.0 109.72 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 16' ' ' GLN . 3.0 t -67.53 -27.65 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.314 -0.866 . . . . 10.0 109.855 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.715 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.5 mt-10 -76.18 -26.57 56.32 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.282 -0.886 . . . . 10.0 109.457 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -85.64 -40.67 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.521 -0.737 . . . . 10.0 110.076 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.637 HD21 ' O ' ' B' ' 6' ' ' GLN . 1.6 mt -61.83 -38.51 88.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -0.903 . . . . 10.0 109.977 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -82.99 -51.14 7.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.33 -0.856 . . . . 10.0 110.171 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 7.1 mm100 -73.09 -30.59 63.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.203 -0.936 . . . . 10.0 110.247 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER 40.57 64.53 4.73 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 10.0 110.001 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.58 159.76 52.31 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 O-C-N 124.04 1.548 . . . . 10.0 110.684 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.23 -21.18 36.32 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 124.09 1.574 . . . . 10.0 110.352 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -137.69 120.29 16.13 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.862 . . . . 10.0 110.038 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.609 HD22 ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -81.02 -66.28 0.91 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.19 -0.944 . . . . 10.0 110.23 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.623 HG12 ' HG2' ' B' ' 42' ' ' ARG . 10.1 t -27.98 -54.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 CA-C-O 121.77 0.795 . . . . 10.0 110.042 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.41 ' CG ' ' NH1' ' B' ' 42' ' ' ARG . 7.2 t0 -66.3 -48.08 71.52 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.756 -0.59 . . . . 10.0 109.967 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CE1' HG22 ' A' ' 22' ' ' VAL . 29.2 t80 -63.78 -44.43 93.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.187 -0.946 . . . . 10.0 109.698 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.609 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -64.28 -24.18 67.57 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 10.0 110.024 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.511 ' O ' ' HB ' ' A' ' 39' ' ' THR . 2.2 t -87.25 -48.04 15.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.23 -0.919 . . . . 10.0 109.632 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -55.83 -43.19 76.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 10.0 110.01 179.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.658 ' O ' HD12 ' A' ' 41' ' ' LEU . 33.4 t80 -66.86 -56.78 8.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.194 -0.942 . . . . 10.0 110.08 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 2.2 m-85 -61.79 -60.67 3.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.403 -0.811 . . . . 10.0 110.214 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 12.5 m -43.08 -40.99 3.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.171 -0.956 . . . . 10.0 109.942 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 2.7 mtt180 -59.02 -41.46 87.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 10.0 109.944 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.658 HD12 ' O ' ' A' ' 37' ' ' TYR . 2.6 mp -57.48 -37.12 72.39 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -0.879 . . . . 10.0 109.993 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.542 ' HG2' HG12 ' B' ' 31' ' ' VAL . 0.9 OUTLIER -67.0 -9.33 37.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.357 -0.839 . . . . 10.0 110.231 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -128.59 1.38 5.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.208 -0.933 . . . . 10.0 110.214 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.612 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -124.0 -73.4 0.64 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 10.0 110.449 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.612 ' C ' ' O ' ' A' ' 44' ' ' ALA . 11.1 tpp180 -15.8 84.23 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.199 0.523 . . . . 10.0 111.528 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' A' ' 44' ' ' ALA . 30.5 tpt85 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 117.995 -1.003 . . . . 10.0 110.089 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 41.9 m80 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.233 0.54 . . . . 10.0 110.133 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 42.2 mtm -133.38 108.76 8.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.27 -0.894 . . . . 10.0 110.102 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . 0.472 ' C ' ' CD2' ' B' ' 4' ' ' HIS . . . -89.88 159.97 28.31 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.433 -1.467 . . . . 10.0 109.433 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.488 ' CD2' ' N ' ' B' ' 4' ' ' HIS . 14.2 m-70 -131.02 107.86 9.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.277 -1.131 . . . . 10.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.52 ' O ' HG23 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -111.33 127.41 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 10.0 110.174 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.637 ' O ' HD21 ' A' ' 23' A LEU . 0.0 OUTLIER -169.36 -171.72 1.33 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.281 -0.887 . . . . 10.0 110.185 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.467 ' O ' HG22 ' B' ' 7' ' ' ILE . 4.7 mm -147.16 103.67 3.81 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 10.0 110.203 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.49 ' HG2' HD22 ' B' ' 11' ' ' LEU . 44.8 Cg_endo -70.51 132.89 23.0 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.017 1.535 . . . . 10.0 110.497 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.53 144.67 40.75 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 123.95 1.5 . . . . 10.0 110.594 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.643 ' O ' HD12 ' B' ' 14' ' ' LEU . . . 88.25 -21.73 23.16 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.629 -1.388 . . . . 10.0 109.629 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.49 HD22 ' HG2' ' B' ' 8' ' ' PRO . 28.7 tp -58.69 -73.63 0.08 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -1.157 . . . . 10.0 110.393 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.489 ' O ' ' N ' ' B' ' 15' ' ' LEU . 10.8 m -48.92 -68.33 0.19 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.248 -0.907 . . . . 10.0 110.582 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.554 ' CG ' ' N ' ' B' ' 14' ' ' LEU . 0.5 OUTLIER -39.44 -47.26 1.79 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.429 -0.794 . . . . 10.0 110.56 -179.611 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.643 HD12 ' O ' ' B' ' 10' ' ' GLY . 51.8 mt -65.74 -30.88 71.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 10.0 110.141 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 1.054 HD21 HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -73.39 -67.81 0.55 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 10.0 110.131 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.406 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.4 OUTLIER -44.43 -35.04 2.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.266 -0.896 . . . . 10.0 110.094 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -71.02 -47.81 36.2 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.619 -1.392 . . . . 10.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.773 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.0 OUTLIER -69.04 -43.2 75.18 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.086 -1.243 . . . . 10.0 109.706 179.76 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -59.91 -35.09 74.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 10.0 109.733 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 16' ' ' GLN . 3.1 t -67.73 -27.75 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.296 -0.878 . . . . 10.0 109.799 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.724 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.4 mt-10 -76.01 -26.88 57.11 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.28 -0.887 . . . . 10.0 109.47 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.773 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -85.5 -40.55 14.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.499 -0.751 . . . . 10.0 110.09 -179.607 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.69 HD21 ' O ' ' A' ' 6' ' ' GLN . 1.5 mt -61.75 -38.4 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.325 -0.859 . . . . 10.0 110.03 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -83.39 -50.88 7.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.337 -0.852 . . . . 10.0 110.174 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' B' ' 21' ' ' GLU . 7.5 mm100 -73.15 -30.44 63.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 10.0 110.193 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' B' ' 22' ' ' VAL . 0.6 OUTLIER 40.35 64.63 4.53 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.367 -0.833 . . . . 10.0 110.074 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -69.66 159.67 52.61 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 O-C-N 124.034 1.544 . . . . 10.0 110.665 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.26 -20.48 37.13 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.022 1.538 . . . . 10.0 110.336 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -138.17 120.4 15.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -0.908 . . . . 10.0 110.044 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.595 HD22 ' HB2' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -81.27 -66.4 0.89 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.216 -0.928 . . . . 10.0 110.199 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.58 ' C ' ' O ' ' B' ' 30' ' ' LEU . 9.7 t -27.91 -54.24 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 CA-C-O 121.77 0.795 . . . . 10.0 110.005 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -66.07 -47.91 72.71 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.78 -0.575 . . . . 10.0 109.968 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.618 ' CE1' HG22 ' B' ' 22' ' ' VAL . 28.6 t80 -63.97 -44.39 92.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.158 -0.964 . . . . 10.0 109.622 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.595 ' HB2' HD22 ' B' ' 30' ' ' LEU . . . -64.38 -24.3 67.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.377 -0.827 . . . . 10.0 109.983 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.509 ' O ' ' HB ' ' B' ' 39' ' ' THR . 2.2 t -86.66 -48.23 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.262 -0.899 . . . . 10.0 109.652 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -55.83 -43.2 76.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.439 -0.788 . . . . 10.0 109.928 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.675 ' O ' HD12 ' B' ' 41' ' ' LEU . 34.4 t80 -66.65 -57.4 7.27 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.893 . . . . 10.0 110.164 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 2.3 m-85 -61.28 -60.56 3.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 10.0 110.296 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 13.0 m -43.06 -41.01 3.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.144 -0.972 . . . . 10.0 109.941 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 2.4 mtt180 -59.28 -41.57 89.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.181 -0.949 . . . . 10.0 109.914 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.675 HD12 ' O ' ' B' ' 37' ' ' TYR . 2.5 mp -57.43 -36.85 71.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.292 -0.88 . . . . 10.0 109.999 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.623 ' HG2' HG12 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -67.18 -9.42 39.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.358 -0.839 . . . . 10.0 110.154 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -128.47 1.34 5.62 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.166 -0.959 . . . . 10.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -123.92 -73.44 0.64 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.282 -0.886 . . . . 10.0 110.558 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.613 ' C ' ' O ' ' B' ' 44' ' ' ALA . 10.8 tpp180 -15.81 84.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.225 0.536 . . . . 10.0 111.45 -178.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' B' ' 44' ' ' ALA . 30.2 tpt85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.952 -1.023 . . . . 10.0 110.15 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 1' ' ' HIS . 16.8 t60 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.224 0.535 . . . . 10.0 110.167 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' GLY . 3.9 mtt -110.84 54.16 0.68 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 10.0 110.233 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' MET . . . 43.29 -116.99 1.48 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.521 -1.432 . . . . 10.0 109.521 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.62 -179.79 6.66 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.286 -1.126 . . . . 10.0 110.138 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.776 HG23 ' O ' ' A' ' 5' ' ' ILE . 1.2 tp -120.17 41.56 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.186 -0.946 . . . . 10.0 110.248 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.67 -162.32 1.22 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.281 -0.887 . . . . 10.0 110.166 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.72 HD12 ' C ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -133.49 125.15 18.47 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.328 -0.857 . . . . 10.0 110.098 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.32 110.77 2.93 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 O-C-N 123.911 1.48 . . . . 10.0 110.648 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 45.9 Cg_endo -72.89 179.16 5.58 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 123.969 1.51 . . . . 10.0 110.44 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.66 -12.99 20.61 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.5 -1.44 . . . . 10.0 109.5 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.774 HD22 HD22 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -69.46 -26.56 64.64 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -1.153 . . . . 10.0 110.196 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 88.9 m -48.55 -43.94 36.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.283 -0.885 . . . . 10.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' LEU . 1.9 mm-40 -53.62 -78.44 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 10.0 110.564 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' GLU . 1.7 mp -40.12 -52.21 2.57 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.359 -0.838 . . . . 10.0 110.658 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.774 HD22 HD22 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -57.54 -59.74 4.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.194 -0.941 . . . . 10.0 110.625 -179.564 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 12' ' ' THR . 1.3 tt0 -38.98 -63.41 0.53 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.169 -0.957 . . . . 10.0 109.917 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.542 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.16 -51.59 8.77 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.736 -1.745 . . . . 10.0 108.736 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.696 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -42.04 -64.71 0.55 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.29 -1.124 . . . . 10.0 109.897 179.496 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.609 ' O ' ' HB2' ' A' ' 23' A LEU . 0.8 OUTLIER -48.69 -30.87 5.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 10.0 109.79 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 54.8 t -78.6 -26.2 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.27 -0.894 . . . . 10.0 110.163 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -89.75 -47.86 7.64 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.159 -0.963 . . . . 10.0 109.814 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 18' ' ' TYR . 2.8 t -65.5 -20.34 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.489 -0.757 . . . . 10.0 110.087 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.609 ' HB2' ' O ' ' A' ' 19' ' ' THR . 7.6 tt -85.18 -48.9 8.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.216 -0.928 . . . . 10.0 110.026 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 1.4 mtt-85 -68.82 -65.19 0.73 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 10.0 110.008 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -62.86 -30.8 71.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.231 -0.918 . . . . 10.0 110.168 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.479 ' C ' ' O ' ' A' ' 25' ' ' GLN . 1.7 mt-30 37.82 70.24 1.27 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.414 -0.804 . . . . 10.0 110.16 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.9 157.82 60.33 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 O-C-N 124.061 1.558 . . . . 10.0 110.639 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 42.5 Cg_endo -69.05 -20.89 37.57 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 124.036 1.545 . . . . 10.0 110.266 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.463 ' OD2' ' OD2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -145.11 121.12 10.71 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.351 -0.843 . . . . 10.0 109.817 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.609 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -69.81 -68.84 0.39 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.254 -0.904 . . . . 10.0 110.461 -179.581 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.609 ' C ' ' O ' ' A' ' 30' ' ' LEU . 5.5 t -22.73 -66.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.596 -0.69 . . . . 10.0 110.458 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -53.26 -49.62 66.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.504 -0.747 . . . . 10.0 109.582 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.597 ' N ' ' O ' ' A' ' 30' ' ' LEU . 89.5 t80 -54.59 -37.12 65.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 10.0 109.621 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -63.07 -49.77 73.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.366 -0.834 . . . . 10.0 109.991 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.538 HG22 ' N ' ' B' ' 39' ' ' THR . 89.8 t -62.65 -21.45 27.52 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.318 -0.864 . . . . 10.0 110.237 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 3.6 mt-10 -85.22 -49.63 8.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.307 -0.871 . . . . 10.0 110.312 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.48 ' CD1' ' OE1' ' A' ' 21' ' ' GLU . 40.3 t80 -62.75 -53.69 50.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.319 -0.863 . . . . 10.0 110.407 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.489 ' CG ' ' HB1' ' B' ' 34' ' ' ALA . 9.6 m-85 -62.7 -52.49 63.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.291 -0.881 . . . . 10.0 110.423 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.557 ' N ' HG22 ' B' ' 35' ' ' VAL . 5.0 m -48.84 -55.36 11.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.112 -0.993 . . . . 10.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -55.21 -30.06 59.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.21 -0.931 . . . . 10.0 110.136 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -64.85 -53.22 50.23 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.319 -0.863 . . . . 10.0 109.935 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -13.95 62.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.191 -0.943 . . . . 10.0 109.905 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 1.2 tp10 -105.88 -10.89 16.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.35 -0.844 . . . . 10.0 109.718 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.604 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -51.41 -70.87 0.07 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.355 -0.841 . . . . 10.0 110.586 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.604 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -22.14 133.89 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.302 0.572 . . . . 10.0 111.18 -178.668 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.034 -0.984 . . . . 10.0 110.128 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.464 ' O ' ' CG ' ' B' ' 1' ' ' HIS . 16.1 t60 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.253 0.549 . . . . 10.0 110.165 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . 0.423 ' O ' ' C ' ' B' ' 3' ' ' GLY . 3.6 mtt -110.4 54.39 0.67 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.291 -0.88 . . . . 10.0 110.245 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' B' ' 2' ' ' MET . . . 43.44 -117.09 1.57 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.49 -1.444 . . . . 10.0 109.49 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.44 -179.5 6.46 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.308 -1.113 . . . . 10.0 110.162 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.777 ' O ' HG23 ' B' ' 5' ' ' ILE . 1.2 tp -120.57 41.63 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.196 -0.94 . . . . 10.0 110.273 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.71 -162.38 1.23 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.232 -0.918 . . . . 10.0 110.184 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.72 ' C ' HD12 ' B' ' 7' ' ' ILE . 0.9 OUTLIER -133.39 125.1 18.54 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.299 -0.876 . . . . 10.0 110.086 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -71.33 110.99 2.98 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 O-C-N 123.886 1.466 . . . . 10.0 110.6 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' B' ' 7' ' ' ILE . 45.3 Cg_endo -72.95 179.38 5.4 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 O-C-N 123.995 1.524 . . . . 10.0 110.389 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.04 -12.25 22.23 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.469 -1.452 . . . . 10.0 109.469 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.776 HD22 HD22 ' B' ' 15' ' ' LEU . 0.4 OUTLIER -69.69 -27.58 65.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.196 -1.179 . . . . 10.0 110.207 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 99.9 m -47.62 -44.81 27.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -0.904 . . . . 10.0 110.255 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' B' ' 14' ' ' LEU . 1.8 mm-40 -52.48 -78.38 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.467 -0.771 . . . . 10.0 110.579 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' B' ' 13' ' ' GLU . 1.8 mp -40.38 -52.61 2.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.341 -0.849 . . . . 10.0 110.786 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.776 HD22 HD22 ' B' ' 11' ' ' LEU . 0.9 OUTLIER -57.33 -59.66 4.79 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.216 -0.928 . . . . 10.0 110.691 -179.594 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.549 ' HB2' ' O ' ' B' ' 12' ' ' THR . 1.4 tt0 -38.93 -63.53 0.52 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.118 -0.989 . . . . 10.0 109.87 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.0 -51.51 8.44 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.787 -1.725 . . . . 10.0 108.787 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.696 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.5 OUTLIER -42.19 -64.5 0.58 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.331 -1.1 . . . . 10.0 110.003 179.54 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.609 ' O ' ' HB2' ' B' ' 23' B LEU . 0.8 OUTLIER -48.74 -30.97 6.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 10.0 109.812 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.566 ' O ' ' HG3' ' B' ' 24' ' ' ARG . 56.1 t -78.51 -26.03 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.239 -0.913 . . . . 10.0 110.193 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.9 OUTLIER -89.97 -48.0 7.49 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.16 -0.963 . . . . 10.0 109.79 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 18' ' ' TYR . 2.8 t -65.34 -20.24 27.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.587 -0.696 . . . . 10.0 110.113 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.625 HD11 ' CG2' ' A' ' 7' ' ' ILE . 7.6 tt -85.25 -48.91 8.63 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.371 -0.83 . . . . 10.0 109.947 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' B' ' 20' ' ' VAL . 1.4 mtt-85 -69.04 -65.3 0.72 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 10.0 110.089 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.482 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -62.36 -30.92 71.53 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.261 -0.899 . . . . 10.0 110.079 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' B' ' 25' ' ' GLN . 1.7 mt-30 37.73 70.08 1.29 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.417 -0.802 . . . . 10.0 110.058 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.89 158.1 59.21 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.059 1.557 . . . . 10.0 110.633 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.456 ' HG2' ' OD1' ' B' ' 29' ' ' ASP . 42.8 Cg_endo -69.08 -21.32 36.82 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 O-C-N 124.12 1.59 . . . . 10.0 110.221 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.464 ' OD2' ' OD2' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -144.62 121.65 11.4 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.446 -0.784 . . . . 10.0 109.775 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.605 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.1 OUTLIER -70.1 -68.6 0.41 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 10.0 110.509 -179.71 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.605 ' C ' ' O ' ' B' ' 30' ' ' LEU . 5.5 t -22.99 -66.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.602 -0.686 . . . . 10.0 110.546 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.479 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -53.09 -49.52 66.27 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.547 -0.721 . . . . 10.0 109.53 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.591 ' N ' ' O ' ' B' ' 30' ' ' LEU . 89.6 t80 -54.72 -37.17 65.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 10.0 109.672 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.696 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -63.03 -49.35 74.93 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.332 -0.855 . . . . 10.0 110.069 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.557 HG22 ' N ' ' A' ' 39' ' ' THR . 88.4 t -62.88 -21.52 28.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 O-C-N 121.391 -0.818 . . . . 10.0 110.223 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 3.6 mt-10 -85.3 -49.72 7.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.332 -0.855 . . . . 10.0 110.223 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.464 ' CD1' ' OE1' ' B' ' 21' ' ' GLU . 41.0 t80 -62.66 -53.67 51.02 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.217 -0.927 . . . . 10.0 110.331 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' B' ' 41' ' ' LEU . 10.2 m-85 -62.75 -52.96 61.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.261 -0.899 . . . . 10.0 110.462 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.538 ' N ' HG22 ' A' ' 35' ' ' VAL . 5.0 m -48.18 -55.29 10.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.066 -1.021 . . . . 10.0 109.998 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -55.42 -30.59 60.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.241 -0.912 . . . . 10.0 110.13 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 0.8 OUTLIER -64.22 -52.83 56.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.139 -0.975 . . . . 10.0 109.933 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -14.06 62.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.182 -0.949 . . . . 10.0 109.9 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.438 ' O ' ' OE2' ' B' ' 43' ' ' GLU . 1.2 tp10 -105.71 -10.99 16.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.419 -0.801 . . . . 10.0 109.713 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.604 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -51.4 -70.87 0.07 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.278 -0.889 . . . . 10.0 110.626 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.604 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -22.24 134.17 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.292 0.568 . . . . 10.0 111.15 -178.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 118.047 -0.978 . . . . 10.0 110.241 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 38.7 m80 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.215 0.531 . . . . 10.0 110.177 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.5 tpt -119.53 -48.92 2.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.269 -0.894 . . . . 10.0 110.042 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.05 -128.8 1.99 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.49 -1.444 . . . . 10.0 109.49 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -111.45 178.02 4.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.207 -1.172 . . . . 10.0 110.067 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 6' ' ' GLN . 0.8 OUTLIER -138.58 -166.71 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.921 . . . . 10.0 110.163 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.636 ' N ' HG23 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -164.38 152.73 12.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.203 -0.936 . . . . 10.0 110.161 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.438 ' HA ' HD13 ' A' ' 7' ' ' ILE . 5.1 mm -148.11 115.12 3.97 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.932 . . . . 10.0 110.18 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -71.21 145.74 49.64 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 124.012 1.533 . . . . 10.0 110.693 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.0 157.23 47.14 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 O-C-N 124.001 1.527 . . . . 10.0 110.448 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.07 -29.6 6.39 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.546 -1.422 . . . . 10.0 109.546 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.3 tp -57.58 -53.93 52.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -1.164 . . . . 10.0 110.217 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -51.22 -32.95 25.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.229 -0.92 . . . . 10.0 110.114 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -62.2 -55.36 29.31 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.343 -0.848 . . . . 10.0 110.089 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.583 HD13 HD23 ' B' ' 30' ' ' LEU . 8.2 mt -54.43 -58.23 8.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.268 -0.895 . . . . 10.0 110.132 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' GLN . 22.1 mt -51.68 -50.43 60.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 10.0 110.278 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -42.2 -58.08 2.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.166 -0.959 . . . . 10.0 109.916 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -44.6 -49.62 8.6 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.953 -1.659 . . . . 10.0 108.953 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.774 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -41.07 -63.28 0.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -1.076 . . . . 10.0 110.096 179.602 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.45 ' O ' HD12 ' A' ' 23' A LEU . 0.5 OUTLIER -48.83 -35.33 14.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.363 -0.836 . . . . 10.0 109.703 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.541 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 20.8 t -73.29 -25.47 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.386 -0.821 . . . . 10.0 110.038 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.575 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -90.96 -56.71 3.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.291 -0.881 . . . . 10.0 109.775 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 18' ' ' TYR . 3.4 t -49.45 -27.87 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 C-N-CA 120.158 -0.617 . . . . 10.0 109.977 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.45 HD12 ' O ' ' A' ' 19' ' ' THR . 87.2 mt -88.3 -36.0 16.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.355 -0.841 . . . . 10.0 110.0 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -77.42 -48.31 17.56 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.27 -0.894 . . . . 10.0 110.131 179.722 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.504 ' O ' ' C ' ' A' ' 26' ' ' GLN . 9.7 mm100 -88.26 -22.58 23.85 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.255 -0.903 . . . . 10.0 110.47 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.504 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.2 mm100 36.47 72.67 0.76 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 10.0 109.835 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.611 ' HG3' ' CG ' ' A' ' 33' ' ' PHE . 43.3 Cg_endo -68.92 160.66 48.9 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 O-C-N 124.106 1.582 . . . . 10.0 110.992 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.57 -14.53 36.84 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 124.223 1.643 . . . . 10.0 110.438 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -160.62 119.65 2.64 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.319 -0.863 . . . . 10.0 110.182 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.565 HD23 HD13 ' B' ' 14' ' ' LEU . 11.5 tp -58.23 -61.32 2.65 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.251 -0.905 . . . . 10.0 110.366 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 30' ' ' LEU . 23.1 t -33.63 -69.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.371 -0.831 . . . . 10.0 110.11 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -53.34 -42.42 66.76 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.495 -0.753 . . . . 10.0 110.063 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.675 ' CE2' HG22 ' A' ' 22' ' ' VAL . 26.5 t80 -60.46 -40.28 90.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.234 -0.917 . . . . 10.0 109.852 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.774 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -57.76 -37.78 74.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.352 -0.842 . . . . 10.0 110.216 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' B' ' 38' ' ' PHE . 20.2 t -70.57 -48.48 58.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.315 -0.866 . . . . 10.0 110.31 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.1 mm-40 -54.1 -56.44 18.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.405 -0.809 . . . . 10.0 110.765 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.32 -58.68 7.19 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.986 . . . . 10.0 110.666 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.7 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 14.6 m-85 -60.04 -53.68 55.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.239 -0.913 . . . . 10.0 110.653 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.506 ' HA ' HG21 ' B' ' 35' ' ' VAL . 23.6 m -52.33 -37.31 55.58 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.063 -1.023 . . . . 10.0 110.329 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 5.9 mtp180 -79.47 -40.63 29.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.147 -0.971 . . . . 10.0 110.1 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -47.91 -29.27 3.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.198 -0.939 . . . . 10.0 110.126 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -45.16 80.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 10.0 109.957 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' OE1' ' HA ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER -60.94 -28.73 69.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 10.0 110.224 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.545 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -56.14 -70.48 0.11 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.265 -0.897 . . . . 10.0 110.571 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.545 ' C ' ' O ' ' A' ' 44' ' ' ALA . 1.3 mmt180 -28.02 -92.09 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.189 0.518 . . . . 10.0 110.94 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.457 ' NH2' ' HG3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.936 -1.031 . . . . 10.0 110.011 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 38.6 m80 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.258 0.551 . . . . 10.0 110.238 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 1.5 tpt -120.75 -49.12 2.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.277 -0.89 . . . . 10.0 110.048 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.09 -128.53 1.94 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.366 -1.494 . . . . 10.0 109.366 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -111.84 177.58 4.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.242 -1.152 . . . . 10.0 110.145 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.626 HG23 ' N ' ' B' ' 6' ' ' GLN . 0.8 OUTLIER -138.17 -167.0 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 10.0 110.242 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.626 ' N ' HG23 ' B' ' 5' ' ' ILE . 0.6 OUTLIER -164.48 153.02 12.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.929 . . . . 10.0 110.181 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' B' ' 7' ' ' ILE . 4.9 mm -148.44 115.38 3.89 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.257 -0.902 . . . . 10.0 110.165 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.16 146.06 50.7 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 O-C-N 124.01 1.531 . . . . 10.0 110.759 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -74.18 156.93 46.63 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 123.967 1.509 . . . . 10.0 110.404 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.12 -29.21 6.66 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.582 -1.407 . . . . 10.0 109.582 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.0 tp -57.65 -53.78 54.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.223 -1.163 . . . . 10.0 110.226 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 0.4 OUTLIER -51.61 -32.91 30.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.272 -0.893 . . . . 10.0 110.148 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.81 -55.23 32.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.875 . . . . 10.0 110.137 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.565 HD13 HD23 ' A' ' 30' ' ' LEU . 7.9 mt -54.52 -58.54 7.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.282 -0.886 . . . . 10.0 110.135 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' B' ' 16' ' ' GLN . 21.3 mt -51.36 -50.61 59.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.257 -0.902 . . . . 10.0 110.201 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.9 OUTLIER -42.14 -58.06 2.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 10.0 109.828 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.526 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -44.55 -49.89 8.45 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.899 -1.68 . . . . 10.0 108.899 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.766 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.6 OUTLIER -41.08 -63.34 0.69 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.411 -1.052 . . . . 10.0 110.153 179.673 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.443 ' O ' HD12 ' B' ' 23' B LEU . 0.5 OUTLIER -48.6 -35.48 13.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 10.0 109.661 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.542 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 20.8 t -73.1 -25.77 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.433 -0.792 . . . . 10.0 110.122 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.575 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.6 OUTLIER -90.59 -56.92 3.01 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.27 -0.894 . . . . 10.0 109.807 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 18' ' ' TYR . 3.4 t -49.23 -27.94 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.607 -0.683 . . . . 10.0 109.993 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.443 HD12 ' O ' ' B' ' 19' ' ' THR . 86.1 mt -88.31 -35.96 16.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.293 -0.879 . . . . 10.0 110.004 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.542 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -77.61 -48.31 17.19 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.3 -0.875 . . . . 10.0 110.07 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.507 ' O ' ' C ' ' B' ' 26' ' ' GLN . 9.7 mm100 -88.11 -22.67 23.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 10.0 110.394 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' B' ' 25' ' ' GLN . 5.0 mm100 36.6 72.89 0.74 Allowed Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.332 -0.855 . . . . 10.0 109.915 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.615 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 42.9 Cg_endo -69.07 160.37 50.17 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 O-C-N 124.013 1.533 . . . . 10.0 110.909 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.42 -14.45 37.19 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 O-C-N 124.085 1.571 . . . . 10.0 110.414 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -160.84 119.54 2.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.442 -0.786 . . . . 10.0 110.067 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.583 HD23 HD13 ' A' ' 14' ' ' LEU . 11.9 tp -58.29 -61.16 2.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.283 -0.885 . . . . 10.0 110.294 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.527 ' C ' ' O ' ' B' ' 30' ' ' LEU . 23.3 t -33.53 -69.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.45 -0.781 . . . . 10.0 110.164 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -53.73 -42.62 68.31 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.583 -0.698 . . . . 10.0 110.072 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.67 ' CE2' HG22 ' B' ' 22' ' ' VAL . 26.4 t80 -60.12 -40.78 90.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 10.0 109.778 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.766 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -57.07 -37.8 72.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.366 -0.834 . . . . 10.0 110.128 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.686 HG23 ' HB3' ' A' ' 38' ' ' PHE . 23.8 t -70.58 -48.97 55.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.278 -0.889 . . . . 10.0 110.366 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 1.2 mm-40 -53.58 -56.69 14.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.373 -0.83 . . . . 10.0 110.679 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.85 -58.81 6.51 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.206 -0.934 . . . . 10.0 110.654 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.708 ' HB3' HG23 ' A' ' 35' ' ' VAL . 15.3 m-85 -60.4 -53.2 60.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 10.0 110.697 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.501 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 24.3 m -52.8 -36.65 58.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.03 -1.044 . . . . 10.0 110.303 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 5.8 mtp180 -80.2 -40.66 26.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.186 -0.946 . . . . 10.0 110.097 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' B' ' 41' ' ' LEU . 0.2 OUTLIER -47.23 -31.75 3.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.192 -0.942 . . . . 10.0 110.133 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -45.37 89.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.228 -0.92 . . . . 10.0 110.069 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.427 ' OE1' ' HA ' ' B' ' 43' ' ' GLU . 0.5 OUTLIER -60.89 -28.3 68.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.234 -0.916 . . . . 10.0 110.206 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.531 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -57.3 -67.04 0.36 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.255 -0.903 . . . . 10.0 110.526 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.531 ' C ' ' O ' ' B' ' 44' ' ' ALA . 1.2 mmt180 -30.54 -91.74 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 121.223 0.535 . . . . 10.0 110.911 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.455 ' HG3' ' NH2' ' B' ' 46' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 117.937 -1.03 . . . . 10.0 109.982 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.487 ' O ' ' CB ' ' A' ' 2' ' ' MET . 14.1 m-70 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.225 0.536 . . . . 10.0 110.093 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.487 ' CB ' ' O ' ' A' ' 1' ' ' HIS . 0.0 OUTLIER 68.97 -56.11 0.54 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.165 -0.959 . . . . 10.0 110.235 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 1' ' ' HIS . . . -69.14 148.18 47.22 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.594 -1.402 . . . . 10.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -143.62 -89.97 0.12 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.283 -1.128 . . . . 10.0 110.031 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.528 ' O ' ' CG2' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -133.88 125.66 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 10.0 110.12 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.17 102.49 4.84 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.241 -0.912 . . . . 10.0 110.232 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.752 HD12 ' C ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -114.61 132.4 22.9 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.304 -0.873 . . . . 10.0 110.127 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.553 ' HG2' ' HB2' ' A' ' 11' ' ' LEU . 42.5 Cg_endo -69.79 139.74 40.84 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 O-C-N 123.997 1.525 . . . . 10.0 110.7 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.56 139.79 31.83 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 O-C-N 124.083 1.57 . . . . 10.0 110.868 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.55 ' O ' ' HB2' ' A' ' 14' ' ' LEU . . . 85.06 -20.11 18.08 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.724 -1.35 . . . . 10.0 109.724 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 11' ' ' LEU . 2.9 tm? -52.59 -61.48 2.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -1.162 . . . . 10.0 110.563 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 13' ' ' GLU . 42.7 m -55.19 -73.47 0.05 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.237 -0.914 . . . . 10.0 110.506 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' N ' ' A' ' 14' ' ' LEU . 1.3 tt0 -38.88 -46.84 1.35 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.441 -0.787 . . . . 10.0 110.509 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 10' ' ' GLY . 6.3 tp -58.1 -66.59 0.46 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.086 -1.009 . . . . 10.0 110.434 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 16' ' ' GLN . 3.7 mp -45.5 -54.6 7.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.143 -0.973 . . . . 10.0 110.172 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.603 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -40.4 -55.85 2.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.247 -0.908 . . . . 10.0 109.815 179.673 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.558 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.46 -57.09 5.98 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 108.979 -1.648 . . . . 10.0 108.979 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.718 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -37.71 -63.97 0.42 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.407 -1.054 . . . . 10.0 110.285 179.776 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.805 ' O ' HD12 ' A' ' 23' A LEU . 0.6 OUTLIER -52.29 -33.11 40.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -0.932 . . . . 10.0 109.376 179.733 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.608 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 46.4 t -75.74 -23.38 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.509 -0.745 . . . . 10.0 110.29 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.558 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -94.03 -61.25 1.57 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.037 -1.039 . . . . 10.0 109.655 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 18' ' ' TYR . 8.5 t -47.6 -33.15 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.564 -0.71 . . . . 10.0 110.348 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.805 HD12 ' O ' ' A' ' 19' ' ' THR . 41.4 mt -86.38 -40.05 15.79 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.222 -0.924 . . . . 10.0 110.344 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -85.64 13.81 6.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.107 -0.996 . . . . 10.0 110.457 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' A' ' 26' ' ' GLN . 4.9 pt20 -165.1 20.68 0.05 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.105 -0.997 . . . . 10.0 110.611 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -3.35 91.08 0.03 OUTLIER Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.555 -0.716 . . . . 10.0 111.107 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 42.5 Cg_endo -68.78 170.19 15.93 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 124.069 1.562 . . . . 10.0 110.84 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.02 -33.57 19.08 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 O-C-N 124.146 1.603 . . . . 10.0 110.584 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.693 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -142.15 150.38 41.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.365 -0.834 . . . . 10.0 109.844 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 30' ' ' LEU . 1.6 tm? -90.62 -70.41 0.68 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.152 -0.967 . . . . 10.0 110.273 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.529 ' C ' ' O ' ' A' ' 30' ' ' LEU . 16.6 t -34.95 -65.39 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.387 -0.821 . . . . 10.0 109.915 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.69 -38.23 64.02 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.61 -0.681 . . . . 10.0 109.97 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 82.7 t80 -64.01 -38.68 91.94 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.147 -0.971 . . . . 10.0 109.814 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.718 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -65.57 -23.87 66.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 10.0 109.826 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.578 HG21 ' CA ' ' B' ' 39' ' ' THR . 3.0 t -89.68 -50.64 12.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.364 -0.835 . . . . 10.0 110.184 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -57.43 -35.13 69.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 10.0 109.851 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 22.7 t80 -73.83 -58.56 3.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 10.0 110.259 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 21.7 m-85 -65.27 -41.82 93.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.137 -0.977 . . . . 10.0 110.305 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.633 ' CA ' HG21 ' B' ' 35' ' ' VAL . 51.6 m -52.3 -41.85 63.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.067 -1.021 . . . . 10.0 110.061 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 14.2 mtm180 -71.74 -39.48 70.03 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.204 -0.935 . . . . 10.0 109.872 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.39 -43.71 44.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.317 -0.864 . . . . 10.0 110.092 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.518 ' HG2' HG12 ' B' ' 31' ' ' VAL . 16.3 mmm-85 -51.62 -28.85 15.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.2 -0.938 . . . . 10.0 110.153 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 0.6 OUTLIER -75.13 -16.39 60.54 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.284 -0.885 . . . . 10.0 110.599 -179.744 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.614 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -62.15 -69.87 0.23 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.094 -1.004 . . . . 10.0 110.51 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.614 ' C ' ' O ' ' A' ' 44' ' ' ALA . 12.9 mmt180 -20.83 -89.24 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.295 0.569 . . . . 10.0 111.114 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.7 tpt85 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.921 -1.038 . . . . 10.0 110.145 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.484 ' O ' ' CB ' ' B' ' 2' ' ' MET . 14.3 m-70 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.221 0.534 . . . . 10.0 110.142 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . 0.484 ' CB ' ' O ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER 68.82 -56.23 0.53 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.21 -0.931 . . . . 10.0 110.244 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' B' ' 1' ' ' HIS . . . -68.56 147.66 47.29 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.586 -1.406 . . . . 10.0 109.586 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -143.36 -89.78 0.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -1.193 . . . . 10.0 110.14 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.525 ' O ' ' CG2' ' B' ' 5' ' ' ILE . 0.4 OUTLIER -134.02 125.79 49.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.281 -0.887 . . . . 10.0 109.985 179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.93 101.89 4.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.206 -0.934 . . . . 10.0 110.234 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.746 ' C ' HD12 ' B' ' 7' ' ' ILE . 1.0 OUTLIER -114.23 132.22 22.86 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 10.0 110.07 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.555 ' HG2' ' HB2' ' B' ' 11' ' ' LEU . 42.7 Cg_endo -69.94 139.6 39.98 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 O-C-N 123.971 1.511 . . . . 10.0 110.659 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.68 139.89 31.63 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 O-C-N 124.099 1.579 . . . . 10.0 110.792 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.555 ' O ' ' HB2' ' B' ' 14' ' ' LEU . . . 85.12 -19.98 19.06 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.769 -1.333 . . . . 10.0 109.769 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.62 HD13 ' C ' ' B' ' 11' ' ' LEU . 2.9 tm? -52.95 -62.69 1.49 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.255 -1.144 . . . . 10.0 110.599 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.436 ' O ' ' C ' ' B' ' 13' ' ' GLU . 50.3 m -53.71 -73.53 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.265 -0.897 . . . . 10.0 110.498 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' B' ' 14' ' ' LEU . 1.3 tt0 -38.95 -46.83 1.37 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.502 -0.749 . . . . 10.0 110.625 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.555 ' HB2' ' O ' ' B' ' 10' ' ' GLY . 6.5 tp -58.28 -66.06 0.55 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.107 -0.996 . . . . 10.0 110.407 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' B' ' 16' ' ' GLN . 3.9 mp -45.89 -54.32 8.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.164 -0.96 . . . . 10.0 110.164 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.619 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.0 OUTLIER -40.55 -55.59 2.28 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 10.0 109.811 179.73 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.557 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.55 -57.42 5.86 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 108.869 -1.693 . . . . 10.0 108.869 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.779 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.7 OUTLIER -37.19 -64.13 0.39 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.469 -1.018 . . . . 10.0 110.364 179.736 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.816 ' O ' HD12 ' B' ' 23' B LEU . 0.6 OUTLIER -52.45 -33.45 44.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.168 -0.957 . . . . 10.0 109.385 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.619 HG23 ' O ' ' B' ' 16' ' ' GLN . 45.0 t -75.26 -23.59 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.48 -0.762 . . . . 10.0 110.289 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.557 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.2 OUTLIER -94.02 -62.23 1.38 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.073 -1.017 . . . . 10.0 109.673 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.468 ' H ' HG23 ' B' ' 22' ' ' VAL . 10.0 t -46.72 -33.12 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.596 -0.69 . . . . 10.0 110.352 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.816 HD12 ' O ' ' B' ' 19' ' ' THR . 41.8 mt -86.41 -40.07 15.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.12 -0.988 . . . . 10.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -85.51 13.94 6.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.207 -0.933 . . . . 10.0 110.477 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' B' ' 26' ' ' GLN . 5.1 pt20 -165.29 20.84 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.125 -0.985 . . . . 10.0 110.589 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER -3.71 91.19 0.03 OUTLIER Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 121.597 -0.689 . . . . 10.0 111.092 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' B' ' 22' ' ' VAL . 43.3 Cg_endo -68.88 170.23 15.98 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 124.054 1.555 . . . . 10.0 110.792 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.26 -32.64 20.21 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 O-C-N 124.065 1.56 . . . . 10.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.696 ' O ' ' HB2' ' B' ' 33' ' ' PHE . 0.5 OUTLIER -142.87 150.2 39.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 10.0 109.867 179.804 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.638 HD13 ' C ' ' B' ' 30' ' ' LEU . 1.7 tm? -90.66 -70.11 0.69 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.054 -1.029 . . . . 10.0 110.301 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.525 ' C ' ' O ' ' B' ' 30' ' ' LEU . 15.5 t -35.1 -65.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.401 -0.812 . . . . 10.0 109.981 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -54.15 -38.28 65.33 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.596 -0.69 . . . . 10.0 109.997 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.696 ' HB2' ' O ' ' B' ' 29' ' ' ASP . 82.6 t80 -63.96 -39.0 93.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.278 -0.889 . . . . 10.0 109.749 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.779 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -64.79 -23.99 67.41 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.362 -0.836 . . . . 10.0 109.792 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.633 HG21 ' CA ' ' A' ' 39' ' ' THR . 3.3 t -90.1 -51.3 12.17 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.348 -0.845 . . . . 10.0 110.324 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -56.63 -34.54 67.37 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.258 -0.901 . . . . 10.0 109.826 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.481 ' CZ ' ' OE2' ' B' ' 21' ' ' GLU . 22.4 t80 -74.51 -59.06 2.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.199 -0.938 . . . . 10.0 110.209 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 21.6 m-85 -64.89 -42.08 95.07 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.174 -0.954 . . . . 10.0 110.368 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.578 ' CA ' HG21 ' A' ' 35' ' ' VAL . 55.0 m -52.39 -41.92 63.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.165 -0.959 . . . . 10.0 110.058 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' B' ' 36' ' ' GLU . 13.3 mtm180 -71.45 -39.47 70.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.23 -0.918 . . . . 10.0 109.786 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.55 -42.82 45.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.291 -0.881 . . . . 10.0 110.11 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.421 ' HG2' HG12 ' A' ' 31' ' ' VAL . 14.9 mmm-85 -52.4 -28.6 20.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.2 -0.937 . . . . 10.0 110.203 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.42 -15.75 60.41 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.35 -0.844 . . . . 10.0 110.547 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.609 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -62.66 -69.96 0.23 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.194 -0.941 . . . . 10.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.609 ' C ' ' O ' ' B' ' 44' ' ' ALA . 12.3 mmt180 -20.62 -89.11 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 121.29 0.566 . . . . 10.0 111.143 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 34.9 tpt85 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.992 -1.004 . . . . 10.0 110.155 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.6 m80 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.266 0.555 . . . . 10.0 110.133 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.1 ttt 48.18 60.9 3.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.306 -0.871 . . . . 10.0 110.111 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.64 -43.04 0.1 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.475 -1.45 . . . . 10.0 109.475 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.21 167.85 28.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.292 -1.123 . . . . 10.0 110.056 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.9 mm -130.77 117.25 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.226 -0.921 . . . . 10.0 110.269 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.69 43.44 1.0 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.222 -0.924 . . . . 10.0 110.082 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 41.2 mm -114.52 112.15 46.06 Favored Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.291 -0.88 . . . . 10.0 110.223 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 45.4 Cg_endo -71.03 130.7 18.19 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 O-C-N 123.97 1.51 . . . . 10.0 110.547 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -72.89 -171.21 0.73 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 123.921 1.485 . . . . 10.0 110.459 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.99 -37.36 3.44 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.492 -1.443 . . . . 10.0 109.492 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.447 HD13 HD11 ' B' ' 30' ' ' LEU . 22.4 tp -75.88 -9.71 58.83 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.267 -1.137 . . . . 10.0 110.267 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.478 ' CG2' ' OE1' ' A' ' 16' ' ' GLN . 3.4 m -61.25 -64.01 1.09 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.27 -0.894 . . . . 10.0 110.392 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.7 tp10 -39.09 -55.79 1.55 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.508 -0.745 . . . . 10.0 110.387 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.7 -68.51 0.19 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.207 -0.933 . . . . 10.0 110.294 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.497 ' HG ' ' HG ' ' B' ' 15' ' ' LEU . 7.6 mp -59.15 -55.54 33.61 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.904 . . . . 10.0 110.417 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.478 ' OE1' ' CG2' ' A' ' 12' ' ' THR . 1.9 tt0 -40.77 -55.48 2.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.316 -0.865 . . . . 10.0 109.905 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -45.62 -53.69 8.23 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.071 -1.612 . . . . 10.0 109.071 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.698 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -39.84 -62.29 0.73 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.418 -1.048 . . . . 10.0 110.312 179.741 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -49.64 -32.21 12.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.931 . . . . 10.0 109.748 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.543 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 41.4 t -76.91 -22.65 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.424 -0.797 . . . . 10.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.541 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -95.12 -54.79 3.3 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.069 -1.019 . . . . 10.0 109.699 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 18' ' ' TYR . 4.5 t -53.93 -29.54 18.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.598 -0.689 . . . . 10.0 110.115 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 19' ' ' THR . 43.5 mt -90.05 -37.51 14.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.249 -0.907 . . . . 10.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 0.4 OUTLIER -83.86 38.17 0.63 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.193 -0.942 . . . . 10.0 110.167 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.562 ' HG3' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER 177.29 -28.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.879 . . . . 10.0 109.813 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.562 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 40.21 86.85 0.12 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.347 -0.845 . . . . 10.0 110.586 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -71.58 165.26 33.06 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 O-C-N 123.833 1.438 . . . . 10.0 110.354 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.93 -22.78 35.51 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 123.929 1.489 . . . . 10.0 110.043 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.492 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 45.3 m-20 -151.11 118.26 5.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.467 -0.771 . . . . 10.0 109.652 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.53 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -65.32 -62.06 1.75 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.161 -0.962 . . . . 10.0 110.498 -179.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.3 t -33.32 -67.16 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.527 -0.733 . . . . 10.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.577 ' HB2' ' CZ ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -53.33 -36.7 61.59 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.527 -0.733 . . . . 10.0 109.947 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.517 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 92.9 t80 -66.88 -35.93 81.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.23 -0.919 . . . . 10.0 109.705 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.698 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -63.84 -33.67 76.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.434 -0.791 . . . . 10.0 110.032 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.588 ' O ' ' HB ' ' A' ' 39' ' ' THR . 12.0 t -76.65 -42.64 34.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 O-C-N 121.337 -0.852 . . . . 10.0 109.748 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 7.8 mt-10 -64.58 -37.9 89.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 10.0 110.549 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -65.38 -60.98 2.39 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.037 -1.039 . . . . 10.0 110.765 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.527 ' HB3' HG23 ' B' ' 35' ' ' VAL . 38.1 m-85 -65.25 -58.43 5.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.249 -0.907 . . . . 10.0 110.9 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 11.5 m -40.83 -41.31 1.55 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.066 -1.021 . . . . 10.0 110.173 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.588 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -70.09 -43.22 71.55 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.082 -1.011 . . . . 10.0 109.87 179.705 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 9.7 mt -44.62 -38.46 4.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.287 -0.883 . . . . 10.0 109.745 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.57 ' HD2' HG12 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -59.7 -32.47 70.54 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.276 -0.89 . . . . 10.0 109.7 179.575 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' O ' ' C ' ' A' ' 44' ' ' ALA . 12.1 mt-10 -97.66 8.88 43.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.404 -0.81 . . . . 10.0 110.163 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.661 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -36.85 -73.32 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.363 -0.835 . . . . 10.0 110.23 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.661 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER 4.57 103.91 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.262 0.553 . . . . 10.0 111.298 -179.348 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 46' ' ' ARG . 2.2 tpp180 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 117.911 -1.042 . . . . 10.0 110.068 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 16.1 m80 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.259 0.552 . . . . 10.0 110.136 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 2.1 ttt 47.5 60.24 3.61 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.177 -0.952 . . . . 10.0 110.222 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.53 -42.97 0.1 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.558 -1.417 . . . . 10.0 109.558 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.75 166.98 30.7 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.315 -1.109 . . . . 10.0 110.066 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 10.3 mm -129.69 117.61 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.252 -0.905 . . . . 10.0 110.318 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -149.09 43.58 0.96 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 10.0 109.999 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' B' ' 8' ' ' PRO . 40.8 mm -114.63 112.24 45.69 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.312 -0.867 . . . . 10.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' B' ' 7' ' ' ILE . 45.1 Cg_endo -70.94 130.66 18.22 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 124.043 1.549 . . . . 10.0 110.667 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.84 -172.0 0.88 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 O-C-N 123.925 1.487 . . . . 10.0 110.485 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.72 -37.41 3.43 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.495 -1.442 . . . . 10.0 109.495 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.526 HD13 HD11 ' A' ' 30' ' ' LEU . 21.6 tp -75.79 -9.61 58.74 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.261 -1.141 . . . . 10.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.491 ' CG2' ' OE1' ' B' ' 16' ' ' GLN . 3.3 m -61.23 -64.18 1.04 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.339 -0.85 . . . . 10.0 110.376 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.8 tp10 -38.88 -55.99 1.44 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.642 -0.661 . . . . 10.0 110.426 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.57 -68.67 0.18 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 10.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.497 ' HG ' ' HG ' ' A' ' 15' ' ' LEU . 7.9 mp -59.11 -55.29 36.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 10.0 110.453 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.491 ' OE1' ' CG2' ' B' ' 12' ' ' THR . 1.9 tt0 -40.9 -55.45 2.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.171 -0.956 . . . . 10.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' B' ' 20' ' ' VAL . . . -45.85 -53.78 8.5 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.082 -1.607 . . . . 10.0 109.082 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.692 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.9 OUTLIER -39.57 -62.24 0.71 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.442 -1.034 . . . . 10.0 110.311 179.704 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -49.69 -32.12 12.66 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.284 -0.885 . . . . 10.0 109.835 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.543 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 40.7 t -77.07 -22.7 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.868 . . . . 10.0 110.241 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.542 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.2 OUTLIER -94.95 -54.67 3.37 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.981 -1.074 . . . . 10.0 109.754 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 18' ' ' TYR . 4.5 t -54.07 -29.62 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.664 -0.647 . . . . 10.0 110.091 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.463 ' HB2' ' O ' ' B' ' 19' ' ' THR . 43.4 mt -89.98 -37.22 14.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.165 -0.959 . . . . 10.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.543 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.4 OUTLIER -83.91 37.43 0.6 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.098 -1.001 . . . . 10.0 110.256 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.57 ' HG3' ' N ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER 178.02 -28.68 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.324 -0.86 . . . . 10.0 109.856 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.57 ' N ' ' HG3' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 40.37 86.51 0.13 Allowed Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.341 -0.849 . . . . 10.0 110.665 179.614 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.38 165.32 32.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 O-C-N 123.948 1.499 . . . . 10.0 110.276 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.23 -22.99 33.71 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 O-C-N 123.899 1.473 . . . . 10.0 110.039 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.48 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 45.0 m-20 -150.91 117.97 5.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.387 -0.821 . . . . 10.0 109.737 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.536 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.2 OUTLIER -65.08 -62.44 1.55 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 10.0 110.354 -179.524 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.57 HG12 ' HD2' ' A' ' 42' ' ' ARG . 18.0 t -33.02 -67.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.452 -0.78 . . . . 10.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -52.82 -36.87 59.24 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.527 -0.733 . . . . 10.0 109.894 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' B' ' 30' ' ' LEU . 92.5 t80 -66.87 -35.99 81.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.323 -0.86 . . . . 10.0 109.701 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.692 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -63.52 -33.83 76.45 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.379 -0.826 . . . . 10.0 109.945 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.582 ' O ' ' HB ' ' B' ' 39' ' ' THR . 13.3 t -77.01 -42.68 32.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.34 -0.85 . . . . 10.0 109.616 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 7.2 mt-10 -64.19 -38.28 90.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 10.0 110.478 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -65.01 -60.88 2.55 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.021 -1.049 . . . . 10.0 110.829 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.556 ' HB3' HG23 ' A' ' 35' ' ' VAL . 39.2 m-85 -65.35 -58.52 5.7 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.154 -0.966 . . . . 10.0 110.821 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.582 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 8.5 m -40.79 -41.45 1.57 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.968 -1.083 . . . . 10.0 110.087 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -70.04 -43.53 71.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 10.0 109.833 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 9.3 mt -44.25 -38.47 3.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 10.0 109.681 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -59.38 -33.67 71.49 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.91 . . . . 10.0 109.777 179.568 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' B' ' 44' ' ' ALA . 12.4 mt-10 -96.38 9.32 41.6 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -0.822 . . . . 10.0 110.076 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.663 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -37.08 -73.75 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.366 -0.834 . . . . 10.0 110.078 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.663 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.1 OUTLIER 5.02 103.59 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 121.269 0.557 . . . . 10.0 111.257 -179.407 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.482 ' HB2' ' CZ ' ' B' ' 46' ' ' ARG . 2.2 tpp180 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.002 -0.999 . . . . 10.0 110.187 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 121.16 0.505 . . . . 10.0 110.242 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.451 ' HG2' ' N ' ' A' ' 3' ' ' GLY . 4.6 ttp -174.71 -66.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.099 -1.0 . . . . 10.0 110.135 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.451 ' N ' ' HG2' ' A' ' 2' ' ' MET . . . 43.63 -164.22 0.04 OUTLIER Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.564 -1.414 . . . . 10.0 109.564 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.539 ' C ' HD12 ' A' ' 5' ' ' ILE . 14.7 t-80 -107.88 4.34 25.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.251 -1.147 . . . . 10.0 110.202 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.787 HG22 ' O ' ' A' ' 5' ' ' ILE . 1.5 mp -111.03 90.65 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.234 -0.916 . . . . 10.0 110.043 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.432 ' O ' ' CG ' ' A' ' 6' ' ' GLN . 12.8 pt20 -151.85 131.06 12.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.345 -0.847 . . . . 10.0 110.104 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -140.21 133.28 14.98 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.923 . . . . 10.0 110.155 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.19 142.17 41.13 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 O-C-N 124.078 1.567 . . . . 10.0 110.632 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.25 -176.98 2.7 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 O-C-N 123.983 1.517 . . . . 10.0 110.453 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.18 -43.5 3.14 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.389 -1.484 . . . . 10.0 109.389 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tp -66.85 -50.19 63.32 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.224 -1.163 . . . . 10.0 110.038 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 1.3 m -53.27 -25.19 13.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.907 . . . . 10.0 110.237 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -75.84 -63.07 1.39 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.19 -0.944 . . . . 10.0 110.355 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.748 HD22 HD23 ' B' ' 30' ' ' LEU . 0.6 OUTLIER -46.26 -51.21 14.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.163 -0.961 . . . . 10.0 110.334 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 15' ' ' LEU . 5.7 mt -60.43 -51.59 68.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.169 -0.957 . . . . 10.0 110.098 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.595 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -42.94 -50.6 5.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.212 -0.93 . . . . 10.0 109.727 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -53.08 -59.65 9.16 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.156 -1.578 . . . . 10.0 109.156 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.805 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -40.02 -58.59 1.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.384 -1.068 . . . . 10.0 110.105 179.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.99 -41.1 46.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.859 . . . . 10.0 109.618 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 16' ' ' GLN . 49.6 t -70.41 -27.81 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.358 -0.839 . . . . 10.0 110.217 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -88.34 -67.81 0.81 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.119 -0.988 . . . . 10.0 109.538 179.594 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 18' ' ' TYR . 6.2 t -41.55 -25.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.615 -0.678 . . . . 10.0 110.09 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' GLU . 3.5 tp -89.97 -32.78 16.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.273 -0.892 . . . . 10.0 110.466 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.548 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -87.89 11.96 14.37 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.185 -0.947 . . . . 10.0 110.806 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.659 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -168.54 44.15 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.941 -1.099 . . . . 10.0 110.606 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.659 ' C ' ' O ' ' A' ' 25' ' ' GLN . 4.4 mm-40 -14.17 94.69 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.643 -0.661 . . . . 10.0 110.904 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.612 ' HD3' ' OE1' ' A' ' 25' ' ' GLN . 46.3 Cg_endo -70.9 147.32 55.29 Favored 'Trans proline' 0 C--N 1.301 -1.935 0 O-C-N 124.471 1.774 . . . . 10.0 110.856 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.06 -20.29 33.63 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 123.995 1.524 . . . . 10.0 109.989 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 29' ' ' ASP . 4.5 p30 -160.05 116.69 2.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.375 -0.828 . . . . 10.0 109.99 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.705 HD23 HD22 ' B' ' 14' ' ' LEU . 6.3 tp -64.66 -66.24 0.57 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.239 -0.913 . . . . 10.0 110.28 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.62 ' C ' ' O ' ' A' ' 30' ' ' LEU . 10.0 t -25.37 -62.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 CA-C-O 121.572 0.701 . . . . 10.0 110.25 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.93 -53.03 62.67 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.663 -0.648 . . . . 10.0 109.646 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -52.24 -65.69 0.51 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.139 -0.976 . . . . 10.0 108.854 178.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.805 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -43.39 -32.01 0.77 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.464 -0.772 . . . . 10.0 109.99 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.566 HG22 ' OG1' ' B' ' 39' ' ' THR . 2.4 t -83.18 -55.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 O-C-N 121.122 -0.986 . . . . 10.0 110.07 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -36.84 68.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.285 -0.885 . . . . 10.0 110.007 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.486 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 70.4 t80 -72.63 -64.22 1.0 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.186 -0.946 . . . . 10.0 110.459 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CE1' HD23 ' A' ' 14' ' ' LEU . 11.1 m-85 -56.94 -55.69 31.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.238 -0.914 . . . . 10.0 110.442 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.563 ' OG1' HG22 ' B' ' 35' ' ' VAL . 18.8 m -48.02 -53.38 16.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.0 -1.063 . . . . 10.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -63.43 -23.45 67.41 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.261 -0.899 . . . . 10.0 110.016 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -30.8 62.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.844 . . . . 10.0 110.068 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.494 ' HG2' HG11 ' B' ' 31' ' ' VAL . 0.9 OUTLIER -59.84 -18.07 41.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.265 -0.897 . . . . 10.0 110.138 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.35 -21.35 35.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.271 -0.893 . . . . 10.0 110.242 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.639 ' O ' ' N ' ' A' ' 46' ' ' ARG . . . -47.93 -71.72 0.06 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.147 -0.97 . . . . 10.0 110.671 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.625 ' O ' ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -34.37 85.71 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.138 0.494 . . . . 10.0 111.281 -178.467 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.639 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 117.943 -1.027 . . . . 10.0 109.967 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.159 0.504 . . . . 10.0 110.264 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . 0.464 ' HG2' ' N ' ' B' ' 3' ' ' GLY . 4.4 ttp -172.9 -65.18 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.173 -0.954 . . . . 10.0 110.055 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . 0.464 ' N ' ' HG2' ' B' ' 2' ' ' MET . . . 43.68 -164.73 0.03 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.539 -1.425 . . . . 10.0 109.539 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.525 ' C ' HD12 ' B' ' 5' ' ' ILE . 14.4 t-80 -107.37 3.78 25.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.358 -1.084 . . . . 10.0 110.138 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.789 HG22 ' O ' ' B' ' 5' ' ' ILE . 1.5 mp -110.52 90.8 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.299 -0.875 . . . . 10.0 110.083 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.429 ' O ' ' CG ' ' B' ' 6' ' ' GLN . 13.1 pt20 -151.66 130.86 12.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.258 -0.901 . . . . 10.0 110.2 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -140.15 133.11 14.96 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.198 -0.939 . . . . 10.0 110.22 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -71.17 142.1 41.05 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 O-C-N 124.029 1.542 . . . . 10.0 110.603 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.22 -177.09 2.76 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 124.028 1.541 . . . . 10.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.16 -43.69 3.15 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.466 -1.454 . . . . 10.0 109.466 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.7 -49.63 65.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.231 -1.158 . . . . 10.0 110.094 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.5 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 1.4 m -53.91 -24.79 17.39 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 10.0 110.247 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -76.35 -62.14 1.72 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.244 -0.91 . . . . 10.0 110.313 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.705 HD22 HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -47.1 -50.37 20.15 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.216 -0.928 . . . . 10.0 110.352 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.463 ' N ' HD23 ' B' ' 15' ' ' LEU . 5.6 mt -61.23 -51.71 67.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.937 . . . . 10.0 110.168 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.609 ' O ' HG23 ' B' ' 20' ' ' VAL . 0.0 OUTLIER -42.84 -50.29 5.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.281 -0.887 . . . . 10.0 109.77 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -53.38 -59.86 9.01 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.144 -1.583 . . . . 10.0 109.144 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.81 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.4 OUTLIER -39.93 -58.58 1.37 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.408 -1.054 . . . . 10.0 110.057 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.07 -41.05 47.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.237 -0.914 . . . . 10.0 109.651 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 16' ' ' GLN . 49.1 t -70.41 -27.69 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.392 -0.818 . . . . 10.0 110.171 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' B' ' 17' ' ' GLY . 0.8 OUTLIER -88.45 -67.99 0.8 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.193 -0.942 . . . . 10.0 109.478 179.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 18' ' ' TYR . 5.9 t -41.41 -25.44 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.637 -0.664 . . . . 10.0 110.15 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.479 ' N ' ' O ' ' B' ' 21' ' ' GLU . 3.3 tp -90.24 -32.76 16.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.217 -0.927 . . . . 10.0 110.369 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -87.55 11.77 14.08 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.101 -0.999 . . . . 10.0 110.817 -179.571 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.663 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -168.38 44.0 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.072 -1.017 . . . . 10.0 110.641 179.622 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.663 ' C ' ' O ' ' B' ' 25' ' ' GLN . 4.5 mm-40 -14.19 94.78 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.948 0 O-C-N 121.606 -0.684 . . . . 10.0 110.895 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.615 ' HD3' ' OE1' ' B' ' 25' ' ' GLN . 46.0 Cg_endo -70.78 147.45 56.33 Favored 'Trans proline' 0 C--N 1.3 -1.984 0 O-C-N 124.474 1.776 . . . . 10.0 110.916 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.1 -20.12 33.66 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.031 1.543 . . . . 10.0 110.003 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' B' ' 29' ' ' ASP . 4.7 p30 -160.35 116.49 2.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.455 -0.778 . . . . 10.0 110.012 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.748 HD23 HD22 ' A' ' 14' ' ' LEU . 6.4 tp -64.29 -66.29 0.56 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.23 -0.919 . . . . 10.0 110.437 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.617 ' C ' ' O ' ' B' ' 30' ' ' LEU . 10.0 t -25.16 -63.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.521 -0.737 . . . . 10.0 110.253 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -53.17 61.06 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.686 -0.634 . . . . 10.0 109.563 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' B' ' 30' ' ' LEU . 0.8 OUTLIER -52.04 -65.81 0.49 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.2 -0.938 . . . . 10.0 108.86 178.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.81 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -43.21 -31.91 0.67 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 10.0 110.047 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.563 HG22 ' OG1' ' A' ' 39' ' ' THR . 2.4 t -83.39 -55.82 6.69 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 O-C-N 121.164 -0.96 . . . . 10.0 110.063 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -36.21 67.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.281 -0.887 . . . . 10.0 110.077 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.481 ' HB2' ' CE1' ' B' ' 33' ' ' PHE . 70.3 t80 -73.25 -64.0 1.07 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.286 -0.884 . . . . 10.0 110.403 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.445 ' CE1' HD23 ' B' ' 14' ' ' LEU . 11.1 m-85 -57.32 -55.29 36.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 10.0 110.473 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.566 ' OG1' HG22 ' A' ' 35' ' ' VAL . 18.8 m -48.33 -53.07 18.76 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.986 -1.071 . . . . 10.0 110.038 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -64.05 -23.3 67.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 10.0 110.024 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.9 -29.77 62.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.35 -0.844 . . . . 10.0 110.047 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.5 ' HG2' HG11 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -60.89 -18.34 55.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 10.0 110.187 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.88 -21.44 37.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.887 . . . . 10.0 110.211 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.641 ' O ' ' N ' ' B' ' 46' ' ' ARG . . . -47.8 -71.76 0.06 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.167 -0.958 . . . . 10.0 110.631 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.622 ' O ' ' HB2' ' B' ' 46' ' ' ARG . 0.0 OUTLIER -34.44 85.81 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 121.022 0.439 . . . . 10.0 111.268 -178.473 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.641 ' N ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 118.006 -0.997 . . . . 10.0 109.901 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 22.6 m80 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.27 0.557 . . . . 10.0 110.112 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.5 ttp -148.16 -13.12 0.36 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.21 -0.931 . . . . 10.0 110.728 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.414 ' O ' ' CD2' ' A' ' 4' ' ' HIS . . . 146.96 156.46 6.95 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.6 -1.4 . . . . 10.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 3' ' ' GLY . 1.2 m170 -161.29 82.97 0.63 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.2 -1.176 . . . . 10.0 110.116 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.845 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -119.87 52.27 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.16 -0.963 . . . . 10.0 110.073 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' C ' HG12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -168.4 36.63 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.111 -0.993 . . . . 10.0 110.271 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.454 HG12 ' C ' ' A' ' 6' ' ' GLN . 27.3 mm -153.84 119.14 2.77 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.283 -0.886 . . . . 10.0 110.137 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -71.46 152.1 59.97 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 124.031 1.543 . . . . 10.0 110.734 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.96 -169.12 0.52 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 O-C-N 124.01 1.531 . . . . 10.0 110.453 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.22 -45.01 3.42 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.469 -1.452 . . . . 10.0 109.469 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.655 HD22 ' HG ' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -72.41 -27.44 62.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.215 -1.168 . . . . 10.0 110.022 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 4.7 m -69.19 -25.7 64.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.317 -0.864 . . . . 10.0 110.281 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -75.72 -43.12 48.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 10.0 110.305 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.28 -45.67 92.24 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.289 -0.882 . . . . 10.0 110.377 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.472 ' HG ' ' HG ' ' B' ' 15' ' ' LEU . 4.9 mp -66.31 -60.53 2.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.312 -0.868 . . . . 10.0 110.616 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -38.28 -66.16 0.29 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.189 -0.944 . . . . 10.0 110.102 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.535 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -45.96 -46.54 14.55 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.985 -1.646 . . . . 10.0 108.985 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.764 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -43.87 -62.21 1.19 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.378 -1.072 . . . . 10.0 110.181 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -51.18 -32.42 23.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.374 -0.829 . . . . 10.0 110.103 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 16' ' ' GLN . 16.3 t -74.55 -22.18 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.184 -0.947 . . . . 10.0 110.4 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.7 OUTLIER -91.64 -56.55 3.07 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.071 -1.018 . . . . 10.0 109.637 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.645 HG22 ' CE2' ' A' ' 33' ' ' PHE . 3.5 t -51.17 -28.8 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.649 -0.657 . . . . 10.0 110.174 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 19' ' ' THR . 2.7 mt -89.17 -33.91 16.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 10.0 109.924 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 3.3 tpt180 -73.36 -68.8 0.47 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 10.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.508 ' HG3' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -77.64 -26.26 50.33 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.183 -0.948 . . . . 10.0 110.24 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 42.91 74.73 0.72 Allowed Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.178 -0.952 . . . . 10.0 110.155 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.508 ' HD3' ' HG3' ' A' ' 25' ' ' GLN . 44.6 Cg_endo -70.67 170.49 17.54 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 124.116 1.588 . . . . 10.0 110.564 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.66 -49.41 0.58 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 124.046 1.55 . . . . 10.0 110.549 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.41 147.06 44.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.235 -0.916 . . . . 10.0 110.182 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.614 HD13 ' O ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -85.38 -47.59 9.85 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.293 -0.879 . . . . 10.0 109.901 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.449 HG23 ' H ' ' A' ' 31' ' ' VAL . 12.7 t -43.51 -68.96 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 10.0 109.723 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -49.69 -36.2 24.31 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.518 -0.739 . . . . 10.0 109.909 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.733 ' CE2' ' CE1' ' A' ' 18' ' ' TYR . 17.2 t80 -66.72 -43.52 84.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.933 . . . . 10.0 109.591 179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.767 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -60.25 -30.88 69.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.425 -0.797 . . . . 10.0 109.821 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.694 HG21 ' HA ' ' B' ' 39' ' ' THR . 24.2 t -83.69 -31.27 8.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 121.332 -0.855 . . . . 10.0 110.274 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.527 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -77.26 -36.11 54.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.291 -0.88 . . . . 10.0 110.427 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.527 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 52.3 t80 -73.39 -58.17 3.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.17 -0.956 . . . . 10.0 110.599 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.718 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 20.9 m-85 -61.34 -52.79 63.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.175 -0.953 . . . . 10.0 110.522 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.668 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 3.8 m -48.63 -53.33 19.01 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.993 -1.067 . . . . 10.0 109.528 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' O ' ' HB3' ' A' ' 43' ' ' GLU . 67.6 ttt180 -57.72 -25.8 60.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.82 . . . . 10.0 109.826 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -61.37 -40.59 94.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 10.0 109.765 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.405 ' NH1' ' CG ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -53.5 -25.15 15.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.335 -0.853 . . . . 10.0 110.273 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.495 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -66.31 -28.44 68.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -0.911 . . . . 10.0 109.895 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' A' ' 45' ' ' ARG . . . -61.41 -69.88 0.22 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.332 -0.855 . . . . 10.0 110.384 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.493 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -40.83 166.24 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 120.274 -0.57 . . . . 10.0 110.527 -178.677 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 45' ' ' ARG . 4.5 ttm180 . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 117.932 -1.032 . . . . 10.0 110.187 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 22.5 m80 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.291 0.567 . . . . 10.0 110.27 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 4.4 ttp -148.89 -14.99 0.31 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 10.0 110.641 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . 0.445 ' O ' ' CD2' ' B' ' 4' ' ' HIS . . . 148.46 156.5 7.12 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.595 -1.402 . . . . 10.0 109.595 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' B' ' 3' ' ' GLY . 1.4 m170 -161.08 82.72 0.64 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -1.157 . . . . 10.0 110.13 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.851 ' O ' HG23 ' B' ' 5' ' ' ILE . 0.2 OUTLIER -119.59 51.8 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.274 -0.891 . . . . 10.0 110.168 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.46 ' C ' HG12 ' B' ' 7' ' ' ILE . 0.0 OUTLIER -168.21 36.77 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.154 -0.966 . . . . 10.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.46 HG12 ' C ' ' B' ' 6' ' ' GLN . 27.1 mm -153.69 119.31 2.81 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.264 -0.897 . . . . 10.0 110.19 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.51 152.01 59.58 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 O-C-N 124.007 1.53 . . . . 10.0 110.693 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -73.92 -169.03 0.51 Allowed 'Trans proline' 0 C--N 1.303 -1.82 0 O-C-N 124.035 1.545 . . . . 10.0 110.461 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.15 -45.1 3.43 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.49 -1.444 . . . . 10.0 109.49 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.501 HD22 ' HG ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -72.27 -27.1 62.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.205 -1.174 . . . . 10.0 110.032 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 4.7 m -69.44 -26.05 64.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.26 -0.9 . . . . 10.0 110.3 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -75.54 -43.5 48.35 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.24 -0.913 . . . . 10.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.535 ' CD2' HD12 ' A' ' 30' ' ' LEU . 5.2 mp -61.82 -46.2 90.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.22 -0.925 . . . . 10.0 110.394 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.472 ' HG ' ' HG ' ' A' ' 15' ' ' LEU . 4.9 mp -65.87 -60.48 2.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.272 -0.892 . . . . 10.0 110.571 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -38.12 -66.36 0.27 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.312 -0.868 . . . . 10.0 110.135 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -45.96 -46.72 14.65 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.977 -1.649 . . . . 10.0 108.977 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.758 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.4 OUTLIER -43.57 -62.08 1.19 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.411 -1.053 . . . . 10.0 110.159 179.704 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -51.38 -32.37 25.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.41 -0.806 . . . . 10.0 110.015 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 16' ' ' GLN . 16.5 t -74.75 -22.29 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.908 . . . . 10.0 110.437 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.538 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.7 OUTLIER -91.4 -56.54 3.09 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.197 -0.94 . . . . 10.0 109.688 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.649 HG22 ' CE2' ' B' ' 33' ' ' PHE . 3.4 t -51.14 -29.07 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.594 -0.691 . . . . 10.0 110.175 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.527 ' HB2' ' O ' ' B' ' 19' ' ' THR . 2.8 mt -88.93 -33.69 17.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.102 -0.999 . . . . 10.0 109.926 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 3.4 tpt180 -73.56 -68.52 0.5 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.354 -0.841 . . . . 10.0 110.32 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.506 ' HG3' ' HD3' ' B' ' 27' ' ' PRO . 0.0 OUTLIER -77.85 -26.29 49.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.183 -0.948 . . . . 10.0 110.155 -179.774 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 42.99 74.68 0.74 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.178 -0.951 . . . . 10.0 110.241 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.506 ' HD3' ' HG3' ' B' ' 25' ' ' GLN . 45.0 Cg_endo -70.67 170.2 18.24 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 O-C-N 124.118 1.588 . . . . 10.0 110.522 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.64 -49.18 0.6 Allowed 'Trans proline' 0 C--N 1.304 -1.776 0 O-C-N 124.05 1.552 . . . . 10.0 110.631 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.57 146.79 45.19 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.253 -0.904 . . . . 10.0 110.188 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.655 ' HG ' HD22 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -85.19 -47.48 10.07 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.335 -0.853 . . . . 10.0 109.966 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.438 HG23 ' H ' ' B' ' 31' ' ' VAL . 12.4 t -43.6 -69.0 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.204 -0.935 . . . . 10.0 109.743 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -49.71 -36.03 23.97 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.618 -0.676 . . . . 10.0 109.885 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.723 ' CE2' ' CE1' ' B' ' 18' ' ' TYR . 17.2 t80 -66.89 -42.79 84.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 10.0 109.581 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.758 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -61.11 -30.99 70.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.391 -0.818 . . . . 10.0 109.859 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.662 ' O ' ' HB ' ' B' ' 39' ' ' THR . 22.3 t -83.6 -29.9 7.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.381 -0.824 . . . . 10.0 110.249 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.541 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -78.8 -35.61 44.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.321 -0.862 . . . . 10.0 110.461 -179.667 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.541 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 51.1 t80 -74.04 -57.3 4.05 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.199 -0.938 . . . . 10.0 110.556 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.767 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 21.2 m-85 -62.34 -50.98 69.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.167 -0.958 . . . . 10.0 110.448 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.694 ' HA ' HG21 ' A' ' 35' ' ' VAL . 3.6 m -49.69 -53.17 26.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.929 -1.107 . . . . 10.0 109.494 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.496 ' O ' ' HB3' ' B' ' 43' ' ' GLU . 67.8 ttt180 -58.15 -25.15 61.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.466 -0.771 . . . . 10.0 109.886 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' B' ' 41' ' ' LEU . 0.0 OUTLIER -61.9 -41.24 97.67 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.245 -0.91 . . . . 10.0 109.772 179.688 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -24.98 10.14 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.33 -0.856 . . . . 10.0 110.296 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -66.52 -28.8 68.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.215 -0.928 . . . . 10.0 109.856 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.499 ' O ' ' O ' ' B' ' 45' ' ' ARG . . . -60.97 -70.15 0.2 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.24 -0.913 . . . . 10.0 110.33 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.499 ' O ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -40.86 166.53 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 120.27 -0.572 . . . . 10.0 110.527 -178.764 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' B' ' 45' ' ' ARG . 4.8 ttm180 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 118.027 -0.987 . . . . 10.0 110.251 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.189 0.518 . . . . 10.0 110.319 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.08 -38.58 0.18 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.204 -0.935 . . . . 10.0 110.167 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.443 ' HA3' ' NE2' ' A' ' 6' ' ' GLN . . . -152.76 112.26 0.52 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.503 -1.439 . . . . 10.0 109.503 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.79 -23.4 3.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -1.136 . . . . 10.0 110.417 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.6 OUTLIER -115.76 47.42 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.11 -0.994 . . . . 10.0 110.368 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.443 ' NE2' ' HA3' ' A' ' 3' ' ' GLY . 6.8 pt20 -128.54 -155.98 0.73 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.186 -0.946 . . . . 10.0 109.943 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.802 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -41.44 150.21 0.34 Allowed Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.062 -1.024 . . . . 10.0 110.505 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.53 ' HG2' ' CB ' ' A' ' 11' ' ' LEU . 49.0 Cg_endo -74.65 156.53 44.56 Favored 'Trans proline' 0 C--N 1.299 -2.074 0 O-C-N 124.091 1.574 . . . . 10.0 110.927 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -74.28 143.45 31.68 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 O-C-N 124.108 1.583 . . . . 10.0 110.466 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.04 -28.74 5.41 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.497 -1.441 . . . . 10.0 109.497 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.577 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 2.6 tm? -75.27 -40.09 59.13 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.287 -1.126 . . . . 10.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.628 HG22 ' N ' ' A' ' 13' ' ' GLU . 2.4 m -54.43 -78.0 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.304 -0.873 . . . . 10.0 110.588 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.628 ' N ' HG22 ' A' ' 12' ' ' THR . 1.5 mm-40 -34.4 -55.85 0.52 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.586 -0.696 . . . . 10.0 110.642 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -36.77 74.75 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.17 -0.956 . . . . 10.0 110.18 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.644 HD21 HD21 ' B' ' 15' ' ' LEU . 0.2 OUTLIER -69.48 -70.87 0.25 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.172 -0.955 . . . . 10.0 110.286 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.867 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.9 mt-30 -41.09 -32.91 0.28 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.373 -0.829 . . . . 10.0 110.149 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -65.41 -53.49 32.07 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.191 -1.563 . . . . 10.0 109.191 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.788 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -69.3 -34.94 75.46 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.316 -1.108 . . . . 10.0 109.343 179.378 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -64.81 -39.96 94.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.341 -0.849 . . . . 10.0 109.668 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 16' ' ' GLN . 66.9 t -64.13 -29.13 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.311 -0.868 . . . . 10.0 109.698 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.73 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -71.28 -34.38 70.62 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.249 -0.907 . . . . 10.0 109.029 179.418 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.6 t -73.04 -55.92 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.703 -0.623 . . . . 10.0 109.816 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.487 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -55.85 -19.02 10.15 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.108 -0.995 . . . . 10.0 109.643 179.485 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 -49.14 6.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.426 -0.796 . . . . 10.0 110.143 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' GLN . 14.5 mm-40 -89.57 -21.24 22.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 10.0 110.465 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.8 OUTLIER 43.41 64.15 7.0 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.141 -0.974 . . . . 10.0 110.093 -179.83 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.605 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -69.97 151.1 67.74 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.083 1.57 . . . . 10.0 110.707 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.73 -23.4 31.0 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 123.996 1.524 . . . . 10.0 110.219 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -134.26 125.06 26.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.371 -0.831 . . . . 10.0 110.059 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.015 ' CD1' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -80.7 -66.26 0.91 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.228 -0.92 . . . . 10.0 110.402 -179.78 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.618 ' C ' ' O ' ' A' ' 30' ' ' LEU . 6.9 t -21.49 -56.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-O 121.598 0.714 . . . . 10.0 110.577 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' LEU . 4.8 t0 -66.51 -50.72 62.28 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.591 -0.693 . . . . 10.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.605 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 17.3 t80 -58.54 -51.98 67.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.046 -1.034 . . . . 10.0 109.765 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.015 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . . . -56.2 -28.66 59.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.355 -0.84 . . . . 10.0 109.822 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.65 HG23 ' HB3' ' B' ' 38' ' ' PHE . 2.4 t -87.33 -51.72 12.46 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 O-C-N 121.28 -0.888 . . . . 10.0 110.068 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -48.35 -38.61 19.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.107 -0.996 . . . . 10.0 110.228 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.536 ' CD2' ' OE1' ' A' ' 21' ' ' GLU . 5.6 t80 -74.89 -62.5 1.52 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.159 -0.963 . . . . 10.0 110.325 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.625 ' HB3' HG23 ' B' ' 35' ' ' VAL . 12.0 m-85 -61.44 -48.72 79.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.296 -0.877 . . . . 10.0 110.391 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.612 ' HA ' HG21 ' B' ' 35' ' ' VAL . 44.6 m -52.45 -44.42 65.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.098 -1.001 . . . . 10.0 109.699 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -63.19 -27.12 69.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.322 -0.861 . . . . 10.0 109.8 179.602 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HA ' HD12 ' A' ' 41' ' ' LEU . 12.9 tp -68.93 -35.83 77.26 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.386 -0.821 . . . . 10.0 109.982 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.424 ' HD3' ' CG ' ' B' ' 32' ' ' ASP . 0.2 OUTLIER -52.38 -32.89 40.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.26 -0.9 . . . . 10.0 109.993 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -78.58 -36.93 43.68 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.379 -0.825 . . . . 10.0 109.97 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.488 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -42.73 -70.93 0.09 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.368 -0.833 . . . . 10.0 110.346 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.589 ' NH1' HG11 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -34.21 145.78 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.404 0 CA-C-O 121.282 0.563 . . . . 10.0 110.596 -178.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 118.029 -0.986 . . . . 10.0 110.209 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.181 0.515 . . . . 10.0 110.33 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.04 -38.37 0.18 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.214 -0.929 . . . . 10.0 110.195 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . 0.438 ' HA3' ' NE2' ' B' ' 6' ' ' GLN . . . -152.93 111.95 0.51 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.431 -1.468 . . . . 10.0 109.431 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.35 -23.3 3.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.161 -1.199 . . . . 10.0 110.444 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.655 ' O ' HG23 ' B' ' 5' ' ' ILE . 0.6 OUTLIER -115.91 47.4 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.224 -0.923 . . . . 10.0 110.347 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.438 ' NE2' ' HA3' ' B' ' 3' ' ' GLY . 6.8 pt20 -128.53 -155.97 0.73 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.238 -0.914 . . . . 10.0 109.99 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.802 HD13 ' O ' ' B' ' 7' ' ' ILE . 0.0 OUTLIER -41.3 150.06 0.34 Allowed Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 121.124 -0.985 . . . . 10.0 110.491 -179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.531 ' HG2' ' CB ' ' B' ' 11' ' ' LEU . 47.8 Cg_endo -74.62 156.41 44.74 Favored 'Trans proline' 0 C--N 1.3 -2.025 0 O-C-N 124.026 1.54 . . . . 10.0 110.9 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -74.23 143.42 31.84 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 O-C-N 124.109 1.584 . . . . 10.0 110.314 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.04 -28.53 5.51 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.585 -1.406 . . . . 10.0 109.585 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' B' ' 15' ' ' LEU . 2.6 tm? -75.52 -39.83 57.89 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.195 -1.179 . . . . 10.0 110.091 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.606 HG22 ' N ' ' B' ' 13' ' ' GLU . 2.7 m -54.63 -77.75 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.366 -0.834 . . . . 10.0 110.607 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.606 ' N ' HG22 ' B' ' 12' ' ' THR . 1.5 mm-40 -34.4 -55.78 0.52 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.516 -0.74 . . . . 10.0 110.604 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -36.52 74.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.11 -0.994 . . . . 10.0 110.184 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.644 HD21 HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -69.69 -70.91 0.26 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.21 -0.931 . . . . 10.0 110.222 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.867 ' O ' HG23 ' B' ' 20' ' ' VAL . 1.6 mt-30 -41.01 -32.68 0.25 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.257 -0.902 . . . . 10.0 110.108 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -65.85 -53.5 30.44 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.093 -1.603 . . . . 10.0 109.093 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.79 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.0 OUTLIER -69.28 -34.65 75.06 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.243 -1.151 . . . . 10.0 109.375 179.427 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -65.08 -40.05 94.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.278 -0.889 . . . . 10.0 109.755 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 16' ' ' GLN . 65.5 t -64.08 -28.83 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.389 -0.819 . . . . 10.0 109.662 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.727 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.8 OUTLIER -71.68 -33.9 69.22 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.22 -0.925 . . . . 10.0 109.085 179.427 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.79 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.6 t -73.37 -56.05 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.7 -0.625 . . . . 10.0 109.905 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.495 ' O ' ' NE2' ' B' ' 26' ' ' GLN . 0.5 OUTLIER -55.62 -19.53 10.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.124 -0.985 . . . . 10.0 109.594 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -49.51 6.74 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.393 -0.817 . . . . 10.0 110.239 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' B' ' 26' ' ' GLN . 14.9 mm-40 -89.08 -21.78 23.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.226 -0.921 . . . . 10.0 110.463 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' B' ' 22' ' ' VAL . 0.7 OUTLIER 44.11 63.92 7.76 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.242 -0.911 . . . . 10.0 110.06 -179.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.604 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 44.6 Cg_endo -69.91 150.91 67.94 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 O-C-N 124.075 1.566 . . . . 10.0 110.671 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.88 -23.39 30.32 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 123.994 1.523 . . . . 10.0 110.142 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -133.9 124.68 26.83 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.353 -0.842 . . . . 10.0 110.016 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 1.02 ' CD1' ' HB2' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -80.42 -66.35 0.89 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.217 -0.927 . . . . 10.0 110.416 -179.826 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.615 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.5 t -21.51 -57.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 CA-C-O 121.623 0.725 . . . . 10.0 110.694 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' B' ' 30' ' ' LEU . 5.3 t0 -66.18 -50.85 62.46 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.571 -0.706 . . . . 10.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.604 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 17.5 t80 -58.41 -52.15 66.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.096 -1.002 . . . . 10.0 109.831 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 1.02 ' HB2' ' CD1' ' B' ' 30' ' ' LEU . . . -56.08 -28.78 59.04 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.291 -0.881 . . . . 10.0 109.889 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.625 HG23 ' HB3' ' A' ' 38' ' ' PHE . 2.4 t -87.28 -51.69 12.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 O-C-N 121.312 -0.867 . . . . 10.0 110.085 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -48.22 -38.88 19.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.113 -0.992 . . . . 10.0 110.194 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.536 ' CD2' ' OE1' ' B' ' 21' ' ' GLU . 5.6 t80 -74.87 -61.96 1.71 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 10.0 110.318 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.65 ' HB3' HG23 ' A' ' 35' ' ' VAL . 11.8 m-85 -61.86 -48.58 79.88 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.922 . . . . 10.0 110.362 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.586 ' HA ' HG21 ' A' ' 35' ' ' VAL . 38.9 m -52.76 -44.16 66.3 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.986 -1.071 . . . . 10.0 109.641 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.5 OUTLIER -63.44 -26.73 68.86 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 10.0 109.75 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.468 ' HA ' HD12 ' B' ' 41' ' ' LEU . 13.2 tp -69.41 -35.7 76.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.346 -0.846 . . . . 10.0 109.977 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.418 ' HD3' ' CG ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -52.49 -32.28 39.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.867 . . . . 10.0 110.059 179.761 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -78.99 -37.11 40.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.918 . . . . 10.0 110.018 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.507 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -42.71 -70.78 0.1 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.419 -0.801 . . . . 10.0 110.378 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.583 ' NH1' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -34.32 146.18 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.251 0.548 . . . . 10.0 110.687 -178.731 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' B' ' 45' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.008 -0.996 . . . . 10.0 110.156 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.575 ' O ' ' CD2' ' A' ' 1' ' ' HIS . 74.3 t60 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.171 0.51 . . . . 10.0 110.306 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' ' 1' ' ' HIS . 17.2 mtp -142.62 -88.75 0.14 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.241 -0.912 . . . . 10.0 110.227 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.416 ' O ' ' ND1' ' A' ' 4' ' ' HIS . . . -108.88 155.51 16.07 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.556 -1.418 . . . . 10.0 109.556 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.416 ' ND1' ' O ' ' A' ' 3' ' ' GLY . 47.4 m-70 -144.81 155.83 43.71 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.256 -1.144 . . . . 10.0 110.256 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 5' ' ' ILE . 1.4 tp -118.9 48.25 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.236 -0.915 . . . . 10.0 110.188 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.48 170.26 16.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.224 -0.923 . . . . 10.0 110.193 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.76 138.62 28.79 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.338 -0.851 . . . . 10.0 110.089 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.693 ' HB2' ' HB2' ' A' ' 11' ' ' LEU . 46.4 Cg_endo -69.31 162.83 40.27 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 O-C-N 124.019 1.536 . . . . 10.0 110.602 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.557 ' O ' ' N ' ' A' ' 11' ' ' LEU . 52.6 Cg_endo -80.76 129.25 7.09 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 O-C-N 123.961 1.506 . . . . 10.0 111.98 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' PRO . . . 40.69 20.57 0.03 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 110.327 -1.109 . . . . 10.0 110.327 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.702 ' CD2' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -85.85 -21.2 28.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.056 -1.261 . . . . 10.0 110.068 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.649 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 7.3 m -62.21 -26.19 68.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 10.0 110.2 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -84.55 -54.61 4.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.286 -0.884 . . . . 10.0 110.504 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.666 HD12 HD13 ' B' ' 30' ' ' LEU . 76.5 mt -60.85 -48.29 82.49 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.244 -0.91 . . . . 10.0 110.415 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.702 HD13 ' CD2' ' A' ' 11' ' ' LEU . 3.5 tp -61.43 -55.9 26.17 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.124 -0.985 . . . . 10.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.649 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -41.51 -42.67 2.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.018 -1.051 . . . . 10.0 109.341 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.553 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -52.28 -65.58 3.18 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.787 -1.725 . . . . 10.0 108.787 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.861 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -38.37 -58.89 0.95 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.431 -1.04 . . . . 10.0 110.014 179.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.539 ' O ' ' HB2' ' A' ' 23' A LEU . 1.8 m -51.04 -34.51 29.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.357 -0.84 . . . . 10.0 109.923 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 17' ' ' GLY . 38.2 t -82.7 -25.11 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 10.0 110.481 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -87.18 -48.57 7.94 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.097 -1.002 . . . . 10.0 109.457 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 18' ' ' TYR . 3.2 t -59.93 -36.71 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.529 -0.732 . . . . 10.0 110.081 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.539 ' HB2' ' O ' ' A' ' 19' ' ' THR . 3.3 mp -74.93 -35.51 62.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.118 -0.988 . . . . 10.0 109.82 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -69.15 -9.18 51.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.276 -0.89 . . . . 10.0 109.949 179.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.632 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.1 pt20 -159.9 37.75 0.18 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.387 -0.821 . . . . 10.0 109.913 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.632 ' C ' ' O ' ' A' ' 25' ' ' GLN . 2.7 mt-30 -15.92 86.6 0.03 OUTLIER Pre-proline 0 N--CA 1.497 1.924 0 O-C-N 121.782 -0.574 . . . . 10.0 111.111 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.56 ' N ' ' O ' ' A' ' 25' ' ' GLN . 43.5 Cg_endo -69.55 162.47 41.83 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 O-C-N 124.098 1.578 . . . . 10.0 110.611 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.27 -40.23 6.37 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 O-C-N 124.074 1.565 . . . . 10.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -136.63 131.74 34.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.165 -0.959 . . . . 10.0 110.316 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.731 HD13 HD12 ' B' ' 14' ' ' LEU . 0.9 OUTLIER -78.36 -50.1 12.37 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.196 -0.94 . . . . 10.0 110.173 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.581 ' C ' ' O ' ' A' ' 30' ' ' LEU . 5.9 t -27.43 -62.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.544 -0.723 . . . . 10.0 110.513 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.468 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -63.23 -51.79 64.79 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.475 -0.766 . . . . 10.0 110.011 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 83.0 t80 -55.71 -50.21 70.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.148 -0.97 . . . . 10.0 109.703 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.814 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -53.93 -28.79 39.21 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.296 -0.877 . . . . 10.0 109.699 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.722 HG23 ' HB3' ' B' ' 38' ' ' PHE . 5.7 t -83.19 -56.52 5.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.402 -0.811 . . . . 10.0 109.848 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.538 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -52.35 -38.19 58.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.403 -0.811 . . . . 10.0 110.385 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.538 ' N ' ' HG3' ' A' ' 36' ' ' GLU . 31.5 t80 -73.09 -55.75 6.06 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.189 -0.944 . . . . 10.0 110.617 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.722 ' HB3' HG23 ' B' ' 35' ' ' VAL . 10.4 m-85 -67.39 -56.12 10.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.148 -0.97 . . . . 10.0 110.617 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 5.5 m -44.99 -40.81 6.78 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.967 -1.083 . . . . 10.0 109.894 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -72.09 -37.08 69.65 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.28 -0.887 . . . . 10.0 109.986 179.71 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.488 ' HB3' HG13 ' B' ' 31' ' ' VAL . 2.3 tp -49.25 -52.09 29.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.176 -0.952 . . . . 10.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.554 ' HG2' ' CG1' ' B' ' 31' ' ' VAL . 3.4 mmm-85 -53.63 -33.06 53.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.11 -0.994 . . . . 10.0 110.189 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -94.23 -26.74 16.51 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.242 -0.912 . . . . 10.0 110.047 -179.81 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.63 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -76.26 -69.83 0.48 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.305 -0.872 . . . . 10.0 110.649 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.63 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -17.15 118.89 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.324 0.583 . . . . 10.0 111.272 -178.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 118.03 -0.986 . . . . 10.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.57 ' O ' ' CD2' ' B' ' 1' ' ' HIS . 73.2 t60 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.179 0.514 . . . . 10.0 110.313 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' B' ' 1' ' ' HIS . 15.6 mtp -142.49 -89.42 0.14 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -0.911 . . . . 10.0 110.202 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . 0.421 ' O ' ' ND1' ' B' ' 4' ' ' HIS . . . -108.59 155.56 16.09 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.518 -1.433 . . . . 10.0 109.518 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' B' ' 3' ' ' GLY . 47.0 m-70 -144.85 155.78 43.66 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.231 -1.158 . . . . 10.0 110.176 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.631 ' O ' HG23 ' B' ' 5' ' ' ILE . 1.4 tp -118.73 48.9 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 10.0 110.202 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -144.93 169.41 18.13 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.287 -0.883 . . . . 10.0 110.291 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.82 138.73 28.02 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.242 -0.912 . . . . 10.0 110.105 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.702 ' HB2' ' HB2' ' B' ' 11' ' ' LEU . 46.3 Cg_endo -69.29 162.86 40.12 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 O-C-N 124.048 1.552 . . . . 10.0 110.686 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.56 ' O ' ' N ' ' B' ' 11' ' ' LEU . 51.9 Cg_endo -80.68 128.93 7.02 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 124.05 1.553 . . . . 10.0 111.944 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' B' ' 9' ' ' PRO . . . 40.82 20.44 0.03 OUTLIER Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.313 -1.115 . . . . 10.0 110.313 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.702 ' HB2' ' HB2' ' B' ' 8' ' ' PRO . 0.4 OUTLIER -85.6 -20.79 28.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.071 -1.253 . . . . 10.0 110.069 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.65 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 7.0 m -62.47 -26.35 68.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.324 -0.86 . . . . 10.0 110.155 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -84.43 -54.37 4.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.249 -0.907 . . . . 10.0 110.569 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.731 HD12 HD13 ' A' ' 30' ' ' LEU . 78.7 mt -61.13 -48.3 82.27 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.904 . . . . 10.0 110.463 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.698 HD13 ' CD2' ' B' ' 11' ' ' LEU . 3.6 tp -61.46 -55.9 26.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.122 -0.986 . . . . 10.0 110.282 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.65 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.9 OUTLIER -41.51 -42.55 2.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.139 -0.975 . . . . 10.0 109.37 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.576 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -52.46 -64.99 3.58 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 108.764 -1.734 . . . . 10.0 108.764 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.856 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.8 OUTLIER -38.98 -58.73 1.07 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -1.102 . . . . 10.0 109.892 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' B' ' 23' B LEU . 1.8 m -51.05 -34.83 31.54 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 10.0 109.983 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 39.0 t -82.07 -25.03 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.232 -0.918 . . . . 10.0 110.448 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' B' ' 17' ' ' GLY . 0.8 OUTLIER -87.45 -48.75 7.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.072 -1.017 . . . . 10.0 109.547 179.779 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.856 HG23 ' O ' ' B' ' 18' ' ' TYR . 3.3 t -59.63 -36.66 66.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.549 -0.72 . . . . 10.0 110.093 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.54 ' HB2' ' O ' ' B' ' 19' ' ' THR . 3.3 mp -75.11 -35.67 61.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 10.0 109.767 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -68.95 -9.02 49.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.38 -0.825 . . . . 10.0 109.989 179.754 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.629 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.0 pt20 -160.12 37.75 0.18 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.397 -0.814 . . . . 10.0 109.93 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.629 ' C ' ' O ' ' B' ' 25' ' ' GLN . 2.6 mt-30 -15.99 86.66 0.03 OUTLIER Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.836 -0.54 . . . . 10.0 111.118 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.562 ' N ' ' O ' ' B' ' 25' ' ' GLN . 43.5 Cg_endo -69.54 162.59 41.37 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.083 1.57 . . . . 10.0 110.603 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.53 -40.56 5.52 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.086 1.571 . . . . 10.0 110.608 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -136.19 131.58 34.79 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.221 -0.925 . . . . 10.0 110.293 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.678 HD22 ' HG ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -78.17 -49.92 12.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.289 -0.882 . . . . 10.0 110.23 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.577 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.0 t -27.63 -62.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.582 -0.699 . . . . 10.0 110.539 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.467 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -63.02 -51.56 66.31 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.562 -0.711 . . . . 10.0 110.079 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.577 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 82.7 t80 -56.07 -49.96 72.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.155 -0.966 . . . . 10.0 109.729 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.823 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -54.14 -29.01 43.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 10.0 109.635 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.722 HG23 ' HB3' ' A' ' 38' ' ' PHE . 5.6 t -82.88 -56.16 6.29 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.394 -0.816 . . . . 10.0 109.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -52.98 -38.08 61.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.308 -0.87 . . . . 10.0 110.366 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.539 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 31.3 t80 -73.07 -55.65 6.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.138 -0.976 . . . . 10.0 110.599 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.722 ' HB3' HG23 ' A' ' 35' ' ' VAL . 10.3 m-85 -67.5 -56.17 10.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 10.0 110.556 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 5.8 m -44.69 -41.15 6.52 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.088 -1.008 . . . . 10.0 109.998 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' B' ' 44' ' ' ALA . 0.1 OUTLIER -71.89 -36.95 70.21 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.937 . . . . 10.0 109.986 179.75 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.538 ' HB3' HG13 ' A' ' 31' ' ' VAL . 2.2 tp -49.35 -52.03 30.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 10.0 110.284 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.55 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 3.2 mmm-85 -53.87 -33.22 55.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.192 -0.943 . . . . 10.0 110.181 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.459 ' O ' ' OE1' ' B' ' 43' ' ' GLU . 0.1 OUTLIER -94.16 -25.99 16.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.276 -0.89 . . . . 10.0 110.089 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.633 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -77.04 -69.99 0.49 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.181 -0.949 . . . . 10.0 110.467 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.633 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.1 OUTLIER -16.86 118.88 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.249 0.547 . . . . 10.0 111.236 -178.669 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.001 -0.999 . . . . 10.0 110.165 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.498 ' O ' ' CD2' ' A' ' 1' ' ' HIS . 2.6 t-80 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.242 0.544 . . . . 10.0 110.219 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.445 ' O ' ' O ' ' A' ' 1' ' ' HIS . 24.7 mmt -46.76 173.98 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.183 -0.948 . . . . 10.0 110.199 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.41 171.69 25.7 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.624 -1.39 . . . . 10.0 109.624 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.577 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -165.04 101.72 0.76 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.226 -1.161 . . . . 10.0 110.19 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.08 HG22 HD11 ' A' ' 7' ' ' ILE . 2.3 mm -115.6 165.23 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.192 -0.942 . . . . 10.0 110.047 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.907 ' C ' HD13 ' A' ' 7' ' ' ILE . 2.5 mm-40 -118.73 84.07 2.13 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.181 -0.949 . . . . 10.0 110.789 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.08 HD11 HG22 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -142.42 165.02 29.57 Favored Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.203 -0.936 . . . . 10.0 109.712 179.404 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.881 ' HD2' HG22 ' A' ' 7' ' ' ILE . 43.8 Cg_endo -70.07 137.94 35.71 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 123.83 1.437 . . . . 10.0 110.511 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.74 160.62 47.53 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 O-C-N 123.969 1.51 . . . . 10.0 110.417 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.1 -32.38 4.93 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.343 -1.503 . . . . 10.0 109.343 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.442 HD23 HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -82.04 -34.17 29.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.334 -1.098 . . . . 10.0 110.171 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 13' ' ' GLU . 59.8 m -52.98 -73.18 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.263 -0.898 . . . . 10.0 110.278 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.3 tt0 -37.13 -42.54 0.44 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.559 -0.713 . . . . 10.0 110.252 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.537 HD23 ' CE1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -67.08 -60.58 2.5 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.201 -0.937 . . . . 10.0 110.107 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 16' ' ' GLN . 1.6 mp -67.73 -60.48 2.5 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 10.0 110.226 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -39.05 -44.43 1.12 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.874 . . . . 10.0 109.685 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.531 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -55.57 -63.62 5.12 Favored Glycine 0 N--CA 1.488 2.145 0 N-CA-C 108.627 -1.789 . . . . 10.0 108.627 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.832 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -43.82 -57.91 3.01 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.326 -1.102 . . . . 10.0 109.963 179.262 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.838 ' O ' HD12 ' A' ' 23' A LEU . 0.2 OUTLIER -45.23 -31.68 1.61 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.409 -0.807 . . . . 10.0 110.317 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 73.8 t -86.71 -24.84 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 10.0 110.432 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.588 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -89.12 -37.18 15.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.149 -0.969 . . . . 10.0 109.757 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 18' ' ' TYR . 2.4 t -75.17 -42.79 44.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.514 -0.741 . . . . 10.0 110.304 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.838 HD12 ' O ' ' A' ' 19' ' ' THR . 8.2 mt -76.61 -31.69 57.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.147 -0.971 . . . . 10.0 110.129 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -80.73 1.75 28.95 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.181 -0.95 . . . . 10.0 110.435 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.692 ' O ' ' C ' ' A' ' 26' ' ' GLN . 3.5 pt20 -165.58 23.79 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.119 -0.988 . . . . 10.0 110.542 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.692 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 2.82 78.62 0.04 OUTLIER Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 121.713 -0.617 . . . . 10.0 110.982 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.54 ' CD ' ' HA ' ' A' ' 22' ' ' VAL . 43.5 Cg_endo -70.05 126.28 12.95 Favored 'Trans proline' 0 C--N 1.303 -1.821 0 O-C-N 124.125 1.592 . . . . 10.0 110.771 -179.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.71 -5.18 15.56 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 124.009 1.531 . . . . 10.0 110.2 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.546 ' O ' ' C ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -114.32 27.82 9.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.422 -0.799 . . . . 10.0 109.906 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.546 ' C ' ' O ' ' A' ' 29' ' ' ASP . 13.9 tp -29.64 -68.79 0.07 Allowed 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.468 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.507 ' C ' ' O ' ' A' ' 30' ' ' LEU . 20.6 t -38.57 -61.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.275 -0.891 . . . . 10.0 109.346 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -59.76 -50.48 73.65 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.732 -0.605 . . . . 10.0 109.389 179.24 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -50.93 -52.04 46.19 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.28 -0.888 . . . . 10.0 109.307 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.759 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -53.05 -27.96 22.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.447 -0.783 . . . . 10.0 109.866 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.607 HG21 ' CA ' ' B' ' 39' ' ' THR . 4.4 t -85.94 -54.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.361 -0.837 . . . . 10.0 109.804 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.713 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 4.6 mm-40 -49.31 -34.65 16.11 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 10.0 110.017 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -77.54 -52.56 8.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.231 -0.918 . . . . 10.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.537 ' CE1' HD23 ' A' ' 14' ' ' LEU . 12.0 m-85 -72.36 -55.54 6.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.257 -0.902 . . . . 10.0 110.306 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.586 ' CA ' HG21 ' B' ' 35' ' ' VAL . 11.7 m -47.6 -49.81 25.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.173 -0.954 . . . . 10.0 110.072 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.713 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -65.81 -33.94 77.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.008 -1.057 . . . . 10.0 109.595 179.436 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.437 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -44.64 -56.28 4.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.347 -0.845 . . . . 10.0 110.302 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HD2' ' CG1' ' B' ' 31' ' ' VAL . 0.0 OUTLIER -50.48 -33.45 21.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.194 -0.941 . . . . 10.0 110.381 -179.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -109.63 1.83 19.86 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.198 -0.939 . . . . 10.0 110.453 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.656 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . -46.31 -81.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.161 -0.962 . . . . 10.0 110.183 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.649 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER 8.18 -121.58 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.274 -179.355 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 120.898 -1.126 . . . . 10.0 110.21 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.495 ' O ' ' CD2' ' B' ' 1' ' ' HIS . 2.6 t-80 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.242 0.544 . . . . 10.0 110.239 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . 0.451 ' O ' ' O ' ' B' ' 1' ' ' HIS . 24.4 mmt -46.59 173.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.225 -0.922 . . . . 10.0 110.155 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -144.24 171.28 25.74 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.547 -1.421 . . . . 10.0 109.547 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.591 ' C ' HD13 ' B' ' 5' ' ' ILE . 0.6 OUTLIER -164.76 101.91 0.79 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.183 -1.186 . . . . 10.0 110.162 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 1.077 HG22 HD11 ' B' ' 7' ' ' ILE . 2.3 mm -115.88 165.3 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.214 -0.929 . . . . 10.0 110.114 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.911 ' C ' HD13 ' B' ' 7' ' ' ILE . 2.5 mm-40 -118.9 84.06 2.13 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.143 -0.973 . . . . 10.0 110.793 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 1.077 HD11 HG22 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -142.39 165.13 28.94 Favored Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.163 -0.961 . . . . 10.0 109.851 179.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.874 ' HD2' HG22 ' B' ' 7' ' ' ILE . 44.9 Cg_endo -70.16 137.92 35.38 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 O-C-N 123.906 1.477 . . . . 10.0 110.539 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.65 160.39 48.33 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 O-C-N 124.008 1.53 . . . . 10.0 110.451 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.14 -32.4 4.93 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.381 -1.488 . . . . 10.0 109.381 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.442 HD23 HD22 ' B' ' 15' ' ' LEU . 0.1 OUTLIER -82.0 -32.85 30.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.272 -1.134 . . . . 10.0 110.223 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.484 ' O ' ' C ' ' B' ' 13' ' ' GLU . 60.0 m -54.09 -73.6 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -0.9 . . . . 10.0 110.384 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.4 tt0 -37.01 -42.82 0.43 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.498 -0.751 . . . . 10.0 110.322 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.542 HD23 ' CE1' ' B' ' 38' ' ' PHE . 0.0 OUTLIER -66.27 -60.76 2.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.383 -0.823 . . . . 10.0 110.108 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' B' ' 16' ' ' GLN . 1.5 mp -67.71 -60.62 2.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -0.896 . . . . 10.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' B' ' 15' ' ' LEU . 0.9 OUTLIER -38.97 -44.43 1.08 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.327 -0.858 . . . . 10.0 109.738 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -55.53 -63.6 5.14 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 108.617 -1.793 . . . . 10.0 108.617 179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.839 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.9 OUTLIER -43.82 -58.0 2.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.406 -1.055 . . . . 10.0 109.933 179.354 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.819 ' O ' HD12 ' B' ' 23' B LEU . 0.2 OUTLIER -45.18 -31.71 1.57 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.38 -0.825 . . . . 10.0 110.39 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' B' ' 24' ' ' ARG . 65.7 t -86.85 -24.48 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.911 . . . . 10.0 110.416 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.581 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -89.25 -36.87 15.36 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.139 -0.975 . . . . 10.0 109.823 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.839 HG23 ' O ' ' B' ' 18' ' ' TYR . 2.3 t -75.42 -42.78 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.477 -0.765 . . . . 10.0 110.32 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.819 HD12 ' O ' ' B' ' 19' ' ' THR . 9.2 mt -76.61 -31.68 57.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.125 -0.985 . . . . 10.0 110.173 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -80.8 1.56 30.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.233 -0.917 . . . . 10.0 110.486 -179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' B' ' 26' ' ' GLN . 3.4 pt20 -165.48 24.0 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.106 -0.996 . . . . 10.0 110.408 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.688 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 2.69 78.65 0.04 OUTLIER Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.682 -0.636 . . . . 10.0 111.02 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.547 ' CD ' ' HA ' ' B' ' 22' ' ' VAL . 43.9 Cg_endo -70.03 125.97 12.6 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.057 1.556 . . . . 10.0 110.866 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.37 -5.49 16.1 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 123.955 1.503 . . . . 10.0 110.19 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.547 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -114.18 27.68 9.31 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.342 -0.849 . . . . 10.0 109.881 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.547 ' C ' ' O ' ' B' ' 29' ' ' ASP . 14.0 tp -29.65 -68.42 0.07 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.465 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.504 ' C ' ' O ' ' B' ' 30' ' ' LEU . 21.2 t -38.83 -61.12 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.215 -0.928 . . . . 10.0 109.301 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 0.6 OUTLIER -59.84 -50.51 73.5 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 109.409 -0.589 . . . . 10.0 109.409 179.286 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -50.65 -52.11 42.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.318 -0.864 . . . . 10.0 109.381 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.758 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -52.91 -28.37 23.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.409 -0.807 . . . . 10.0 109.885 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.586 HG21 ' CA ' ' A' ' 39' ' ' THR . 4.0 t -85.62 -54.48 8.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.474 -0.766 . . . . 10.0 109.71 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.702 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 4.5 mm-40 -49.88 -35.17 22.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 10.0 109.967 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -77.02 -52.07 9.99 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.104 -0.997 . . . . 10.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.542 ' CE1' HD23 ' B' ' 14' ' ' LEU . 12.4 m-85 -72.92 -55.75 6.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.227 -0.921 . . . . 10.0 110.318 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.607 ' CA ' HG21 ' A' ' 35' ' ' VAL . 15.1 m -47.1 -50.11 20.59 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.107 -0.996 . . . . 10.0 110.112 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.702 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.1 OUTLIER -65.53 -35.03 79.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.928 -1.108 . . . . 10.0 109.531 179.496 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.443 ' HA ' ' HB2' ' B' ' 44' ' ' ALA . 0.1 OUTLIER -43.41 -56.5 3.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 10.0 110.331 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.497 ' NE ' ' HB2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -50.43 -33.14 19.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.227 -0.921 . . . . 10.0 110.357 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -109.95 1.7 19.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.199 -0.938 . . . . 10.0 110.412 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' B' ' 40' ' ' ARG . . . -46.31 -80.9 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.172 -0.955 . . . . 10.0 110.243 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.646 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER 8.05 -121.34 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.31 -179.373 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 120.92 -1.112 . . . . 10.0 110.151 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 62.9 m170 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.277 0.56 . . . . 10.0 110.332 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.0 mmt -45.31 -40.53 7.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 10.0 110.183 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.32 -151.1 46.36 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.632 -1.387 . . . . 10.0 109.632 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.55 168.54 18.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.342 -1.093 . . . . 10.0 110.257 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 mp -121.21 132.26 71.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.271 -0.893 . . . . 10.0 110.13 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -151.15 92.92 1.85 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.207 -0.933 . . . . 10.0 110.203 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.0 114.49 12.63 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.225 -0.922 . . . . 10.0 110.128 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -71.29 127.07 12.94 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 O-C-N 123.975 1.513 . . . . 10.0 110.721 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.79 -168.71 0.48 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 123.893 1.47 . . . . 10.0 110.4 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.85 -45.06 3.35 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.496 -1.442 . . . . 10.0 109.496 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 17.2 tp -60.39 -24.32 65.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -1.168 . . . . 10.0 110.134 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 20.2 m -39.82 -72.03 0.07 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.91 . . . . 10.0 110.101 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.8 mm-40 -34.25 -48.32 0.33 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.536 -0.727 . . . . 10.0 110.595 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 1.2 mp -60.62 -77.98 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.242 -0.911 . . . . 10.0 110.098 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.6 mp -44.01 -51.16 7.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -0.916 . . . . 10.0 109.934 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.54 ' HB2' ' O ' ' A' ' 12' ' ' THR . 1.4 tt0 -48.03 -48.29 33.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.18 -0.95 . . . . 10.0 109.565 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.532 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -48.51 -54.6 12.79 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.925 -1.67 . . . . 10.0 108.925 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.906 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -40.58 -57.0 1.96 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.438 -1.036 . . . . 10.0 109.864 179.553 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.53 ' O ' ' HB2' ' A' ' 23' A LEU . 0.7 OUTLIER -48.48 -50.06 33.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.334 -0.854 . . . . 10.0 109.665 179.649 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.509 ' N ' HG22 ' A' ' 19' ' ' THR . 16.5 t -59.5 -27.84 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.275 -0.891 . . . . 10.0 110.414 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -88.52 -50.79 6.07 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.25 -0.906 . . . . 10.0 109.77 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 18' ' ' TYR . 3.3 t -57.8 -36.29 54.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.503 -0.748 . . . . 10.0 109.905 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.53 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.4 OUTLIER -72.61 -42.03 64.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 10.0 109.66 179.407 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -77.93 -44.81 25.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 10.0 110.082 179.726 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 10.0 mm100 -81.53 -31.69 32.66 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.147 -0.971 . . . . 10.0 110.194 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 42.21 56.51 10.26 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.368 -0.832 . . . . 10.0 110.348 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.456 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -70.29 159.66 52.25 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 124.023 1.538 . . . . 10.0 110.556 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.93 -33.67 15.49 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 O-C-N 124.006 1.529 . . . . 10.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -137.94 132.06 31.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.937 . . . . 10.0 110.092 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.544 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.4 OUTLIER -77.84 -47.04 19.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.204 -0.935 . . . . 10.0 110.1 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.544 ' C ' ' O ' ' A' ' 30' ' ' LEU . 11.2 t -30.6 -68.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.637 -0.665 . . . . 10.0 110.386 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.521 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -52.44 -50.46 62.54 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.399 -0.813 . . . . 10.0 109.666 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.521 ' N ' ' CG ' ' A' ' 32' ' ' ASP . 0.9 OUTLIER -51.92 -66.78 0.33 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.172 -0.955 . . . . 10.0 108.82 178.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.834 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -39.69 -30.56 0.08 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.681 -0.637 . . . . 10.0 109.929 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.678 HG23 ' HB3' ' B' ' 38' ' ' PHE . 6.9 t -84.15 -60.03 2.45 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 O-C-N 121.19 -0.944 . . . . 10.0 110.119 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -50.04 -35.74 26.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.304 -0.873 . . . . 10.0 110.07 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.444 ' HB2' ' HE1' ' A' ' 33' ' ' PHE . 14.6 t80 -77.37 -63.85 1.28 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.862 . . . . 10.0 110.606 -179.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.681 ' HB3' HG23 ' B' ' 35' ' ' VAL . 10.7 m-85 -58.29 -45.73 87.4 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 10.0 110.397 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 15.9 m -52.99 -45.66 67.93 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.001 -1.062 . . . . 10.0 109.933 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -68.32 -29.62 68.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 10.0 110.053 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.402 HD12 ' CZ ' ' A' ' 37' ' ' TYR . 1.1 mt -77.51 -27.53 51.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.369 -0.832 . . . . 10.0 110.111 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.462 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.31 -45.31 73.33 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.31 -0.869 . . . . 10.0 109.793 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 2.8 mp0 -67.85 -11.41 58.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 10.0 110.135 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.709 ' O ' ' O ' ' A' ' 45' ' ' ARG . . . -73.87 -71.83 0.3 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.258 -0.901 . . . . 10.0 110.75 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.709 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -23.11 -114.55 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.156 0.503 . . . . 10.0 111.949 -178.558 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.564 ' CD ' ' O ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 O-C-N 120.943 -1.098 . . . . 10.0 110.253 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 62.7 m170 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.168 0.509 . . . . 10.0 110.171 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 8.4 mmt -45.11 -40.71 7.18 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.286 -0.884 . . . . 10.0 110.175 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.43 -150.39 45.13 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.522 -1.431 . . . . 10.0 109.522 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.09 168.24 18.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.273 -1.134 . . . . 10.0 110.207 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 mp -121.07 131.73 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.306 -0.871 . . . . 10.0 110.094 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -150.4 92.56 1.88 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 10.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.5 114.5 12.15 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.242 -0.911 . . . . 10.0 110.158 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -71.22 127.01 12.91 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 123.997 1.525 . . . . 10.0 110.661 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -73.78 -168.86 0.49 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 O-C-N 123.976 1.514 . . . . 10.0 110.412 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.95 -44.94 3.34 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.529 -1.428 . . . . 10.0 109.529 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' B' ' 12' ' ' THR . 18.3 tp -60.55 -24.19 65.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.19 -1.182 . . . . 10.0 110.174 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 20.1 m -39.83 -72.24 0.07 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 10.0 110.148 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.503 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.8 mm-40 -34.18 -48.63 0.33 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.657 -0.652 . . . . 10.0 110.502 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 1.3 mp -60.21 -78.42 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.272 -0.893 . . . . 10.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' B' ' 14' ' ' LEU . 2.6 mp -43.58 -50.88 7.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.949 . . . . 10.0 109.929 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' B' ' 12' ' ' THR . 1.3 tt0 -48.1 -48.97 33.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.178 -0.951 . . . . 10.0 109.503 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.529 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -47.83 -54.28 11.92 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.922 -1.671 . . . . 10.0 108.922 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.915 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.3 OUTLIER -41.24 -56.06 2.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.399 -1.059 . . . . 10.0 109.794 179.503 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.533 ' O ' ' HB2' ' B' ' 23' B LEU . 0.8 OUTLIER -49.49 -46.3 48.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.388 -0.82 . . . . 10.0 109.74 179.538 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 16.4 t -64.09 -26.7 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.288 -0.883 . . . . 10.0 110.336 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.529 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -89.37 -50.41 6.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.139 -0.975 . . . . 10.0 109.644 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.915 HG23 ' O ' ' B' ' 18' ' ' TYR . 3.4 t -57.68 -36.05 53.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.547 -0.72 . . . . 10.0 109.892 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.533 ' HB2' ' O ' ' B' ' 19' ' ' THR . 0.4 OUTLIER -73.09 -42.68 62.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.201 -0.937 . . . . 10.0 109.707 179.476 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -77.09 -44.4 30.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.398 -0.814 . . . . 10.0 110.025 179.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' B' ' 21' ' ' GLU . 9.9 mm100 -82.13 -31.32 30.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 10.0 110.256 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 42.0 56.54 9.95 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.307 -0.87 . . . . 10.0 110.38 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.457 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 43.6 Cg_endo -70.11 159.05 54.51 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 123.991 1.521 . . . . 10.0 110.588 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.79 -33.04 17.28 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 O-C-N 124.052 1.554 . . . . 10.0 110.591 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -138.54 131.45 29.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.21 -0.931 . . . . 10.0 110.139 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.545 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.4 OUTLIER -77.38 -46.77 21.72 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.249 -0.907 . . . . 10.0 110.192 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.545 ' C ' ' O ' ' B' ' 30' ' ' LEU . 11.5 t -30.87 -68.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.633 -0.667 . . . . 10.0 110.439 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.521 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -51.95 -50.82 60.44 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.427 -0.796 . . . . 10.0 109.593 179.769 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.521 ' N ' ' CG ' ' B' ' 32' ' ' ASP . 0.9 OUTLIER -51.48 -66.71 0.34 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.172 -0.955 . . . . 10.0 108.904 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.821 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -39.72 -30.98 0.09 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.65 -0.656 . . . . 10.0 109.926 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.681 HG23 ' HB3' ' A' ' 38' ' ' PHE . 6.8 t -83.67 -59.44 2.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.177 -0.952 . . . . 10.0 109.971 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 0.0 OUTLIER -50.98 -35.99 36.72 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.3 -0.875 . . . . 10.0 110.204 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.458 ' HB2' ' HE1' ' B' ' 33' ' ' PHE . 14.2 t80 -77.09 -63.04 1.46 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 10.0 110.534 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.678 ' HB3' HG23 ' A' ' 35' ' ' VAL . 11.0 m-85 -59.1 -44.9 91.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.194 -0.941 . . . . 10.0 110.465 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.564 ' HA ' HG21 ' A' ' 35' ' ' VAL . 14.4 m -53.06 -45.6 68.18 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.951 -1.093 . . . . 10.0 109.881 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -68.49 -29.84 68.54 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.349 -0.845 . . . . 10.0 110.176 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' B' ' 44' ' ' ALA . 1.1 mt -77.48 -27.75 52.06 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 10.0 110.17 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -68.17 -45.48 73.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.338 -0.851 . . . . 10.0 109.756 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' B' ' 42' ' ' ARG . 2.9 mp0 -67.64 -11.41 58.14 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.28 -0.887 . . . . 10.0 110.182 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.705 ' O ' ' O ' ' B' ' 45' ' ' ARG . . . -74.12 -71.92 0.3 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.254 -0.904 . . . . 10.0 110.66 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.705 ' O ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -22.81 -114.43 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.207 0.527 . . . . 10.0 111.892 -178.522 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.569 ' CD ' ' O ' ' B' ' 45' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.715 0 O-C-N 120.945 -1.097 . . . . 10.0 110.103 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 51.6 m80 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.236 0.541 . . . . 10.0 110.234 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.454 ' O ' HG22 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -144.44 9.93 1.42 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.244 -0.91 . . . . 10.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.1 -11.77 46.73 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.411 -1.476 . . . . 10.0 109.411 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -118.41 37.17 4.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.28 -1.13 . . . . 10.0 110.231 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.694 HD13 ' O ' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -137.67 32.93 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.217 -0.927 . . . . 10.0 110.034 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.718 ' H ' HD13 ' A' ' 7' ' ' ILE . 44.1 mt-30 -158.71 55.86 0.43 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.255 -0.903 . . . . 10.0 110.638 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.78 ' N ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -121.28 37.06 0.28 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.159 -0.963 . . . . 10.0 110.7 179.44 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.71 ' CD ' ' N ' ' A' ' 7' ' ' ILE . 50.3 Cg_endo -73.37 139.64 29.17 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 O-C-N 123.801 1.421 . . . . 10.0 110.597 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.516 ' O ' ' N ' ' A' ' 11' ' ' LEU . 51.4 Cg_endo -80.74 118.42 3.47 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 123.969 1.51 . . . . 10.0 111.536 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.571 ' O ' HD12 ' A' ' 14' ' ' LEU . . . 46.3 13.98 0.09 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.163 -1.175 . . . . 10.0 110.163 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.96 HD22 HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -85.68 -40.55 16.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.992 -1.299 . . . . 10.0 110.078 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' LEU . 6.8 m -44.42 -38.34 3.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 10.0 109.95 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -51.92 61.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.414 -0.804 . . . . 10.0 109.8 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 10' ' ' GLY . 2.1 mp -62.17 -41.49 98.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.304 -0.872 . . . . 10.0 109.835 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.96 HD13 HD22 ' A' ' 11' ' ' LEU . 1.2 mp -63.15 -53.61 50.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.302 -0.873 . . . . 10.0 110.009 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -39.75 -63.66 0.56 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 10.0 109.707 179.768 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -48.14 -54.54 12.09 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 108.604 -1.798 . . . . 10.0 108.604 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.931 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -38.2 -62.66 0.55 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.509 -0.995 . . . . 10.0 110.488 179.635 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.07 -33.98 20.18 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.39 -0.819 . . . . 10.0 110.209 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 85.8 t -77.85 -17.19 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.237 -0.915 . . . . 10.0 110.558 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG3' ' CA ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -94.17 -39.05 10.76 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.137 -0.977 . . . . 10.0 110.058 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.9 t -68.18 -31.53 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.401 -0.812 . . . . 10.0 110.126 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.728 HD11 HG12 ' B' ' 7' ' ' ILE . 0.3 OUTLIER -90.41 -32.86 16.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 10.0 110.338 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.557 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -75.69 -68.53 0.56 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.046 -1.034 . . . . 10.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -76.04 -19.74 58.37 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.403 -0.811 . . . . 10.0 110.213 -179.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER 43.14 74.31 0.8 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.183 -0.948 . . . . 10.0 109.953 -179.742 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.26 162.5 41.56 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.101 1.58 . . . . 10.0 110.681 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.51 -55.42 0.19 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 O-C-N 124.017 1.535 . . . . 10.0 110.344 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.472 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 5.5 m-20 -116.38 123.57 47.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.328 -0.858 . . . . 10.0 109.999 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.659 HD23 HG13 ' A' ' 22' ' ' VAL . 1.3 tm? -72.19 -59.27 2.82 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.259 -0.901 . . . . 10.0 110.258 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.533 ' C ' ' O ' ' A' ' 30' ' ' LEU . 21.8 t -34.48 -66.75 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.324 -0.86 . . . . 10.0 110.043 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -51.07 -42.83 60.84 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.6 -0.688 . . . . 10.0 109.872 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.495 ' HB3' ' O ' ' A' ' 30' ' ' LEU . 34.3 t80 -58.63 -51.47 69.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.168 -0.958 . . . . 10.0 109.484 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.931 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -49.79 -36.8 27.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.339 -0.851 . . . . 10.0 109.597 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.565 ' HA ' HG22 ' B' ' 35' ' ' VAL . 4.9 t -82.21 -57.21 4.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.565 -0.71 . . . . 10.0 110.125 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 3.4 mm-40 -50.2 -42.25 51.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -0.936 . . . . 10.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.407 ' CE2' ' OE2' ' A' ' 21' ' ' GLU . 17.6 t80 -72.01 -65.31 0.79 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.255 -0.903 . . . . 10.0 110.433 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 16.2 m-85 -56.61 -37.93 71.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.146 -0.971 . . . . 10.0 110.471 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.581 ' CA ' HG21 ' B' ' 35' ' ' VAL . 24.1 m -55.29 -41.32 72.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.097 -1.002 . . . . 10.0 110.047 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -71.91 -28.87 63.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.336 -0.852 . . . . 10.0 110.435 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -64.66 -40.75 95.97 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.214 -0.929 . . . . 10.0 110.323 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -14.12 5.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.221 -0.924 . . . . 10.0 110.232 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -109.51 11.99 24.66 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.937 . . . . 10.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.577 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -127.04 -72.31 0.65 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.177 -0.952 . . . . 10.0 110.597 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -26.16 120.68 0.08 Allowed 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.298 0.57 . . . . 10.0 111.113 -178.633 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.994 -1.003 . . . . 10.0 110.17 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 52.3 m80 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.29 0.566 . . . . 10.0 110.222 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . 0.449 ' O ' HG22 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -144.5 10.2 1.42 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.206 -0.934 . . . . 10.0 110.261 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.28 -11.56 47.01 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.514 -1.434 . . . . 10.0 109.514 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -118.48 36.92 4.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.237 -1.155 . . . . 10.0 110.238 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.69 HD13 ' O ' ' B' ' 5' ' ' ILE . 0.0 OUTLIER -137.33 32.83 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.251 -0.906 . . . . 10.0 110.03 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.723 ' H ' HD13 ' B' ' 7' ' ' ILE . 44.8 mt-30 -158.45 55.86 0.45 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.247 -0.908 . . . . 10.0 110.615 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.788 ' N ' HD13 ' B' ' 7' ' ' ILE . 0.0 OUTLIER -121.3 37.23 0.29 Allowed Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.112 -0.993 . . . . 10.0 110.726 179.417 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' B' ' 7' ' ' ILE . 49.7 Cg_endo -73.51 139.87 29.12 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 O-C-N 123.799 1.42 . . . . 10.0 110.565 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' B' ' 11' ' ' LEU . 52.0 Cg_endo -80.79 118.44 3.45 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 O-C-N 123.849 1.447 . . . . 10.0 111.52 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.575 ' O ' HD12 ' B' ' 14' ' ' LEU . . . 46.28 13.85 0.08 OUTLIER Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.3 -1.12 . . . . 10.0 110.3 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.977 HD22 HD13 ' B' ' 15' ' ' LEU . 0.2 OUTLIER -85.62 -40.06 16.63 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.928 -1.337 . . . . 10.0 110.161 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.409 ' C ' ' O ' ' B' ' 11' ' ' LEU . 7.0 m -44.77 -37.96 4.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 10.0 109.969 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -52.11 59.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.408 -0.807 . . . . 10.0 109.835 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.575 HD12 ' O ' ' B' ' 10' ' ' GLY . 2.2 mp -61.91 -41.87 98.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.413 -0.804 . . . . 10.0 109.848 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.977 HD13 HD22 ' B' ' 11' ' ' LEU . 1.2 mp -62.91 -53.2 57.86 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.33 -0.856 . . . . 10.0 110.05 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' B' ' 15' ' ' LEU . 0.6 OUTLIER -39.94 -63.66 0.58 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 10.0 109.675 179.663 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.52 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -48.12 -54.59 11.9 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 108.616 -1.794 . . . . 10.0 108.616 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.942 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 1.0 OUTLIER -37.97 -62.84 0.52 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.509 -0.995 . . . . 10.0 110.457 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -34.04 19.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.413 -0.804 . . . . 10.0 110.221 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.556 ' O ' ' HB3' ' B' ' 24' ' ' ARG . 81.1 t -77.99 -16.99 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.27 -0.894 . . . . 10.0 110.523 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.581 ' HG3' ' CA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -94.27 -38.89 10.8 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.14 -0.975 . . . . 10.0 110.032 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.86 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.9 t -68.35 -31.35 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.806 . . . . 10.0 110.08 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.701 HD11 HG12 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -90.35 -33.64 15.99 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.136 -0.977 . . . . 10.0 110.414 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.556 ' HB3' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -75.35 -68.35 0.57 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.137 -0.977 . . . . 10.0 110.416 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -75.74 -20.14 58.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.366 -0.834 . . . . 10.0 110.22 -179.686 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 0.0 OUTLIER 43.13 74.23 0.81 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.242 -0.911 . . . . 10.0 109.853 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.35 162.58 41.28 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.13 1.595 . . . . 10.0 110.687 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -69.42 -55.31 0.19 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 O-C-N 124.08 1.569 . . . . 10.0 110.34 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.47 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 5.4 m-20 -116.53 123.51 47.6 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.326 -0.859 . . . . 10.0 109.968 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.655 HD23 HG13 ' B' ' 22' ' ' VAL . 1.3 tm? -72.3 -59.07 2.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 10.0 110.323 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.534 ' C ' ' O ' ' B' ' 30' ' ' LEU . 21.7 t -34.32 -66.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.294 -0.879 . . . . 10.0 110.006 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.47 ' OD1' ' O ' ' B' ' 29' ' ' ASP . 0.0 OUTLIER -51.05 -42.95 60.85 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.642 -0.661 . . . . 10.0 109.933 179.726 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.491 ' HB3' ' O ' ' B' ' 30' ' ' LEU . 34.6 t80 -58.58 -51.66 68.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.035 -1.041 . . . . 10.0 109.374 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.942 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -49.62 -37.02 26.27 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.247 -0.908 . . . . 10.0 109.496 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.581 HG21 ' CA ' ' A' ' 39' ' ' THR . 5.1 t -82.16 -57.03 5.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.507 -0.746 . . . . 10.0 110.156 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.498 ' O ' ' HD2' ' B' ' 40' ' ' ARG . 3.2 mm-40 -50.32 -42.28 52.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 10.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.411 ' CE2' ' OE2' ' B' ' 21' ' ' GLU . 17.5 t80 -71.93 -65.08 0.81 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.242 -0.911 . . . . 10.0 110.361 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.506 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 16.0 m-85 -56.85 -38.54 72.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.183 -0.948 . . . . 10.0 110.461 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.559 ' CA ' HG21 ' A' ' 35' ' ' VAL . 27.4 m -54.63 -41.32 69.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.066 -1.021 . . . . 10.0 110.048 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.498 ' HD2' ' O ' ' B' ' 36' ' ' GLU . 0.8 OUTLIER -71.69 -29.81 64.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 10.0 110.528 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' B' ' 45' ' ' ARG . 0.7 OUTLIER -63.92 -40.35 96.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.162 -0.961 . . . . 10.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -13.92 5.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.16 -0.962 . . . . 10.0 110.281 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -109.81 11.81 24.21 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.226 -0.921 . . . . 10.0 110.31 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.577 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -126.56 -72.07 0.66 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.308 -0.87 . . . . 10.0 110.651 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.2 OUTLIER -26.25 121.02 0.08 Allowed 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 121.286 0.565 . . . . 10.0 111.001 -178.668 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 117.925 -1.036 . . . . 10.0 110.19 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.187 0.518 . . . . 10.0 110.183 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.463 ' O ' ' O ' ' A' ' 1' ' ' HIS . 2.7 mtt 46.78 97.93 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.327 -0.858 . . . . 10.0 110.257 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.64 -4.69 4.39 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.53 -1.428 . . . . 10.0 109.53 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 4' ' ' HIS . 11.4 t60 -150.3 28.62 0.73 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -1.17 . . . . 10.0 110.063 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.561 HG22 ' H ' ' A' ' 6' ' ' GLN . 10.7 mm -110.09 178.45 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.91 . . . . 10.0 110.193 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.879 ' HB3' HD12 ' B' ' 23' B LEU . 0.0 OUTLIER -109.88 -155.82 0.57 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.913 . . . . 10.0 110.26 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.1 mm -106.63 76.1 0.41 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.169 -0.957 . . . . 10.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.869 ' HB2' ' HB3' ' A' ' 11' ' ' LEU . 44.2 Cg_endo -70.48 116.31 4.58 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 O-C-N 124.138 1.599 . . . . 10.0 110.561 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.555 ' O ' ' N ' ' A' ' 11' ' ' LEU . 51.3 Cg_endo -77.0 119.3 5.03 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 O-C-N 123.947 1.498 . . . . 10.0 111.519 -179.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 42.93 18.71 0.05 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.778 -1.329 . . . . 10.0 109.778 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.869 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . 2.1 tp -72.11 -48.65 42.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.123 -1.222 . . . . 10.0 110.101 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.547 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 1.2 m -55.47 -26.7 43.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.317 -0.864 . . . . 10.0 110.056 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -73.02 -65.42 0.8 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.91 . . . . 10.0 110.355 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.8 HD21 HG22 ' B' ' 31' ' ' VAL . 1.7 mp -53.88 -38.72 65.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.267 -0.896 . . . . 10.0 110.32 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 1.2 mp -66.43 -52.84 42.25 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.178 -0.951 . . . . 10.0 110.12 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -43.48 -48.8 7.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.136 -0.977 . . . . 10.0 109.65 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.547 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -52.97 -59.59 9.18 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.027 -1.629 . . . . 10.0 109.027 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.851 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -42.13 -50.1 4.8 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.356 -1.084 . . . . 10.0 109.943 179.715 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.766 ' O ' HD23 ' A' ' 23' A LEU . 1.0 OUTLIER -58.73 -28.36 65.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.323 -0.86 . . . . 10.0 109.721 179.701 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.583 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 58.1 t -86.45 -19.33 8.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 120.961 -1.087 . . . . 10.0 110.19 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' O ' ' CG ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -95.05 -47.37 6.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.046 -1.034 . . . . 10.0 109.115 179.397 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.75 HG13 HD21 ' A' ' 30' ' ' LEU . 48.3 t -61.28 -39.58 83.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.72 -0.613 . . . . 10.0 109.934 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.87 HD12 ' HB3' ' B' ' 6' ' ' GLN . 3.0 mm? -86.26 -29.17 23.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.907 . . . . 10.0 110.253 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.583 ' CB ' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -102.49 29.13 5.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.146 -0.971 . . . . 10.0 110.245 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.656 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -178.53 27.72 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.156 -0.965 . . . . 10.0 110.352 179.806 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.656 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -12.85 87.32 0.03 OUTLIER Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 121.547 -0.721 . . . . 10.0 111.097 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.556 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.5 Cg_endo -69.49 166.58 26.79 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.072 1.564 . . . . 10.0 110.752 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.459 ' O ' ' OD1' ' A' ' 29' ' ' ASP . 43.4 Cg_endo -69.59 -32.49 19.15 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 O-C-N 124.04 1.547 . . . . 10.0 110.559 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 33' ' ' PHE . 1.1 m-20 -143.61 130.92 20.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.214 -0.929 . . . . 10.0 110.233 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.75 HD21 HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -77.17 -70.05 0.49 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.232 -0.918 . . . . 10.0 110.118 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.829 HG22 HD21 ' B' ' 14' ' ' LEU . 18.9 t -37.46 -64.24 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.273 -0.892 . . . . 10.0 109.427 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.521 ' N ' ' HD2' ' B' ' 42' ' ' ARG . 5.0 t0 -52.08 -44.44 64.34 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.67 -0.643 . . . . 10.0 109.454 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -56.21 -59.54 4.78 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -0.929 . . . . 10.0 108.955 178.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.851 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -46.68 -30.57 2.42 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 119.823 -0.751 . . . . 10.0 109.164 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.607 ' O ' ' HB ' ' A' ' 39' ' ' THR . 2.9 t -81.68 -62.09 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.413 -0.805 . . . . 10.0 109.952 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.463 ' HG2' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -46.73 -39.87 12.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.44 -0.788 . . . . 10.0 110.406 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.463 ' N ' ' HG2' ' A' ' 36' ' ' GLU . 74.7 t80 -76.82 -62.01 1.78 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.247 -0.908 . . . . 10.0 110.611 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.606 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 17.7 m-85 -57.77 -44.43 86.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.16 -0.963 . . . . 10.0 110.38 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.607 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 2.4 m -57.29 -48.79 78.02 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.07 -1.019 . . . . 10.0 109.646 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -66.81 -38.17 85.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.363 -0.836 . . . . 10.0 110.15 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -51.78 -42.36 62.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.221 -0.925 . . . . 10.0 109.9 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' B' ' 32' ' ' ASP . 1.8 mmp_? -54.23 -19.96 6.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 10.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.494 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -112.33 -4.18 14.37 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.252 -0.905 . . . . 10.0 109.985 -179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -38.38 -73.0 0.05 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.196 -0.94 . . . . 10.0 110.569 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' C ' ' O ' ' A' ' 44' ' ' ALA . 9.0 tpt180 -33.7 128.59 0.34 Allowed 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.285 0.564 . . . . 10.0 110.482 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.011 -0.995 . . . . 10.0 110.103 -179.755 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.468 ' O ' ' O ' ' B' ' 2' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.285 0.564 . . . . 10.0 110.219 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . 0.468 ' O ' ' O ' ' B' ' 1' ' ' HIS . 2.7 mtt 46.68 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.215 -0.928 . . . . 10.0 110.272 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.87 -4.52 4.28 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.495 -1.442 . . . . 10.0 109.495 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.575 ' CG ' ' O ' ' B' ' 4' ' ' HIS . 11.2 t60 -150.71 29.04 0.69 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.197 -1.178 . . . . 10.0 110.166 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.561 HG22 ' H ' ' B' ' 6' ' ' GLN . 10.7 mm -110.5 178.66 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.334 -0.854 . . . . 10.0 110.121 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.87 ' HB3' HD12 ' A' ' 23' A LEU . 0.0 OUTLIER -109.99 -155.85 0.57 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.276 -0.89 . . . . 10.0 110.22 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 42.6 mm -106.66 76.17 0.42 Allowed Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.171 -0.955 . . . . 10.0 110.334 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.867 ' HB2' ' HB3' ' B' ' 11' ' ' LEU . 44.1 Cg_endo -70.41 116.15 4.5 Favored 'Trans proline' 0 C--N 1.303 -1.829 0 O-C-N 124.127 1.593 . . . . 10.0 110.599 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.551 ' O ' ' N ' ' B' ' 11' ' ' LEU . 51.2 Cg_endo -76.98 119.13 4.98 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 123.951 1.5 . . . . 10.0 111.475 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 42.99 18.57 0.05 OUTLIER Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.86 -1.296 . . . . 10.0 109.86 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.867 ' HB3' ' HB2' ' B' ' 8' ' ' PRO . 2.1 tp -71.88 -49.02 41.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.087 -1.243 . . . . 10.0 110.027 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.547 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 1.3 m -55.2 -26.48 39.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.302 -0.874 . . . . 10.0 110.17 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -73.39 -65.25 0.84 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.31 -0.869 . . . . 10.0 110.276 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.829 HD21 HG22 ' A' ' 31' ' ' VAL . 1.8 mp -54.17 -38.36 65.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 10.0 110.41 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' B' ' 11' ' ' LEU . 1.2 mp -66.64 -52.86 40.29 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.16 -0.963 . . . . 10.0 110.157 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -43.59 -48.91 7.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.095 -1.003 . . . . 10.0 109.681 179.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.545 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -52.65 -59.71 8.84 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.966 -1.654 . . . . 10.0 108.966 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.84 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.3 OUTLIER -41.92 -50.58 4.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.376 -1.073 . . . . 10.0 109.989 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.756 ' O ' HD23 ' B' ' 23' B LEU . 1.0 OUTLIER -58.38 -28.45 65.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.286 -0.884 . . . . 10.0 109.73 179.646 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.594 ' O ' ' CB ' ' B' ' 24' ' ' ARG . 60.6 t -86.28 -19.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 120.903 -1.123 . . . . 10.0 110.174 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.557 ' O ' ' CG ' ' B' ' 25' ' ' GLN . 0.2 OUTLIER -95.01 -47.49 6.38 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.081 -1.012 . . . . 10.0 109.098 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.738 HG13 HD21 ' B' ' 30' ' ' LEU . 48.9 t -61.05 -39.84 83.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.68 -0.638 . . . . 10.0 110.028 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.879 HD12 ' HB3' ' A' ' 6' ' ' GLN . 2.8 mm? -86.5 -28.61 23.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 10.0 110.292 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.594 ' CB ' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -102.77 28.93 5.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.238 -0.914 . . . . 10.0 110.26 179.796 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.657 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -178.28 27.85 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.201 -0.937 . . . . 10.0 110.244 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.657 ' C ' ' O ' ' B' ' 25' ' ' GLN . 1.0 OUTLIER -12.96 87.43 0.03 OUTLIER Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.566 -0.708 . . . . 10.0 111.086 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.558 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 43.1 Cg_endo -69.6 166.53 27.1 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 O-C-N 124.101 1.579 . . . . 10.0 110.73 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.457 ' O ' ' OD1' ' B' ' 29' ' ' ASP . 43.1 Cg_endo -69.57 -32.96 18.29 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 O-C-N 124.034 1.544 . . . . 10.0 110.633 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' B' ' 33' ' ' PHE . 1.1 m-20 -143.21 131.12 21.59 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.19 -0.944 . . . . 10.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.738 HD21 HG13 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -77.12 -70.24 0.48 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.217 -0.927 . . . . 10.0 110.154 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.8 HG22 HD21 ' A' ' 14' ' ' LEU . 21.0 t -37.35 -64.23 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.135 -0.978 . . . . 10.0 109.386 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 5.0 t0 -51.98 -44.64 64.12 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.753 -0.592 . . . . 10.0 109.429 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' B' ' 33' ' ' PHE . 0.6 OUTLIER -56.06 -59.82 4.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.273 -0.892 . . . . 10.0 108.913 179.025 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.84 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -46.75 -30.36 2.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.393 -0.817 . . . . 10.0 109.245 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.606 ' O ' ' HB ' ' B' ' 39' ' ' THR . 2.9 t -81.65 -62.1 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.397 -0.814 . . . . 10.0 109.902 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -46.92 -40.13 13.58 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.358 -0.839 . . . . 10.0 110.386 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.471 ' N ' ' HG2' ' B' ' 36' ' ' GLU . 75.0 t80 -76.43 -62.41 1.63 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 10.0 110.555 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' B' ' 34' ' ' ALA . 17.8 m-85 -57.42 -43.99 84.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.121 -0.987 . . . . 10.0 110.374 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.606 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 2.4 m -57.56 -49.52 76.11 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.864 -1.148 . . . . 10.0 109.608 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -66.05 -38.85 89.38 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.395 -0.816 . . . . 10.0 110.258 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' B' ' 41' ' ' LEU . 0.0 OUTLIER -51.23 -41.94 60.66 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.2 -0.937 . . . . 10.0 109.914 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.521 ' HD2' ' N ' ' A' ' 32' ' ' ASP . 1.7 mmp_? -54.69 -20.28 7.93 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.138 -0.976 . . . . 10.0 110.282 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.497 ' O ' ' OE2' ' B' ' 43' ' ' GLU . 0.6 OUTLIER -111.89 -4.02 14.7 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.345 -0.847 . . . . 10.0 109.948 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.523 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -38.42 -73.13 0.05 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.239 -0.913 . . . . 10.0 110.552 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.523 ' C ' ' O ' ' B' ' 44' ' ' ALA . 9.0 tpt180 -33.99 128.65 0.37 Allowed 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 120.308 -0.557 . . . . 10.0 110.454 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.007 -0.997 . . . . 10.0 110.183 -179.717 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.23 0.538 . . . . 10.0 110.207 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.8 ptm -99.48 36.7 1.71 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 10.0 110.202 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.22 -161.92 29.3 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.47 -1.452 . . . . 10.0 109.47 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.487 ' CD2' ' C ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -130.09 -168.86 2.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -1.128 . . . . 10.0 110.335 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 5' ' ' ILE . 28.5 mm -121.92 95.27 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.213 -0.929 . . . . 10.0 110.07 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.432 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.1 mm-40 -143.38 153.67 42.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.229 -0.919 . . . . 10.0 110.388 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.643 HG23 ' HG ' ' B' ' 23' B LEU . 32.3 mm -108.34 81.43 1.34 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.177 -0.952 . . . . 10.0 110.075 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 6' ' ' GLN . 45.2 Cg_endo -70.41 131.49 20.42 Favored 'Trans proline' 0 C--N 1.303 -1.822 0 O-C-N 123.995 1.524 . . . . 10.0 110.638 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.86 166.7 29.27 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 O-C-N 124.087 1.572 . . . . 10.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 14' ' ' LEU . . . 126.21 -23.74 5.75 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.427 -1.469 . . . . 10.0 109.427 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -81.53 -60.37 2.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.399 -1.059 . . . . 10.0 110.266 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' LEU . 57.9 m -39.78 -80.56 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.359 -0.838 . . . . 10.0 110.452 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.4 mp0 -39.38 -48.96 1.98 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.451 -0.781 . . . . 10.0 110.422 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 10' ' ' GLY . 1.7 tp -59.08 -40.89 86.63 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.264 -0.898 . . . . 10.0 110.281 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 15' ' ' LEU . 19.9 mt -65.67 -65.94 0.61 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.148 -0.97 . . . . 10.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.704 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.2 mt-30 -39.76 -45.28 1.71 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.3 -0.875 . . . . 10.0 110.12 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.519 ' O ' ' HG2' ' A' ' 21' ' ' GLU . . . -53.91 -47.72 64.89 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.437 -1.465 . . . . 10.0 109.437 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.665 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -71.41 -57.33 4.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.13 -1.217 . . . . 10.0 109.61 179.772 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.524 ' N ' ' CG ' ' A' ' 18' ' ' TYR . 1.8 m -51.08 -26.98 7.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 10.0 109.436 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 16' ' ' GLN . 10.2 t -73.4 -31.15 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.414 -0.804 . . . . 10.0 110.005 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.665 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.2 mt-10 -74.6 -32.97 62.52 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.232 -0.918 . . . . 10.0 109.695 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.5 t -70.97 -42.07 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.546 -0.721 . . . . 10.0 109.965 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.634 ' HG ' HG23 ' B' ' 7' ' ' ILE . 10.8 mp -80.7 -8.12 59.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 10.0 109.784 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.64 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 2.1 tpt180 -100.38 -35.0 9.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.404 -0.81 . . . . 10.0 109.907 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.2 pt20 -114.09 -15.87 12.2 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.257 -0.902 . . . . 10.0 110.392 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 42.59 78.82 0.36 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.166 -0.959 . . . . 10.0 110.061 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD3' ' HG2' ' A' ' 25' ' ' GLN . 42.8 Cg_endo -69.27 170.98 14.75 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 124.032 1.543 . . . . 10.0 110.685 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.32 -22.85 33.49 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 O-C-N 124.075 1.566 . . . . 10.0 110.469 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -150.28 124.68 9.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.368 -0.833 . . . . 10.0 110.009 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -82.34 -65.55 1.0 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 10.0 110.249 -179.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.547 ' C ' ' O ' ' A' ' 30' ' ' LEU . 9.8 t -32.02 -60.47 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.33 -0.856 . . . . 10.0 110.147 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' OD1' ' NH2' ' B' ' 42' ' ' ARG . 4.3 t0 -63.03 -43.4 98.82 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.594 -0.692 . . . . 10.0 110.245 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' LEU . 73.4 t80 -63.48 -44.66 93.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.157 -0.964 . . . . 10.0 109.78 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.76 -28.95 69.81 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.388 -0.82 . . . . 10.0 110.057 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.555 HG21 ' CA ' ' B' ' 39' ' ' THR . 2.4 t -83.47 -48.06 17.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 121.417 -0.802 . . . . 10.0 110.063 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -51.62 -33.93 35.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.327 -0.858 . . . . 10.0 109.842 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.606 ' CD2' ' HB2' ' A' ' 18' ' ' TYR . 4.0 t80 -72.69 -63.87 1.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 10.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.476 ' CE1' ' CE2' ' A' ' 37' ' ' TYR . 23.1 m-85 -58.85 -51.14 71.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.23 -0.919 . . . . 10.0 110.041 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.519 ' CA ' HG21 ' B' ' 35' ' ' VAL . 90.6 m -48.62 -43.9 36.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.247 -0.908 . . . . 10.0 109.868 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 mtt85 -76.45 -24.7 53.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.274 -0.891 . . . . 10.0 109.78 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -53.37 -40.72 65.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.333 -0.854 . . . . 10.0 109.922 179.74 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -50.49 -24.83 3.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.386 -0.821 . . . . 10.0 110.432 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.0 -18.99 17.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.287 -0.883 . . . . 10.0 109.89 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.617 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -64.2 -68.5 0.35 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.411 -0.806 . . . . 10.0 110.725 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.617 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -16.73 129.25 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.395 0.616 . . . . 10.0 111.333 -178.607 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.048 -0.977 . . . . 10.0 110.216 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.243 0.544 . . . . 10.0 110.299 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 9.3 ptm -99.44 37.58 1.56 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -0.914 . . . . 10.0 110.129 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.44 -162.24 30.49 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.536 -1.426 . . . . 10.0 109.536 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.492 ' C ' ' CD2' ' B' ' 4' ' ' HIS . 0.9 OUTLIER -129.96 -168.52 1.97 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.192 -1.181 . . . . 10.0 110.264 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' B' ' 5' ' ' ILE . 28.2 mm -122.06 96.18 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.222 -0.924 . . . . 10.0 110.029 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.45 ' O ' ' HD3' ' B' ' 8' ' ' PRO . 1.1 mm-40 -144.52 153.42 41.83 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.168 -0.958 . . . . 10.0 110.238 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.634 HG23 ' HG ' ' A' ' 23' A LEU . 30.6 mm -108.06 81.88 1.36 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.308 -0.87 . . . . 10.0 110.093 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' B' ' 6' ' ' GLN . 44.7 Cg_endo -70.55 131.6 20.43 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 O-C-N 124.089 1.573 . . . . 10.0 110.607 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -72.99 166.75 29.2 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 123.96 1.505 . . . . 10.0 110.486 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' B' ' 14' ' ' LEU . . . 126.06 -23.65 5.81 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.515 -1.434 . . . . 10.0 109.515 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.496 HD11 ' OG1' ' A' ' 19' ' ' THR . 0.2 OUTLIER -81.89 -60.16 2.33 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.291 -1.123 . . . . 10.0 110.28 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.45 ' O ' ' C ' ' B' ' 13' ' ' GLU . 53.2 m -39.86 -80.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.285 -0.885 . . . . 10.0 110.519 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.4 mp0 -39.38 -48.97 1.98 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.424 -0.797 . . . . 10.0 110.416 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' B' ' 10' ' ' GLY . 1.5 tp -59.1 -40.9 86.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.272 -0.893 . . . . 10.0 110.289 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' B' ' 15' ' ' LEU . 19.6 mt -65.33 -66.55 0.53 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.246 -0.909 . . . . 10.0 110.306 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.708 ' O ' HG23 ' B' ' 20' ' ' VAL . 1.2 mt-30 -39.33 -45.89 1.5 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 10.0 110.251 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.523 ' O ' ' HG2' ' B' ' 21' ' ' GLU . . . -53.17 -47.83 60.25 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.472 -1.451 . . . . 10.0 109.472 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.678 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -71.49 -57.2 4.64 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.086 -1.244 . . . . 10.0 109.642 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.517 ' N ' ' CG ' ' B' ' 18' ' ' TYR . 1.9 m -51.42 -26.08 7.37 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.257 -0.902 . . . . 10.0 109.472 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.708 HG23 ' O ' ' B' ' 16' ' ' GLN . 10.8 t -74.17 -31.01 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.427 -0.796 . . . . 10.0 110.024 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.678 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.2 mt-10 -74.77 -32.75 62.13 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.198 -0.939 . . . . 10.0 109.753 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.568 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.5 t -71.04 -42.09 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.575 -0.703 . . . . 10.0 109.947 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.643 ' HG ' HG23 ' A' ' 7' ' ' ILE . 10.7 mp -80.55 -8.52 59.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.871 . . . . 10.0 109.88 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.64 ' HB3' ' O ' ' B' ' 20' ' ' VAL . 2.0 tpt180 -100.03 -34.87 9.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.353 -0.842 . . . . 10.0 109.951 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.0 pt20 -114.18 -15.97 12.14 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.207 -0.933 . . . . 10.0 110.482 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 42.63 78.96 0.35 Allowed Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 10.0 110.105 -179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.4 ' HD3' ' HG2' ' B' ' 25' ' ' GLN . 43.3 Cg_endo -69.39 170.92 15.03 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 O-C-N 124.056 1.556 . . . . 10.0 110.597 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.23 -23.35 33.32 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.032 1.543 . . . . 10.0 110.499 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -149.69 124.78 10.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.319 -0.863 . . . . 10.0 109.915 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.543 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.3 OUTLIER -82.23 -65.91 0.95 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.208 -0.932 . . . . 10.0 110.208 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.543 ' C ' ' O ' ' B' ' 30' ' ' LEU . 7.1 t -31.95 -60.62 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.341 -0.849 . . . . 10.0 110.149 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -62.57 -43.04 99.8 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.549 -0.72 . . . . 10.0 110.187 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 30' ' ' LEU . 73.3 t80 -64.05 -43.69 94.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.165 -0.959 . . . . 10.0 109.847 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.68 -28.98 70.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.336 -0.853 . . . . 10.0 109.982 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.519 HG21 ' CA ' ' A' ' 39' ' ' THR . 2.4 t -83.18 -47.48 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 121.299 -0.875 . . . . 10.0 110.066 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.36 -34.27 46.84 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.287 -0.883 . . . . 10.0 109.903 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.603 ' CD2' ' HB2' ' B' ' 18' ' ' TYR . 4.2 t80 -72.44 -63.52 1.14 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 10.0 110.132 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.474 ' CE1' ' CE2' ' B' ' 37' ' ' TYR . 23.1 m-85 -59.25 -50.62 73.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.198 -0.939 . . . . 10.0 110.118 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.555 ' CA ' HG21 ' A' ' 35' ' ' VAL . 88.6 m -48.81 -45.39 40.3 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.216 -0.928 . . . . 10.0 109.799 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -75.25 -23.94 57.56 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.325 -0.859 . . . . 10.0 109.728 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.487 HD13 ' O ' ' B' ' 41' ' ' LEU . 0.4 OUTLIER -54.14 -41.89 68.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.307 -0.871 . . . . 10.0 109.945 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.484 ' NH2' ' OD1' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -47.68 -30.93 4.15 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.176 -0.953 . . . . 10.0 110.278 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -20.46 20.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.366 -0.833 . . . . 10.0 110.277 -179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.613 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -62.28 -69.35 0.26 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.339 -0.85 . . . . 10.0 110.744 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.613 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.1 OUTLIER -16.36 128.81 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.328 0.585 . . . . 10.0 111.346 -178.614 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 118.064 -0.97 . . . . 10.0 110.187 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 56.3 m80 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.272 0.558 . . . . 10.0 110.21 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.28 45.02 7.05 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 10.0 110.115 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 4' ' ' HIS . . . -173.37 -166.37 31.62 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.586 -1.406 . . . . 10.0 109.586 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.575 ' CG ' ' O ' ' A' ' 3' ' ' GLY . 21.3 m80 -163.42 -86.65 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.342 -1.093 . . . . 10.0 110.103 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.809 ' HA ' HD21 ' B' ' 23' B LEU . 1.0 OUTLIER -129.89 144.61 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.246 -0.909 . . . . 10.0 109.873 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 5' ' ' ILE . 1.3 mm-40 -175.77 -161.51 0.09 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.155 -0.965 . . . . 10.0 110.327 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.21 124.3 38.81 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.315 -0.865 . . . . 10.0 110.069 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.701 ' HB2' ' CB ' ' A' ' 11' ' ' LEU . 45.7 Cg_endo -71.54 153.34 60.33 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 O-C-N 123.983 1.517 . . . . 10.0 110.197 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.639 ' O ' ' N ' ' A' ' 11' ' ' LEU . 51.0 Cg_endo -78.72 114.93 3.52 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 O-C-N 123.887 1.467 . . . . 10.0 112.052 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 9' ' ' PRO . . . 39.05 19.78 0.01 OUTLIER Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.977 -1.249 . . . . 10.0 109.977 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.701 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 14.1 tp -66.05 -31.9 73.05 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.142 -1.211 . . . . 10.0 110.449 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 14.0 m -56.47 -77.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.248 -0.907 . . . . 10.0 110.197 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.0 tt0 -35.53 -41.53 0.2 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.566 -0.708 . . . . 10.0 110.71 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.15 -64.11 0.94 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.215 -0.928 . . . . 10.0 110.46 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 HD22 ' B' ' 15' ' ' LEU . 72.6 mt -66.15 -40.74 90.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.233 -0.917 . . . . 10.0 110.437 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -59.23 -60.25 4.16 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.013 -1.054 . . . . 10.0 109.416 179.612 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.513 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -46.65 -31.31 5.13 Favored Glycine 0 N--CA 1.488 2.126 0 N-CA-C 108.994 -1.642 . . . . 10.0 108.994 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.721 ' OH ' ' HA ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -62.46 -61.25 2.57 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.291 -1.123 . . . . 10.0 110.255 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 23' A LEU . 0.4 OUTLIER -42.96 -30.19 0.39 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.223 -0.923 . . . . 10.0 109.826 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.537 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 6.1 t -75.26 -29.64 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.293 -0.879 . . . . 10.0 110.155 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -91.19 -59.58 2.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.17 -0.956 . . . . 10.0 109.575 179.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.865 HG22 ' CE2' ' A' ' 33' ' ' PHE . 4.1 t -48.6 -39.19 10.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.616 -0.677 . . . . 10.0 109.896 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.7 HD21 ' HA ' ' B' ' 5' ' ' ILE . 16.7 tp -72.8 -50.65 22.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.864 . . . . 10.0 110.427 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.537 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -62.6 -58.3 8.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.124 -0.985 . . . . 10.0 110.544 -179.752 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.535 ' HG3' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -76.53 -22.33 54.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.066 -1.021 . . . . 10.0 110.638 -179.541 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.535 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 1.2 mt-30 41.84 82.26 0.23 Allowed Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.151 -0.968 . . . . 10.0 110.372 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.87 164.5 34.4 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 O-C-N 123.94 1.495 . . . . 10.0 110.439 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.47 -25.82 29.54 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 124.011 1.532 . . . . 10.0 110.437 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.03 130.39 4.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.923 . . . . 10.0 110.109 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.767 ' CD1' ' HB2' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -63.43 -60.07 3.85 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.214 -0.929 . . . . 10.0 110.436 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 35' ' ' VAL . 11.5 t -26.63 -61.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.51 -0.744 . . . . 10.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.47 ' OD1' ' HD3' ' B' ' 42' ' ' ARG . 0.4 OUTLIER -63.99 -52.91 57.37 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.567 -0.708 . . . . 10.0 110.131 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.865 ' CE2' HG22 ' A' ' 22' ' ' VAL . 89.8 t80 -54.56 -42.45 71.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.272 -0.893 . . . . 10.0 109.81 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.767 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . . . -54.98 -42.45 72.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.308 -0.87 . . . . 10.0 109.824 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 31' ' ' VAL . 44.6 t -70.69 -53.42 22.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.363 -0.836 . . . . 10.0 110.648 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -48.9 -57.02 7.11 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 10.0 110.856 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.509 ' CG ' ' HE1' ' A' ' 18' ' ' TYR . 79.7 t80 -57.46 -74.42 0.06 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.94 . . . . 10.0 110.747 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.757 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 24.0 m-85 -47.24 -56.31 6.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 10.0 110.774 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.557 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 54.4 m -42.77 -56.72 3.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.092 -1.005 . . . . 10.0 110.24 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.5 mtt85 -58.98 -26.07 64.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.212 -0.93 . . . . 10.0 109.973 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' HB3' HG13 ' B' ' 31' ' ' VAL . 9.2 tp -75.39 -22.81 57.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 10.0 109.992 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -81.65 -14.95 56.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.342 -0.849 . . . . 10.0 110.015 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -107.6 -21.62 12.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.213 -0.929 . . . . 10.0 110.518 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.655 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -92.14 -77.74 0.42 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.151 -0.968 . . . . 10.0 110.774 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.655 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -7.23 82.35 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.22 0.533 . . . . 10.0 111.419 -178.819 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.3 tpm_? . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 117.929 -1.034 . . . . 10.0 110.198 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 55.6 m80 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.203 0.525 . . . . 10.0 110.186 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.17 44.45 7.77 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.295 -0.878 . . . . 10.0 110.196 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . 0.57 ' O ' ' CG ' ' B' ' 4' ' ' HIS . . . -172.65 -166.42 31.16 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.587 -1.405 . . . . 10.0 109.587 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' B' ' 3' ' ' GLY . 20.9 m80 -163.36 -86.51 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.192 -1.181 . . . . 10.0 110.068 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.7 ' HA ' HD21 ' A' ' 23' A LEU . 1.0 OUTLIER -130.02 144.69 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.276 -0.89 . . . . 10.0 109.889 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' B' ' 5' ' ' ILE . 1.4 mm-40 -175.93 -161.28 0.08 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.15 -0.968 . . . . 10.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.2 124.39 38.49 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.26 -0.9 . . . . 10.0 110.123 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.704 ' HB2' ' CB ' ' B' ' 11' ' ' LEU . 47.0 Cg_endo -71.56 153.41 60.22 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 O-C-N 123.866 1.456 . . . . 10.0 110.34 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.637 ' O ' ' N ' ' B' ' 11' ' ' LEU . 51.6 Cg_endo -78.9 114.77 3.46 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 O-C-N 123.826 1.435 . . . . 10.0 112.056 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' B' ' 9' ' ' PRO . . . 39.27 19.51 0.01 OUTLIER Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.928 -1.269 . . . . 10.0 109.928 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.704 ' CB ' ' HB2' ' B' ' 8' ' ' PRO . 14.0 tp -65.96 -32.17 73.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.0 -1.294 . . . . 10.0 110.392 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' B' ' 16' ' ' GLN . 12.1 m -56.01 -78.16 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 10.0 110.167 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.0 tt0 -35.43 -41.89 0.2 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.585 -0.697 . . . . 10.0 110.713 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 2.9 mp -64.68 -64.0 0.98 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.215 -0.928 . . . . 10.0 110.43 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.453 HD22 HD22 ' A' ' 15' ' ' LEU . 74.3 mt -66.16 -41.12 90.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.933 . . . . 10.0 110.498 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.511 ' HB3' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -58.77 -60.49 3.75 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.012 -1.055 . . . . 10.0 109.549 179.588 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.507 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -46.4 -31.31 4.77 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.995 -1.642 . . . . 10.0 108.995 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.704 ' OH ' ' HA ' ' B' ' 34' ' ' ALA . 0.1 OUTLIER -62.43 -61.22 2.59 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.293 -1.122 . . . . 10.0 110.281 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' B' ' 23' B LEU . 0.4 OUTLIER -42.94 -30.11 0.38 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.184 -0.948 . . . . 10.0 109.816 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.532 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 5.4 t -75.34 -29.92 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.267 -0.896 . . . . 10.0 110.213 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.55 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.9 OUTLIER -90.97 -59.24 2.22 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.168 -0.957 . . . . 10.0 109.525 179.772 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.865 HG22 ' CE2' ' B' ' 33' ' ' PHE . 4.0 t -49.03 -38.92 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.675 -0.64 . . . . 10.0 109.943 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.809 HD21 ' HA ' ' A' ' 5' ' ' ILE . 17.1 tp -73.11 -51.14 19.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.257 -0.902 . . . . 10.0 110.378 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.532 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -62.04 -58.13 9.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.131 -0.98 . . . . 10.0 110.67 -179.719 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.539 ' HG3' ' N ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -76.69 -22.4 54.0 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.185 -0.947 . . . . 10.0 110.637 -179.605 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.539 ' N ' ' HG3' ' B' ' 25' ' ' GLN . 1.2 mt-30 41.97 82.4 0.23 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.211 -0.931 . . . . 10.0 110.294 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -69.96 164.29 35.29 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 O-C-N 124.04 1.547 . . . . 10.0 110.475 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.42 -24.97 30.63 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 O-C-N 123.983 1.517 . . . . 10.0 110.528 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.96 130.54 4.26 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.362 -0.836 . . . . 10.0 110.031 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.759 ' CD1' ' HB2' ' B' ' 34' ' ' ALA . 0.6 OUTLIER -63.71 -60.56 3.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.909 . . . . 10.0 110.392 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.627 ' O ' HG23 ' B' ' 35' ' ' VAL . 10.9 t -26.03 -60.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.55 -0.719 . . . . 10.0 110.39 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.54 -52.7 56.37 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.542 -0.724 . . . . 10.0 110.123 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.865 ' CE2' HG22 ' B' ' 22' ' ' VAL . 89.6 t80 -54.71 -42.15 71.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.189 -0.944 . . . . 10.0 109.688 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.759 ' HB2' ' CD1' ' B' ' 30' ' ' LEU . . . -55.05 -43.12 73.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.33 -0.856 . . . . 10.0 109.75 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.627 HG23 ' O ' ' B' ' 31' ' ' VAL . 42.8 t -70.22 -53.5 22.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.316 -0.865 . . . . 10.0 110.659 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -48.79 -57.89 5.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.208 -0.932 . . . . 10.0 110.967 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.512 ' CG ' ' HE1' ' B' ' 18' ' ' TYR . 78.9 t80 -56.63 -74.15 0.05 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.189 -0.944 . . . . 10.0 110.823 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.765 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 24.1 m-85 -47.59 -56.19 7.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.29 -0.881 . . . . 10.0 110.859 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.558 ' CB ' ' O ' ' B' ' 35' ' ' VAL . 54.5 m -42.66 -56.64 3.06 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.146 -0.971 . . . . 10.0 110.237 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -59.09 -25.63 63.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.17 -0.956 . . . . 10.0 110.033 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.62 ' HB3' HG13 ' A' ' 31' ' ' VAL . 9.3 tp -75.87 -22.85 55.76 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.21 -0.931 . . . . 10.0 109.965 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.47 ' HD3' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -81.69 -14.66 56.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.324 -0.86 . . . . 10.0 109.979 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -108.05 -20.92 13.01 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.164 -0.96 . . . . 10.0 110.485 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.652 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -92.93 -77.49 0.44 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.168 -0.957 . . . . 10.0 110.701 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.652 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -7.48 82.52 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.296 0.569 . . . . 10.0 111.421 -178.805 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' B' ' 44' ' ' ALA . 1.3 tpm_? . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.015 -0.993 . . . . 10.0 110.164 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.53 ' CG ' ' SD ' ' A' ' 2' ' ' MET . 12.7 t-160 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.205 0.526 . . . . 10.0 110.181 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.53 ' SD ' ' CG ' ' A' ' 1' ' ' HIS . 0.0 OUTLIER -127.65 77.73 1.77 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.261 -0.899 . . . . 10.0 110.063 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 2' ' ' MET . . . -42.46 137.79 3.05 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.588 -1.405 . . . . 10.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 1.018 ' CE1' HD11 ' A' ' 5' ' ' ILE . 2.2 t-160 -149.99 -39.83 0.14 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -1.118 . . . . 10.0 110.082 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.018 HD11 ' CE1' ' A' ' 4' ' ' HIS . 15.3 mm -122.03 -165.62 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.445 -0.784 . . . . 10.0 109.747 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.907 ' OE1' HG12 ' B' ' 22' ' ' VAL . 0.4 OUTLIER -99.19 -163.13 1.01 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.111 -0.993 . . . . 10.0 109.747 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.833 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 1.7 mm -112.97 24.61 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 120.683 -1.26 . . . . 10.0 112.735 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.987 ' CG ' HD12 ' A' ' 11' ' ' LEU . 55.5 Cg_endo -81.49 129.78 6.7 Favored 'Trans proline' 0 C--N 1.3 -1.99 0 C-N-CA 121.545 1.496 . . . . 10.0 110.255 178.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -78.06 119.58 4.72 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 O-C-N 123.831 1.437 . . . . 10.0 110.604 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.63 1.08 55.36 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.874 -1.29 . . . . 10.0 109.874 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.987 HD12 ' CG ' ' A' ' 8' ' ' PRO . 0.6 OUTLIER -73.29 -46.48 49.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.099 -1.236 . . . . 10.0 110.397 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 18.8 m -35.62 -62.22 0.42 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.453 -0.779 . . . . 10.0 110.196 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.5 tt0 -41.36 -49.77 3.79 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.487 -0.758 . . . . 10.0 110.292 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD21 HG22 ' B' ' 31' ' ' VAL . 2.6 mp -56.09 -68.24 0.22 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.203 -0.935 . . . . 10.0 110.424 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.642 HD13 HD21 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -57.74 -58.42 8.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.19 -0.944 . . . . 10.0 110.391 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HB2' ' O ' ' A' ' 12' ' ' THR . 2.2 tt0 -40.56 -43.92 1.98 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.167 -0.958 . . . . 10.0 109.815 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . -52.3 -60.77 7.31 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 108.796 -1.722 . . . . 10.0 108.796 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.804 ' OH ' ' HB2' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -39.0 -56.3 1.43 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.499 -1.001 . . . . 10.0 110.138 179.465 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.532 ' OG1' ' HA ' ' B' ' 5' ' ' ILE . 1.1 m -47.76 -40.03 19.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.469 -0.769 . . . . 10.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.805 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 99.1 t -77.35 -20.69 14.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.183 -0.948 . . . . 10.0 110.751 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -92.72 -52.1 4.78 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.857 -1.152 . . . . 10.0 109.899 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.967 HG12 ' OE1' ' B' ' 6' ' ' GLN . 3.1 t -59.72 -28.73 41.18 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.623 -0.673 . . . . 10.0 110.049 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.711 ' N ' ' HG3' ' B' ' 6' ' ' GLN . 13.9 tp -88.81 -31.45 18.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 10.0 110.095 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.805 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -96.88 35.46 1.54 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 10.0 110.387 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.545 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -175.08 -34.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 10.0 110.465 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER 40.97 79.94 0.3 Allowed Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.359 -0.838 . . . . 10.0 110.224 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.66 ' HG3' ' CD2' ' A' ' 33' ' ' PHE . 43.9 Cg_endo -70.44 170.72 16.72 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 O-C-N 124.025 1.539 . . . . 10.0 110.684 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.83 -24.68 29.07 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 O-C-N 124.02 1.537 . . . . 10.0 110.467 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -142.19 132.04 24.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 10.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.575 ' CD1' ' HG ' ' B' ' 11' ' ' LEU . 0.4 OUTLIER -86.0 -67.85 0.78 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.206 -0.934 . . . . 10.0 110.277 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.542 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.7 t -34.04 -66.4 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.312 -0.867 . . . . 10.0 109.706 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD2' ' HD3' ' B' ' 42' ' ' ARG . 5.3 t0 -50.51 -44.04 55.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.674 -0.641 . . . . 10.0 109.527 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.66 ' CD2' ' HG3' ' A' ' 27' ' ' PRO . 0.7 OUTLIER -57.06 -63.06 1.34 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.229 -0.919 . . . . 10.0 109.057 178.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.804 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -44.84 -29.95 0.89 Allowed 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.511 -0.743 . . . . 10.0 109.84 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.66 HG21 ' HA ' ' B' ' 39' ' ' THR . 2.7 t -81.26 -52.77 13.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.338 -0.851 . . . . 10.0 109.764 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 40' ' ' ARG . 1.5 mm-40 -53.12 -45.15 68.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.363 -0.835 . . . . 10.0 110.276 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -64.89 -70.35 0.24 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 10.0 110.579 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.548 ' HB3' HG23 ' B' ' 35' ' ' VAL . 19.2 m-85 -53.19 -48.17 68.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.262 -0.899 . . . . 10.0 110.531 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.596 ' HA ' HG21 ' B' ' 35' ' ' VAL . 37.2 m -51.17 -48.4 61.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.045 -1.034 . . . . 10.0 109.934 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.529 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -65.08 -23.53 67.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.251 -0.906 . . . . 10.0 109.926 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' A' ' 41' ' ' LEU . 6.8 tp -72.77 -28.4 62.58 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.29 -0.881 . . . . 10.0 110.153 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -67.39 -21.37 65.61 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.16 -0.963 . . . . 10.0 110.1 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' ALA . 1.3 mt-10 -80.65 -16.39 54.14 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.259 -0.901 . . . . 10.0 110.33 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.505 ' O ' ' O ' ' A' ' 45' ' ' ARG . . . -41.73 -67.9 0.23 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.2 -0.938 . . . . 10.0 110.436 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.505 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -40.04 165.18 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.314 -0.554 . . . . 10.0 110.56 -178.699 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 45' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 118.01 -0.995 . . . . 10.0 110.244 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.536 ' CG ' ' SD ' ' B' ' 2' ' ' MET . 12.3 t-160 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.207 0.527 . . . . 10.0 110.185 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . 0.536 ' SD ' ' CG ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER -127.68 77.76 1.77 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.227 -0.92 . . . . 10.0 110.19 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' B' ' 2' ' ' MET . . . -42.52 137.76 3.12 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.628 -1.389 . . . . 10.0 109.628 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 1.015 ' CE1' HD11 ' B' ' 5' ' ' ILE . 2.2 t-160 -150.27 -40.46 0.13 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.213 -1.169 . . . . 10.0 110.05 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 1.015 HD11 ' CE1' ' B' ' 4' ' ' HIS . 15.7 mm -121.39 -165.45 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.519 -0.738 . . . . 10.0 109.742 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.967 ' OE1' HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -99.7 -163.66 1.05 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.196 -0.94 . . . . 10.0 109.8 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.839 ' N ' ' CD ' ' B' ' 8' ' ' PRO . 1.9 mm -112.96 24.58 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 120.711 -1.243 . . . . 10.0 112.647 -179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.982 ' CG ' HD12 ' B' ' 11' ' ' LEU . 55.4 Cg_endo -81.79 129.02 6.15 Favored 'Trans proline' 0 C--N 1.3 -1.996 0 C-N-CA 121.493 1.462 . . . . 10.0 109.967 178.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -77.4 119.28 4.87 Favored 'Trans proline' 0 C--N 1.303 -1.866 0 O-C-N 123.8 1.421 . . . . 10.0 110.64 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.79 1.55 55.18 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.951 -1.26 . . . . 10.0 109.951 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.982 HD12 ' CG ' ' B' ' 8' ' ' PRO . 0.7 OUTLIER -73.39 -47.45 41.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.078 -1.248 . . . . 10.0 110.375 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.535 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 18.6 m -34.7 -62.77 0.34 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.371 -0.831 . . . . 10.0 110.295 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.2 tt0 -40.76 -50.15 3.12 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.517 -0.74 . . . . 10.0 110.291 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.522 HD21 HG22 ' A' ' 31' ' ' VAL . 2.5 mp -55.86 -69.39 0.14 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.336 -0.852 . . . . 10.0 110.429 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.682 HD13 HD21 ' B' ' 11' ' ' LEU . 0.8 OUTLIER -56.56 -58.36 8.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.18 -0.95 . . . . 10.0 110.349 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.0 tt0 -40.64 -44.25 2.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.195 -0.941 . . . . 10.0 109.906 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.492 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -52.31 -60.23 7.99 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 108.732 -1.747 . . . . 10.0 108.732 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.805 ' OH ' ' HB2' ' B' ' 34' ' ' ALA . 0.9 OUTLIER -39.23 -56.63 1.48 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.457 -1.026 . . . . 10.0 110.153 179.522 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.506 ' OG1' ' HA ' ' A' ' 5' ' ' ILE . 1.1 m -47.69 -39.33 17.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.473 -0.767 . . . . 10.0 110.283 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.82 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 93.2 t -77.64 -21.15 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 10.0 110.714 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.566 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -92.41 -51.54 5.09 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.836 -1.165 . . . . 10.0 109.971 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.907 HG12 ' OE1' ' A' ' 6' ' ' GLN . 3.3 t -60.04 -30.68 46.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.549 -0.719 . . . . 10.0 110.164 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.646 HD13 ' HA ' ' A' ' 6' ' ' GLN . 13.0 tp -87.57 -30.7 20.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.232 -0.918 . . . . 10.0 110.218 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.82 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -97.14 35.36 1.6 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.088 -1.007 . . . . 10.0 110.39 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.541 ' CG ' ' HD3' ' B' ' 27' ' ' PRO . 0.3 OUTLIER -175.26 -33.75 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.173 -0.954 . . . . 10.0 110.415 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.1 OUTLIER 40.9 79.9 0.3 Allowed Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.335 -0.853 . . . . 10.0 110.207 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.66 ' HG3' ' CD2' ' B' ' 33' ' ' PHE . 44.3 Cg_endo -70.41 170.67 16.78 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 O-C-N 124.026 1.54 . . . . 10.0 110.605 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.98 -24.32 28.82 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 O-C-N 123.994 1.523 . . . . 10.0 110.507 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -142.51 131.84 23.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.873 . . . . 10.0 110.208 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.568 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 0.4 OUTLIER -85.88 -67.84 0.78 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.272 -0.892 . . . . 10.0 110.23 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.539 ' C ' ' O ' ' B' ' 30' ' ' LEU . 13.9 t -34.25 -66.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.324 -0.86 . . . . 10.0 109.736 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -50.51 -43.75 55.89 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.582 -0.699 . . . . 10.0 109.562 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.66 ' CD2' ' HG3' ' B' ' 27' ' ' PRO . 0.8 OUTLIER -57.27 -63.03 1.36 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.138 -0.976 . . . . 10.0 108.986 178.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.805 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -44.66 -30.28 0.9 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.497 -0.752 . . . . 10.0 109.786 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.596 HG21 ' HA ' ' A' ' 39' ' ' THR . 2.7 t -81.07 -52.69 13.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.249 -0.907 . . . . 10.0 109.819 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' B' ' 40' ' ' ARG . 1.4 mm-40 -53.08 -45.57 68.21 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.331 -0.855 . . . . 10.0 110.4 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -64.57 -70.23 0.24 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 10.0 110.564 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.561 ' HB3' HG23 ' A' ' 35' ' ' VAL . 19.6 m-85 -53.28 -48.04 68.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 10.0 110.546 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.66 ' HA ' HG21 ' A' ' 35' ' ' VAL . 40.1 m -51.04 -48.48 61.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.972 -1.08 . . . . 10.0 109.827 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -65.02 -23.61 67.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.364 -0.835 . . . . 10.0 110.019 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' B' ' 41' ' ' LEU . 6.8 tp -72.65 -28.07 62.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.347 -0.846 . . . . 10.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.504 ' HD3' ' OD2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -67.83 -21.37 65.2 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 10.0 110.081 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' B' ' 44' ' ' ALA . 1.3 mt-10 -80.41 -16.36 54.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.282 -0.886 . . . . 10.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.504 ' O ' ' O ' ' B' ' 45' ' ' ARG . . . -41.93 -68.12 0.21 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.219 -0.926 . . . . 10.0 110.394 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.504 ' O ' ' O ' ' B' ' 44' ' ' ALA . 0.2 OUTLIER -39.85 164.94 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 120.206 -0.598 . . . . 10.0 110.572 -178.695 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' B' ' 45' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.062 -0.97 . . . . 10.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 73.6 m80 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 121.171 0.51 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -147.96 -177.36 5.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.075 -1.015 . . . . 10.0 110.244 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.83 -75.32 0.1 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.349 -1.501 . . . . 10.0 109.349 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -143.94 31.5 1.27 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.273 -1.133 . . . . 10.0 109.953 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.406 HG23 HD12 ' A' ' 5' ' ' ILE . 41.9 mm -123.06 148.45 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 10.0 110.248 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' A' ' 7' ' ' ILE . 6.0 tt0 -142.19 -170.21 3.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.293 -0.879 . . . . 10.0 109.893 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.058 HD11 ' CD1' ' B' ' 23' B LEU . 0.3 OUTLIER -39.19 108.07 0.46 Allowed Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.262 -0.899 . . . . 10.0 109.926 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.598 ' HD2' HD13 ' A' ' 7' ' ' ILE . 48.6 Cg_endo -73.03 110.33 3.02 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 O-C-N 123.808 1.425 . . . . 10.0 110.805 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 49.7 Cg_endo -78.07 165.89 25.5 Favored 'Trans proline' 0 C--N 1.303 -1.841 0 O-C-N 124.078 1.567 . . . . 10.0 110.347 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.54 2.25 43.68 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.768 -1.333 . . . . 10.0 109.768 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 11' ' ' LEU . 6.6 tp -55.2 -41.96 72.65 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.181 -1.188 . . . . 10.0 110.083 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 11' ' ' LEU . 1.3 m -41.32 -26.73 0.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 10.0 110.09 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' LEU . 33.6 tp10 -68.32 -66.01 0.62 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.236 -0.915 . . . . 10.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 mt -44.77 -42.67 7.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.233 -0.917 . . . . 10.0 110.21 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.055 HD23 HD23 ' B' ' 15' ' ' LEU . 3.0 tm? -61.34 -71.82 0.13 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.209 -0.932 . . . . 10.0 110.221 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.725 ' O ' HG23 ' A' ' 20' ' ' VAL . 1.3 mt-30 -38.36 -29.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.406 -0.809 . . . . 10.0 110.016 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.572 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -79.9 -43.23 10.11 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.315 -1.514 . . . . 10.0 109.315 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.744 ' HD2' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -70.23 -40.7 74.33 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.141 -1.211 . . . . 10.0 109.766 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.512 ' O ' HD22 ' A' ' 23' A LEU . 1.9 m -66.77 -31.99 73.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.071 -1.018 . . . . 10.0 109.732 179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 16' ' ' GLN . 17.7 t -69.12 -26.15 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.264 -0.898 . . . . 10.0 109.999 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.592 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -75.13 -31.05 60.98 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.224 -0.922 . . . . 10.0 109.284 179.353 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.892 HG11 HD13 ' A' ' 30' ' ' LEU . 1.6 t -76.49 -22.13 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.633 -0.667 . . . . 10.0 110.413 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 1.046 ' CD1' HD11 ' B' ' 7' ' ' ILE . 0.1 OUTLIER -89.82 -25.77 20.89 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.23 -0.919 . . . . 10.0 110.469 -179.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.61 -14.85 41.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.897 . . . . 10.0 110.167 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' NE2' ' CE2' ' A' ' 33' ' ' PHE . 5.5 pt20 -126.58 -33.75 2.51 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.184 -0.947 . . . . 10.0 110.112 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 25' ' ' GLN . 1.2 mt-30 51.06 78.05 0.42 Allowed Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.354 -0.841 . . . . 10.0 110.575 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.467 ' HG3' ' CG ' ' A' ' 33' ' ' PHE . 44.6 Cg_endo -70.29 166.72 27.33 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 O-C-N 123.958 1.504 . . . . 10.0 110.485 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.57 -5.19 15.5 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.994 1.523 . . . . 10.0 110.221 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.527 ' OD2' ' CB ' ' A' ' 32' ' ' ASP . 19.3 p-10 -165.66 126.57 1.88 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.823 . . . . 10.0 109.817 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.892 HD13 HG11 ' A' ' 22' ' ' VAL . 42.3 tp -79.04 -71.15 0.46 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.137 -0.977 . . . . 10.0 110.781 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 30' ' ' LEU . 18.4 t -21.35 -61.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 CA-C-O 121.698 0.761 . . . . 10.0 110.508 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.556 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -63.07 -50.8 69.15 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.62 -0.675 . . . . 10.0 110.021 179.73 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.695 ' CE1' HG22 ' A' ' 22' ' ' VAL . 35.4 t80 -55.87 -50.2 71.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.897 -1.127 . . . . 10.0 109.178 179.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.05 -30.52 2.74 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.386 -0.821 . . . . 10.0 109.506 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.685 HG13 ' OG1' ' A' ' 39' ' ' THR . 2.8 t -78.69 -51.65 16.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 O-C-N 121.478 -0.764 . . . . 10.0 109.566 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -46.41 -36.21 6.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.246 -0.909 . . . . 10.0 109.758 179.658 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.574 ' CD1' ' OE2' ' A' ' 21' ' ' GLU . 28.3 t80 -71.01 -66.12 0.65 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.925 . . . . 10.0 110.038 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.505 ' HB3' HG23 ' B' ' 35' ' ' VAL . 35.1 m-85 -60.77 -50.23 74.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.217 -0.927 . . . . 10.0 109.958 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.685 ' OG1' HG13 ' A' ' 35' ' ' VAL . 51.5 m -48.91 -40.22 29.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.297 -0.877 . . . . 10.0 109.783 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.484 ' HA ' ' OE1' ' A' ' 43' ' ' GLU . 3.1 ttp85 -83.05 -25.15 32.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.353 -0.842 . . . . 10.0 109.988 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.551 HD23 HG13 ' B' ' 31' ' ' VAL . 11.3 tp -50.5 -55.53 15.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 10.0 110.037 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.531 ' CG ' ' O ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -37.2 -40.37 0.32 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.259 -0.901 . . . . 10.0 109.615 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.722 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 1.5 mt-10 -89.48 -60.34 1.97 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.479 -0.763 . . . . 10.0 109.679 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 43' ' ' GLU . . . 67.77 -55.09 0.49 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.487 -0.758 . . . . 10.0 110.543 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.563 ' O ' ' C ' ' A' ' 46' ' ' ARG . 3.5 tmm_? -33.44 83.95 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.317 -178.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.674 ' N ' ' O ' ' A' ' 44' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.823 0 CA-C-O 117.987 -1.006 . . . . 10.0 110.815 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 72.0 m80 . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 121.202 0.525 . . . . 10.0 110.077 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -147.44 -178.51 6.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.051 -1.031 . . . . 10.0 110.343 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.95 -75.19 0.1 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.337 -1.505 . . . . 10.0 109.337 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -143.87 31.48 1.28 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.232 -1.158 . . . . 10.0 110.023 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.407 HG23 HD12 ' B' ' 5' ' ' ILE . 41.8 mm -123.18 148.61 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.301 -0.875 . . . . 10.0 110.322 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' B' ' 7' ' ' ILE . 5.4 tt0 -142.37 -170.27 3.15 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.254 -0.904 . . . . 10.0 109.886 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 1.046 HD11 ' CD1' ' A' ' 23' A LEU . 0.3 OUTLIER -39.16 108.06 0.46 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.264 -0.897 . . . . 10.0 109.852 179.791 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.598 ' HD2' HD13 ' B' ' 7' ' ' ILE . 46.6 Cg_endo -72.97 110.31 3.01 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.802 1.422 . . . . 10.0 110.799 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' B' ' 7' ' ' ILE . 50.5 Cg_endo -78.1 165.73 25.65 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 O-C-N 123.997 1.525 . . . . 10.0 110.288 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.74 2.7 43.12 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.793 -1.323 . . . . 10.0 109.793 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.55 ' O ' HD12 ' B' ' 11' ' ' LEU . 6.2 tp -55.44 -42.09 73.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.114 -1.227 . . . . 10.0 110.009 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.428 ' C ' ' O ' ' B' ' 11' ' ' LEU . 1.3 m -40.95 -26.87 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.278 -0.889 . . . . 10.0 110.016 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' LEU . 33.2 tp10 -68.23 -65.9 0.64 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.261 -0.899 . . . . 10.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' B' ' 13' ' ' GLU . 54.3 mt -44.86 -42.24 7.8 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 10.0 110.129 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 1.055 HD23 HD23 ' A' ' 15' ' ' LEU . 3.0 tm? -61.41 -71.83 0.14 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.249 -0.907 . . . . 10.0 110.181 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.719 ' O ' HG23 ' B' ' 20' ' ' VAL . 1.5 mt-30 -38.71 -28.74 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.423 -0.798 . . . . 10.0 110.024 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.569 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -80.07 -43.62 9.63 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.357 -1.497 . . . . 10.0 109.357 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.679 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.0 OUTLIER -70.32 -40.14 74.36 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.192 -1.181 . . . . 10.0 109.759 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.53 HG23 HD23 ' A' ' 11' ' ' LEU . 2.0 m -67.19 -32.15 73.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.124 -0.985 . . . . 10.0 109.643 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.719 HG23 ' O ' ' B' ' 16' ' ' GLN . 16.8 t -68.92 -26.38 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.358 -0.839 . . . . 10.0 110.075 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.591 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.7 OUTLIER -74.9 -31.32 61.54 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.168 -0.958 . . . . 10.0 109.236 179.397 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.899 HG11 HD13 ' B' ' 30' ' ' LEU . 1.6 t -76.33 -21.92 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.591 -0.693 . . . . 10.0 110.413 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 1.058 ' CD1' HD11 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -89.92 -25.96 20.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.13 -0.981 . . . . 10.0 110.401 -179.761 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -14.92 41.52 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.107 -0.995 . . . . 10.0 110.181 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.489 ' NE2' ' CE2' ' B' ' 33' ' ' PHE . 5.5 pt20 -126.4 -33.73 2.55 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.205 -0.934 . . . . 10.0 110.123 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' B' ' 25' ' ' GLN . 1.2 mt-30 50.95 78.2 0.41 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.39 -0.819 . . . . 10.0 110.524 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.473 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 44.0 Cg_endo -70.41 166.55 28.04 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 O-C-N 123.891 1.469 . . . . 10.0 110.445 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.62 -4.93 14.92 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 O-C-N 124.039 1.547 . . . . 10.0 110.282 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.528 ' OD2' ' CB ' ' B' ' 32' ' ' ASP . 19.4 p-10 -165.7 126.03 1.8 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.468 -0.77 . . . . 10.0 109.795 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.899 HD13 HG11 ' B' ' 22' ' ' VAL . 41.1 tp -78.6 -71.18 0.45 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 10.0 110.673 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.601 ' C ' ' O ' ' B' ' 30' ' ' LEU . 18.1 t -21.37 -61.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.561 -0.712 . . . . 10.0 110.457 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.556 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 0.6 OUTLIER -63.08 -50.69 69.58 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.75 -0.594 . . . . 10.0 110.061 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.697 ' CE1' HG22 ' B' ' 22' ' ' VAL . 35.4 t80 -55.98 -50.17 71.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.965 -1.084 . . . . 10.0 109.2 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.11 -30.41 2.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.394 -0.816 . . . . 10.0 109.506 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.687 HG13 ' OG1' ' B' ' 39' ' ' THR . 3.0 t -78.89 -51.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 O-C-N 121.33 -0.856 . . . . 10.0 109.69 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.0 OUTLIER -46.43 -36.02 6.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.247 -0.908 . . . . 10.0 109.734 179.624 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.575 ' CD1' ' OE2' ' B' ' 21' ' ' GLU . 29.1 t80 -71.21 -66.24 0.64 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.328 -0.857 . . . . 10.0 110.073 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.53 ' HB3' HG23 ' A' ' 35' ' ' VAL . 34.4 m-85 -60.69 -50.47 73.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.272 -0.892 . . . . 10.0 109.874 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.687 ' OG1' HG13 ' B' ' 35' ' ' VAL . 56.1 m -48.87 -39.7 26.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.275 -0.891 . . . . 10.0 109.892 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.471 ' HA ' ' OE1' ' B' ' 43' ' ' GLU . 3.3 ttp85 -83.31 -25.42 31.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.33 -0.856 . . . . 10.0 109.836 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.567 HD23 HG13 ' A' ' 31' ' ' VAL . 11.1 tp -49.94 -55.83 13.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.297 -0.877 . . . . 10.0 109.986 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.525 ' C ' ' O ' ' B' ' 41' ' ' LEU . 0.0 OUTLIER -37.28 -39.86 0.3 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.356 -0.84 . . . . 10.0 109.579 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.724 ' O ' ' HB3' ' B' ' 44' ' ' ALA . 1.4 mt-10 -89.99 -60.43 1.94 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.466 -0.771 . . . . 10.0 109.726 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' B' ' 43' ' ' GLU . . . 67.72 -55.16 0.49 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.366 -0.834 . . . . 10.0 110.552 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.562 ' O ' ' C ' ' B' ' 46' ' ' ARG . 3.5 tmm_? -33.35 83.99 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.145 0.498 . . . . 10.0 111.374 -178.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.674 ' N ' ' O ' ' B' ' 44' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 117.925 -1.036 . . . . 10.0 110.799 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 51.6 m170 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.258 0.552 . . . . 10.0 110.261 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.9 mmm -107.85 57.93 0.62 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.227 -0.921 . . . . 10.0 110.222 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.08 123.4 6.83 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.584 -1.406 . . . . 10.0 109.584 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -113.65 -145.11 0.39 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.232 -1.158 . . . . 10.0 110.13 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.692 ' O ' ' CG2' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -136.05 107.71 7.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.159 -0.963 . . . . 10.0 110.029 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER 179.82 146.61 0.23 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.2 -0.938 . . . . 10.0 109.904 -179.749 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.952 ' O ' HD12 ' A' ' 7' ' ' ILE . 1.8 pp -37.71 131.37 0.88 Allowed Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.306 -0.871 . . . . 10.0 110.216 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.755 ' O ' HD12 ' A' ' 11' ' ' LEU . 49.0 Cg_endo -75.38 111.23 3.26 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 O-C-N 123.951 1.501 . . . . 10.0 110.943 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 7' ' ' ILE . 46.2 Cg_endo -73.81 -177.54 3.21 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 O-C-N 123.971 1.511 . . . . 10.0 110.317 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.488 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . 75.42 11.14 84.47 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.696 -1.362 . . . . 10.0 109.696 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -74.73 -26.06 59.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.277 -1.131 . . . . 10.0 110.156 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' C ' ' A' ' 13' ' ' GLU . 1.8 m -61.71 -66.31 0.56 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 10.0 110.35 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 12' ' ' THR . 4.7 pt-20 -35.2 -48.85 0.46 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.591 -0.693 . . . . 10.0 110.691 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.728 HD12 HD23 ' B' ' 30' ' ' LEU . 1.0 OUTLIER -55.71 -62.42 1.7 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.202 -0.936 . . . . 10.0 110.126 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 16' ' ' GLN . 11.9 mt -64.74 -56.63 12.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 10.0 110.155 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' LEU . 1.8 tt0 -42.27 -57.98 2.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.224 -0.922 . . . . 10.0 109.829 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' VAL . . . -46.41 -50.41 13.64 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 108.753 -1.739 . . . . 10.0 108.753 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.617 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 0.6 OUTLIER -41.96 -63.07 0.79 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.338 -1.095 . . . . 10.0 109.946 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -47.24 -24.84 0.8 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.429 -0.795 . . . . 10.0 110.128 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' GLY . 16.4 t -89.66 -33.8 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.243 -0.91 . . . . 10.0 110.438 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.617 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -73.82 -44.41 55.81 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.097 -1.002 . . . . 10.0 108.897 179.594 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' A' ' 26' ' ' GLN . 16.8 t -63.36 -52.64 55.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.878 -0.514 . . . . 10.0 110.026 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.549 ' HB2' ' O ' ' A' ' 19' ' ' THR . 2.1 tp -55.62 -27.05 47.49 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.222 -0.923 . . . . 10.0 109.933 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -65.95 -13.43 59.77 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.373 -0.829 . . . . 10.0 110.239 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.566 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -158.55 14.44 0.19 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.201 -0.937 . . . . 10.0 110.741 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.566 ' C ' ' O ' ' A' ' 25' ' ' GLN . 49.2 mt-30 26.24 55.9 0.4 Allowed Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.389 -0.819 . . . . 10.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.491 ' HD3' ' HG3' ' A' ' 25' ' ' GLN . 44.3 Cg_endo -70.93 119.56 6.4 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 O-C-N 123.882 1.464 . . . . 10.0 110.784 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -70.19 -0.95 8.03 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 O-C-N 123.979 1.515 . . . . 10.0 110.274 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.537 ' O ' ' C ' ' A' ' 30' ' ' LEU . 2.0 m-20 -100.46 27.93 5.41 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.299 -0.876 . . . . 10.0 110.254 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.67 HD23 HD12 ' B' ' 14' ' ' LEU . 2.1 tp -29.91 -61.72 0.15 Allowed 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 121.028 0.442 . . . . 10.0 110.333 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.449 ' H ' HG23 ' A' ' 31' ' ' VAL . 16.6 t -41.29 -67.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.275 -0.89 . . . . 10.0 109.18 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.523 ' OD1' ' NH1' ' B' ' 42' ' ' ARG . 6.6 t0 -49.27 -48.63 45.77 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.472 ' HD1' ' C ' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -49.45 -58.9 4.3 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.634 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.589 ' HB2' ' OH ' ' A' ' 18' ' ' TYR . . . -40.66 -51.86 2.97 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 119.923 -0.711 . . . . 10.0 109.607 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.656 ' O ' ' HB ' ' A' ' 39' ' ' THR . 4.1 t -65.37 -56.23 16.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.291 -0.881 . . . . 10.0 109.791 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -39.73 -58.34 1.36 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.333 -0.854 . . . . 10.0 110.507 179.73 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.433 ' CE1' ' CD2' ' A' ' 41' ' ' LEU . 7.5 t80 -63.57 -76.96 0.06 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.29 -0.881 . . . . 10.0 110.527 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 17.9 m-85 -41.95 -60.57 1.36 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.294 -0.878 . . . . 10.0 110.768 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.656 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 17.1 m -39.91 -49.05 2.41 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.11 -0.994 . . . . 10.0 109.756 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -39.82 68.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 10.0 109.336 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.513 ' HA ' HD12 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -69.13 -22.17 63.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.5 -0.75 . . . . 10.0 109.577 179.439 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.474 ' HD3' ' CG ' ' B' ' 32' ' ' ASP . 0.0 OUTLIER -71.62 -29.43 64.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.321 -0.862 . . . . 10.0 109.594 179.458 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 44' ' ' ALA . 24.3 mm-40 -70.88 -15.61 62.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.434 -0.791 . . . . 10.0 110.052 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.644 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -42.02 -79.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.335 -0.853 . . . . 10.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.644 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.7 OUTLIER 14.49 94.71 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.18 0.514 . . . . 10.0 110.681 -179.066 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.489 ' NH2' ' HG3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 117.988 -1.006 . . . . 10.0 109.72 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 50.7 m170 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.25 0.548 . . . . 10.0 110.207 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 8.8 mmm -107.61 57.55 0.63 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 10.0 110.224 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.84 123.88 7.02 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.545 -1.422 . . . . 10.0 109.545 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -113.94 -145.09 0.39 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.213 -1.169 . . . . 10.0 110.119 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.693 ' O ' ' CG2' ' B' ' 5' ' ' ILE . 0.4 OUTLIER -136.14 107.58 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.201 -0.937 . . . . 10.0 110.012 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' B' ' 5' ' ' ILE . 0.0 OUTLIER 179.66 146.77 0.22 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.264 -0.897 . . . . 10.0 109.863 -179.723 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.96 ' O ' HD12 ' B' ' 7' ' ' ILE . 1.8 pp -37.59 131.16 0.86 Allowed Pre-proline 0 N--CA 1.493 1.72 0 O-C-N 121.361 -0.837 . . . . 10.0 110.275 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.74 ' O ' HD12 ' B' ' 11' ' ' LEU . 48.6 Cg_endo -75.45 111.21 3.25 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 123.956 1.503 . . . . 10.0 110.856 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' B' ' 7' ' ' ILE . 46.7 Cg_endo -73.84 -177.72 3.33 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 O-C-N 123.971 1.511 . . . . 10.0 110.202 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.487 ' O ' ' HG2' ' B' ' 13' ' ' GLU . . . 75.66 11.22 84.62 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.594 -1.402 . . . . 10.0 109.594 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.74 HD12 ' O ' ' B' ' 8' ' ' PRO . 0.1 OUTLIER -74.82 -26.49 59.75 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -1.133 . . . . 10.0 110.128 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.496 ' O ' ' C ' ' B' ' 13' ' ' GLU . 1.8 m -61.67 -65.91 0.62 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.377 -0.827 . . . . 10.0 110.424 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' B' ' 12' ' ' THR . 4.7 pt-20 -35.64 -47.99 0.5 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.601 -0.687 . . . . 10.0 110.577 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.67 HD12 HD23 ' A' ' 30' ' ' LEU . 1.1 mt -56.67 -61.7 2.24 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.099 -1.001 . . . . 10.0 110.137 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' B' ' 16' ' ' GLN . 11.7 mt -65.35 -56.68 11.26 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.22 -0.925 . . . . 10.0 110.081 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' B' ' 15' ' ' LEU . 1.7 tt0 -42.08 -57.8 2.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -0.937 . . . . 10.0 109.862 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . -46.55 -50.16 14.55 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 108.854 -1.698 . . . . 10.0 108.854 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.614 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 0.6 OUTLIER -42.29 -62.94 0.84 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.464 -1.021 . . . . 10.0 109.869 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -47.19 -24.82 0.77 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.375 -0.828 . . . . 10.0 110.229 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' B' ' 17' ' ' GLY . 16.9 t -89.85 -34.23 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.157 -0.964 . . . . 10.0 110.546 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.614 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.5 OUTLIER -73.26 -44.09 59.95 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.184 -0.948 . . . . 10.0 108.876 179.525 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.55 ' O ' ' N ' ' B' ' 26' ' ' GLN . 19.0 t -63.75 -52.88 51.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.899 -0.5 . . . . 10.0 110.102 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.543 ' HB2' ' O ' ' B' ' 19' ' ' THR . 2.0 tp -55.39 -26.33 40.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.26 -0.9 . . . . 10.0 109.975 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' B' ' 21' ' ' GLU . 0.0 OUTLIER -66.61 -13.2 60.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.298 -0.876 . . . . 10.0 110.265 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.57 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.0 OUTLIER -158.87 14.66 0.17 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.214 -0.929 . . . . 10.0 110.819 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.57 ' C ' ' O ' ' B' ' 25' ' ' GLN . 48.1 mt-30 25.71 56.19 0.38 Allowed Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.391 -0.818 . . . . 10.0 110.86 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.493 ' HD3' ' HG3' ' B' ' 25' ' ' GLN . 45.3 Cg_endo -71.1 119.65 6.45 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 O-C-N 124.026 1.54 . . . . 10.0 110.73 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -70.05 -1.17 8.27 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 123.921 1.485 . . . . 10.0 110.353 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.537 ' O ' ' C ' ' B' ' 30' ' ' LEU . 1.9 m-20 -100.39 27.77 5.5 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.406 -0.809 . . . . 10.0 110.224 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.728 HD23 HD12 ' A' ' 14' ' ' LEU . 2.2 tp -29.73 -61.55 0.15 Allowed 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.148 0.499 . . . . 10.0 110.333 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' B' ' 30' ' ' LEU . 17.3 t -41.25 -67.75 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.25 -0.907 . . . . 10.0 109.237 179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.474 ' CG ' ' HD3' ' A' ' 42' ' ' ARG . 6.7 t0 -49.26 -48.5 45.77 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 109.218 -0.66 . . . . 10.0 109.218 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.479 ' C ' ' HD1' ' B' ' 33' ' ' PHE . 0.5 OUTLIER -49.63 -58.66 4.84 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.601 -0.889 . . . . 10.0 108.601 178.697 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.579 ' HB2' ' OH ' ' B' ' 18' ' ' TYR . . . -40.67 -51.76 2.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.402 -0.811 . . . . 10.0 109.645 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.661 ' O ' ' HB ' ' B' ' 39' ' ' THR . 3.9 t -65.58 -56.42 15.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.135 -0.978 . . . . 10.0 109.679 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 35' ' ' VAL . 0.8 OUTLIER -39.67 -58.09 1.39 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.415 -0.803 . . . . 10.0 110.406 179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.431 ' CE1' ' CD2' ' B' ' 41' ' ' LEU . 7.5 t80 -63.93 -76.84 0.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -0.889 . . . . 10.0 110.557 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.548 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 17.4 m-85 -42.0 -60.57 1.37 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.295 -0.878 . . . . 10.0 110.652 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.661 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 16.7 m -40.18 -48.44 2.55 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.075 -1.016 . . . . 10.0 109.779 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -39.41 69.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 10.0 109.385 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.516 ' HA ' HD12 ' B' ' 41' ' ' LEU . 0.0 OUTLIER -69.52 -22.36 63.59 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.57 -0.706 . . . . 10.0 109.585 179.416 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.523 ' NH1' ' OD1' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -71.49 -29.31 64.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 10.0 109.431 179.512 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' B' ' 44' ' ' ALA . 26.0 mm-40 -70.88 -15.7 62.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.389 -0.819 . . . . 10.0 110.02 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.639 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -42.06 -79.44 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.293 -0.879 . . . . 10.0 110.33 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.639 ' C ' ' O ' ' B' ' 44' ' ' ALA . 0.8 OUTLIER 15.1 94.55 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.203 0.525 . . . . 10.0 110.736 -179.175 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' B' ' 46' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 117.933 -1.032 . . . . 10.0 109.846 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.4 m80 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.231 0.539 . . . . 10.0 110.103 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.43 88.36 6.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.179 -0.951 . . . . 10.0 110.154 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -177.8 137.7 3.5 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.365 -1.494 . . . . 10.0 109.365 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.456 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 7.1 p-80 -154.93 34.3 0.39 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.199 -1.177 . . . . 10.0 110.344 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tt -116.63 -176.18 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.881 . . . . 10.0 110.254 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.579 ' O ' ' C ' ' A' ' 7' ' ' ILE . 7.9 mt-30 -116.65 -146.73 0.4 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.285 -0.884 . . . . 10.0 110.167 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.579 ' C ' ' O ' ' A' ' 6' ' ' GLN . 3.2 mm -24.59 137.48 0.06 OUTLIER Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.782 -0.574 . . . . 10.0 110.578 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.621 ' HB2' ' HB2' ' A' ' 11' ' ' LEU . 43.7 Cg_endo -69.35 174.84 8.57 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 O-C-N 123.971 1.511 . . . . 10.0 110.881 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.784 ' C ' ' H ' ' A' ' 11' ' ' LEU . 41.7 Cg_endo -66.81 -151.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.718 0 O-C-N 123.98 1.516 . . . . 10.0 110.953 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 11' ' ' LEU . . . -53.72 15.57 0.01 OUTLIER Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.45 -1.46 . . . . 10.0 109.45 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.784 ' H ' ' C ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -35.79 -55.38 0.72 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.455 -1.027 . . . . 10.0 110.276 179.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 13' ' ' GLU . 24.5 m -68.34 -68.7 0.37 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.269 -0.895 . . . . 10.0 110.117 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 2.5 mt-10 -36.91 -46.81 0.66 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.587 -0.696 . . . . 10.0 110.344 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.427 HD22 HD23 ' A' ' 41' ' ' LEU . 34.4 mt -62.67 -56.38 18.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 10.0 110.095 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.042 HD11 ' CD2' ' B' ' 15' ' ' LEU . 0.1 OUTLIER -45.53 -71.52 0.07 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.314 -0.866 . . . . 10.0 110.163 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.872 ' O ' HG23 ' A' ' 20' ' ' VAL . 3.2 mp0 -42.11 -46.02 4.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.898 . . . . 10.0 109.964 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -57.77 -46.18 92.59 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.467 -1.453 . . . . 10.0 109.467 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -72.47 -45.39 59.73 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.047 -1.266 . . . . 10.0 109.481 179.684 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.41 -30.86 67.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -0.906 . . . . 10.0 109.583 179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 16' ' ' GLN . 76.4 t -72.48 -29.6 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 10.0 109.983 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.712 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.5 mt-10 -72.86 -27.65 62.04 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 119.481 -0.888 . . . . 10.0 109.205 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 18' ' ' TYR . 1.7 t -74.22 -35.03 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.719 -0.613 . . . . 10.0 109.894 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' A LEU . . . . . . . . . . . . . 80.9 mt -84.13 -18.13 37.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.881 . . . . 10.0 109.877 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -92.14 -66.54 0.92 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.403 -0.81 . . . . 10.0 110.18 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' OE1' ' CZ ' ' A' ' 33' ' ' PHE . 3.0 pt20 -81.07 -22.17 39.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 10.0 110.205 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER 41.09 81.88 0.24 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.361 -0.837 . . . . 10.0 110.016 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.628 ' HG3' ' CG ' ' A' ' 33' ' ' PHE . 44.0 Cg_endo -69.9 171.96 13.65 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 O-C-N 123.937 1.493 . . . . 10.0 110.619 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.5 -45.09 1.87 Allowed 'Trans proline' 0 C--N 1.304 -1.803 0 O-C-N 124.107 1.582 . . . . 10.0 110.53 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -128.77 124.45 35.52 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 10.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.567 HD22 ' HB2' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -69.99 -67.78 0.46 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.268 -0.895 . . . . 10.0 110.176 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.566 ' C ' ' O ' ' A' ' 30' ' ' LEU . 6.5 t -27.28 -61.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.499 -0.751 . . . . 10.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -62.61 -47.44 83.78 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.522 -0.736 . . . . 10.0 109.93 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.628 ' CG ' ' HG3' ' A' ' 27' ' ' PRO . 69.4 t80 -60.29 -55.31 35.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.231 -0.918 . . . . 10.0 109.484 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.567 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -55.4 -25.61 36.67 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.296 -0.878 . . . . 10.0 109.688 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.563 HG22 ' N ' ' B' ' 39' ' ' THR . 2.2 t -83.96 -46.64 18.09 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 O-C-N 121.319 -0.863 . . . . 10.0 109.692 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -58.63 -42.11 87.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.39 -0.818 . . . . 10.0 109.804 179.673 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 55.5 t80 -65.11 -67.75 0.41 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.881 . . . . 10.0 109.926 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.433 ' C ' ' CG2' ' B' ' 35' ' ' VAL . 7.2 m-85 -49.31 -47.13 47.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.261 -0.9 . . . . 10.0 110.206 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.571 ' N ' HG22 ' B' ' 35' ' ' VAL . 3.3 m -55.16 -38.99 68.98 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.189 -0.944 . . . . 10.0 110.059 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.9 ttt-85 -65.79 -34.96 79.37 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.942 . . . . 10.0 109.993 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.427 HD23 HD22 ' A' ' 14' ' ' LEU . 9.9 mp -65.26 -42.16 93.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.298 -0.876 . . . . 10.0 110.008 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -66.98 -25.15 66.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 10.0 109.822 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 1.2 tp10 -95.59 -10.24 30.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.367 -0.833 . . . . 10.0 109.635 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.672 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -81.29 -74.29 0.34 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.412 -0.805 . . . . 10.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.672 ' C ' ' O ' ' A' ' 44' ' ' ALA . 13.2 tpp180 -8.35 88.45 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 121.438 0.637 . . . . 10.0 111.306 -178.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' ALA . 4.5 ptt180 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 118.037 -0.982 . . . . 10.0 110.196 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 33.9 m80 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.143 0.497 . . . . 10.0 110.304 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.7 88.7 7.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.247 -0.908 . . . . 10.0 110.199 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.49 137.09 3.14 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.27 -1.532 . . . . 10.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.465 ' ND1' ' N ' ' B' ' 4' ' ' HIS . 6.5 p-80 -154.32 35.44 0.42 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.12 -1.224 . . . . 10.0 110.26 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 1.2 tt -117.46 -176.02 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.245 -0.909 . . . . 10.0 110.235 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.586 ' O ' ' C ' ' B' ' 7' ' ' ILE . 7.4 mt-30 -116.94 -146.62 0.4 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -0.896 . . . . 10.0 110.173 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.586 ' C ' ' O ' ' B' ' 6' ' ' GLN . 3.1 mm -24.29 137.14 0.06 OUTLIER Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 121.831 -0.543 . . . . 10.0 110.663 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.629 ' HB2' ' HB2' ' B' ' 11' ' ' LEU . 44.0 Cg_endo -69.39 174.91 8.5 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 O-C-N 123.961 1.506 . . . . 10.0 110.867 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.788 ' C ' ' H ' ' B' ' 11' ' ' LEU . 41.9 Cg_endo -66.93 -151.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 O-C-N 124.028 1.541 . . . . 10.0 110.992 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' B' ' 11' ' ' LEU . . . -53.6 15.16 0.01 OUTLIER Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.433 -1.467 . . . . 10.0 109.433 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.788 ' H ' ' C ' ' B' ' 9' ' ' PRO . 0.3 OUTLIER -35.89 -55.12 0.75 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.483 -1.01 . . . . 10.0 110.195 179.677 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.48 ' O ' ' C ' ' B' ' 13' ' ' GLU . 24.8 m -68.76 -68.27 0.41 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.173 -0.955 . . . . 10.0 110.156 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' B' ' 12' ' ' THR . 2.4 mt-10 -37.6 -47.24 0.92 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.546 -0.721 . . . . 10.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.443 HD22 HD23 ' B' ' 41' ' ' LEU . 35.7 mt -62.29 -56.48 18.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.325 -0.859 . . . . 10.0 110.1 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 1.042 ' CD2' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -45.13 -71.84 0.07 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 10.0 110.118 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.876 ' O ' HG23 ' B' ' 20' ' ' VAL . 3.1 mp0 -42.09 -45.86 4.09 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.295 -0.878 . . . . 10.0 109.998 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.524 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -57.58 -46.26 92.27 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.407 -1.477 . . . . 10.0 109.407 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.732 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -72.25 -45.54 59.74 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.188 -1.183 . . . . 10.0 109.617 179.595 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.42 -30.87 67.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.301 -0.874 . . . . 10.0 109.572 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.876 HG23 ' O ' ' B' ' 16' ' ' GLN . 75.1 t -72.37 -29.81 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 10.0 109.916 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.721 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.5 mt-10 -72.6 -27.66 62.31 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.176 -0.953 . . . . 10.0 109.197 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 18' ' ' TYR . 1.7 t -74.12 -35.24 40.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.629 -0.669 . . . . 10.0 109.995 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' B LEU . . . . . . . . . . . . . 81.0 mt -83.99 -17.78 39.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.277 -0.889 . . . . 10.0 109.916 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 0.0 OUTLIER -92.61 -66.56 0.92 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.33 -0.857 . . . . 10.0 110.123 179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.9 pt20 -80.97 -22.08 39.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.869 . . . . 10.0 110.208 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.3 OUTLIER 40.81 82.03 0.23 Allowed Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.271 -0.893 . . . . 10.0 110.012 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.63 ' HG3' ' CG ' ' B' ' 33' ' ' PHE . 44.0 Cg_endo -69.9 172.02 13.54 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 O-C-N 124.066 1.561 . . . . 10.0 110.685 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.53 -44.57 2.15 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 O-C-N 124.07 1.563 . . . . 10.0 110.501 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.42 125.15 35.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.24 -0.913 . . . . 10.0 110.1 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.569 ' O ' ' C ' ' B' ' 31' ' ' VAL . 0.2 OUTLIER -70.45 -68.16 0.45 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.904 . . . . 10.0 110.199 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.569 ' C ' ' O ' ' B' ' 30' ' ' LEU . 6.3 t -26.95 -61.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.576 -0.702 . . . . 10.0 110.313 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.52 -47.71 82.73 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.637 -0.664 . . . . 10.0 109.939 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.63 ' CG ' ' HG3' ' B' ' 27' ' ' PRO . 69.5 t80 -60.07 -55.29 35.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.218 -0.926 . . . . 10.0 109.553 179.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.557 ' HB2' HD22 ' B' ' 30' ' ' LEU . . . -55.46 -25.8 38.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.316 -0.865 . . . . 10.0 109.69 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.571 HG22 ' N ' ' A' ' 39' ' ' THR . 2.2 t -83.46 -46.82 18.42 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 O-C-N 121.431 -0.793 . . . . 10.0 109.584 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' B' ' 37' ' ' TYR . 0.5 OUTLIER -58.71 -42.36 88.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 10.0 109.896 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.481 ' N ' ' CG ' ' B' ' 36' ' ' GLU . 54.1 t80 -64.7 -68.08 0.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 10.0 109.966 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.407 ' C ' ' CG2' ' A' ' 35' ' ' VAL . 7.9 m-85 -49.26 -46.79 46.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.275 -0.891 . . . . 10.0 110.212 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.563 ' N ' HG22 ' A' ' 35' ' ' VAL . 3.3 m -55.22 -38.54 68.57 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 10.0 110.068 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 53.0 ttt-85 -66.5 -35.49 80.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.326 -0.859 . . . . 10.0 109.949 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.443 HD23 HD22 ' B' ' 14' ' ' LEU . 10.0 mp -64.61 -42.56 95.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.909 . . . . 10.0 110.124 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -66.65 -25.39 66.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.919 . . . . 10.0 109.863 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' B' ' 42' ' ' ARG . 1.2 tp10 -95.28 -10.65 29.65 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.374 -0.828 . . . . 10.0 109.649 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.672 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -81.07 -74.07 0.34 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 10.0 110.465 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.672 ' C ' ' O ' ' B' ' 44' ' ' ALA . 13.2 tpp180 -8.52 89.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.393 0.616 . . . . 10.0 111.268 -178.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' B' ' 44' ' ' ALA . 4.4 ptt180 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 118.044 -0.979 . . . . 10.0 110.237 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.08 0.467 . . . . 10.0 110.137 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -131.14 114.04 14.64 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.082 -1.011 . . . . 10.0 110.154 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.79 -144.0 8.99 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.53 -1.428 . . . . 10.0 109.53 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.495 ' ND1' ' N ' ' A' ' 4' ' ' HIS . 11.8 p-80 -156.54 144.46 19.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.254 -1.145 . . . . 10.0 110.152 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.463 HG23 HD13 ' A' ' 7' ' ' ILE . 1.3 tp -137.44 171.75 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 10.0 110.159 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.425 ' N ' HG23 ' A' ' 5' ' ' ILE . 2.0 tt0 -148.42 67.26 1.07 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.197 -0.939 . . . . 10.0 110.262 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.479 ' CD1' ' N ' ' A' ' 7' ' ' ILE . 1.2 mp -81.96 134.01 50.56 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.137 -0.977 . . . . 10.0 110.031 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HG2' ' HG ' ' A' ' 11' ' ' LEU . 45.1 Cg_endo -71.07 162.61 42.07 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 O-C-N 123.932 1.491 . . . . 10.0 110.728 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -74.24 160.47 42.27 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 O-C-N 124.083 1.57 . . . . 10.0 110.451 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.75 -36.3 3.28 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.581 -1.407 . . . . 10.0 109.581 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.7 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -77.52 -36.87 52.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.225 -1.162 . . . . 10.0 110.04 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 16.3 m -41.93 -74.72 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.279 -0.888 . . . . 10.0 110.06 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 12' ' ' THR . 14.1 tt0 -35.45 -51.87 0.63 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.634 -0.666 . . . . 10.0 110.274 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' A' ' 14' ' ' LEU . 9.2 mt -67.25 -64.74 0.79 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.154 -0.966 . . . . 10.0 110.038 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 18' ' ' TYR . 22.5 mt -50.95 -57.21 9.12 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 10.0 110.032 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 12' ' ' THR . 2.7 tt0 -43.9 -57.44 3.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.185 -0.947 . . . . 10.0 109.763 179.73 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.532 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -48.28 -48.42 26.8 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 108.705 -1.758 . . . . 10.0 108.705 179.499 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.721 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -39.13 -61.13 0.8 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.498 -1.001 . . . . 10.0 110.129 179.457 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.576 ' O ' ' HB2' ' A' ' 23' A LEU . 0.3 OUTLIER -50.87 -45.24 59.92 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.365 -0.834 . . . . 10.0 109.726 179.921 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.549 ' N ' HG22 ' A' ' 19' ' ' THR . 6.5 t -60.97 -27.4 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 10.0 110.304 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER -87.4 -56.23 3.45 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.307 -0.871 . . . . 10.0 109.859 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 18' ' ' TYR . 2.7 t -57.31 -20.22 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.692 -0.63 . . . . 10.0 110.468 -179.641 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 19' ' ' THR . 6.2 mp -85.78 -46.56 10.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.089 -1.007 . . . . 10.0 109.837 179.566 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -54.33 18.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.348 -0.845 . . . . 10.0 110.102 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 26' ' ' GLN . 9.4 mm-40 -77.93 -28.45 49.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 10.0 110.281 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 2.0 tt0 38.12 70.61 1.22 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.38 -0.825 . . . . 10.0 110.315 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.598 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 43.7 Cg_endo -69.68 164.5 34.22 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 O-C-N 124.044 1.549 . . . . 10.0 110.507 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.41 -38.9 7.89 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 O-C-N 123.994 1.523 . . . . 10.0 110.269 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -127.8 148.17 50.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.376 -0.828 . . . . 10.0 109.895 179.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.713 ' HG ' HD22 ' B' ' 11' ' ' LEU . 0.4 OUTLIER -89.88 -56.18 3.34 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.23 -0.919 . . . . 10.0 110.149 -179.658 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 30' ' ' LEU . 16.7 t -34.56 -59.5 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.421 -0.8 . . . . 10.0 109.894 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.415 ' HA ' HH11 ' B' ' 42' ' ' ARG . 3.5 t0 -59.47 -48.59 81.05 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.785 -0.572 . . . . 10.0 110.144 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.598 ' CD1' ' HG3' ' A' ' 27' ' ' PRO . 66.2 t80 -55.89 -33.67 64.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.123 -0.986 . . . . 10.0 109.505 179.534 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.693 ' HB1' ' CD2' ' B' ' 38' ' ' PHE . . . -64.99 -50.38 66.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.39 -0.819 . . . . 10.0 109.789 179.641 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.876 ' O ' ' HB ' ' A' ' 39' ' ' THR . 40.2 t -62.31 -38.25 80.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.408 -0.807 . . . . 10.0 110.644 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -38.19 83.68 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.04 -1.038 . . . . 10.0 110.762 -179.453 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 77.2 t80 -73.05 -70.57 0.35 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.104 -0.998 . . . . 10.0 110.688 -179.534 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.672 ' CD2' ' HB1' ' B' ' 34' ' ' ALA . 17.7 m-85 -51.61 -61.42 2.26 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.278 -0.889 . . . . 10.0 110.666 -179.495 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.876 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 8.2 m -41.34 -59.65 1.49 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.11 -0.994 . . . . 10.0 109.816 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -54.15 -27.82 36.06 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.39 -0.819 . . . . 10.0 109.807 179.709 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.5 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -70.06 -53.69 16.4 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.277 -0.89 . . . . 10.0 109.711 179.747 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.635 ' CB ' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -57.44 -42.98 83.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.292 -0.88 . . . . 10.0 109.996 179.591 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.642 ' O ' ' C ' ' A' ' 44' ' ' ALA . 43.7 mm-40 -100.78 12.48 37.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.502 -0.749 . . . . 10.0 110.58 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.642 ' C ' ' O ' ' A' ' 43' ' ' GLU . . . -20.5 -65.76 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 121.756 0.789 . . . . 10.0 110.753 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -38.83 158.77 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.244 0.545 . . . . 10.0 110.545 -179.201 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 118.004 -0.998 . . . . 10.0 110.238 -179.867 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.148 0.499 . . . . 10.0 110.168 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -131.39 114.32 14.82 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.083 -1.01 . . . . 10.0 110.172 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.4 -143.15 8.3 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.553 -1.419 . . . . 10.0 109.553 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.479 ' N ' ' ND1' ' B' ' 4' ' ' HIS . 12.7 p-80 -157.5 144.4 18.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -1.142 . . . . 10.0 110.134 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.47 HG23 HD13 ' B' ' 7' ' ' ILE . 1.3 tp -137.54 171.55 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.313 -0.867 . . . . 10.0 110.124 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.426 ' N ' HG23 ' B' ' 5' ' ' ILE . 2.0 tt0 -148.28 67.81 1.09 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.275 -0.891 . . . . 10.0 110.227 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.477 ' CD1' ' N ' ' B' ' 7' ' ' ILE . 1.2 mp -82.27 134.03 49.53 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.17 -0.956 . . . . 10.0 110.042 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.445 ' HG2' ' HG ' ' B' ' 11' ' ' LEU . 46.5 Cg_endo -70.96 162.52 42.4 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 O-C-N 124.044 1.549 . . . . 10.0 110.781 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -74.19 160.35 42.6 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 O-C-N 124.036 1.545 . . . . 10.0 110.46 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.76 -36.02 3.31 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.665 -1.374 . . . . 10.0 109.665 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.722 HD23 ' N ' ' B' ' 11' ' ' LEU . 0.7 OUTLIER -77.7 -37.08 50.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.131 -1.217 . . . . 10.0 110.057 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 16.3 m -41.41 -75.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.287 -0.883 . . . . 10.0 110.083 179.896 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' B' ' 12' ' ' THR . 14.0 tt0 -35.54 -51.79 0.64 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.585 -0.697 . . . . 10.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' B' ' 14' ' ' LEU . 9.2 mt -67.08 -64.6 0.82 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.257 -0.902 . . . . 10.0 110.039 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLN . 22.7 mt -51.29 -57.37 9.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.306 -0.871 . . . . 10.0 110.111 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.7 tt0 -43.68 -57.25 3.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.18 -0.95 . . . . 10.0 109.749 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -48.17 -49.07 25.45 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.769 -1.732 . . . . 10.0 108.769 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.735 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.4 OUTLIER -38.91 -60.98 0.79 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.487 -1.008 . . . . 10.0 110.139 179.572 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.579 ' O ' ' HB2' ' B' ' 23' B LEU . 0.3 OUTLIER -50.77 -45.41 59.02 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.25 -0.906 . . . . 10.0 109.769 179.778 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.553 ' N ' HG22 ' B' ' 19' ' ' THR . 6.4 t -61.09 -27.04 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.281 -0.887 . . . . 10.0 110.315 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' B' ' 17' ' ' GLY . 0.9 OUTLIER -87.79 -55.67 3.67 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.269 -0.894 . . . . 10.0 109.812 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.735 HG23 ' O ' ' B' ' 18' ' ' TYR . 2.8 t -57.71 -20.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.566 -0.709 . . . . 10.0 110.393 -179.592 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.579 ' HB2' ' O ' ' B' ' 19' ' ' THR . 6.0 mp -85.68 -46.78 10.41 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.19 -0.944 . . . . 10.0 109.842 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -54.54 17.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.869 . . . . 10.0 110.209 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' B' ' 26' ' ' GLN . 9.6 mm-40 -77.55 -28.54 51.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.899 . . . . 10.0 110.202 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' B' ' 22' ' ' VAL . 2.1 tt0 38.41 70.43 1.29 Allowed Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.316 -0.865 . . . . 10.0 110.274 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.6 ' HG3' ' CD1' ' B' ' 33' ' ' PHE . 44.0 Cg_endo -69.73 164.46 34.42 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 O-C-N 124.063 1.56 . . . . 10.0 110.561 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.36 -39.53 7.16 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 O-C-N 124.097 1.577 . . . . 10.0 110.303 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -127.2 148.2 50.19 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.354 -0.841 . . . . 10.0 109.895 179.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.673 ' HG ' HD22 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -89.66 -56.23 3.33 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.185 -0.947 . . . . 10.0 110.237 -179.657 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' B' ' 30' ' ' LEU . 17.4 t -34.67 -59.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 CA-C-O 121.808 0.813 . . . . 10.0 109.828 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.431 ' HA ' HH11 ' A' ' 42' ' ' ARG . 3.7 t0 -59.52 -48.42 81.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.734 -0.604 . . . . 10.0 110.161 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.6 ' CD1' ' HG3' ' B' ' 27' ' ' PRO . 67.3 t80 -56.15 -33.77 65.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.125 -0.984 . . . . 10.0 109.621 179.527 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.672 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -65.04 -50.35 66.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.406 -0.809 . . . . 10.0 109.853 179.699 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.875 ' O ' ' HB ' ' B' ' 39' ' ' THR . 42.8 t -62.59 -37.47 79.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.394 -0.816 . . . . 10.0 110.579 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -38.23 81.26 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.084 -1.01 . . . . 10.0 110.725 -179.569 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.465 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 76.1 t80 -72.93 -70.79 0.34 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.052 -1.03 . . . . 10.0 110.635 -179.516 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.693 ' CD2' ' HB1' ' A' ' 34' ' ' ALA . 18.5 m-85 -51.22 -61.53 2.18 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.238 -0.914 . . . . 10.0 110.688 -179.527 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.875 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 9.0 m -40.98 -60.03 1.3 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.04 -1.038 . . . . 10.0 109.794 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -53.9 -28.29 35.77 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -0.842 . . . . 10.0 109.827 179.703 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 0.5 OUTLIER -69.43 -54.14 15.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 10.0 109.869 179.595 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.566 ' CB ' ' CZ ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -57.08 -44.06 82.75 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.227 -0.921 . . . . 10.0 109.848 179.629 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.624 ' O ' ' C ' ' B' ' 44' ' ' ALA . 42.9 mm-40 -99.01 12.99 34.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.523 -0.736 . . . . 10.0 110.305 -179.623 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.624 ' C ' ' O ' ' B' ' 43' ' ' GLU . . . -20.66 -62.35 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.644 0.735 . . . . 10.0 111.092 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.491 ' O ' ' O ' ' B' ' 44' ' ' ALA . 0.6 OUTLIER -41.23 166.24 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.896 -0.722 . . . . 10.0 110.553 -178.624 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.996 -1.002 . . . . 10.0 110.25 179.598 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.1 m170 . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.266 0.555 . . . . 10.0 110.198 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -126.34 131.93 51.7 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.267 -0.895 . . . . 10.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.39 -159.65 28.08 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.665 -1.374 . . . . 10.0 109.665 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.25 172.23 13.22 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.233 -1.157 . . . . 10.0 110.209 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.9 mm -134.21 87.17 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.133 -0.979 . . . . 10.0 110.631 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.699 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -102.69 -160.12 0.76 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.292 -0.88 . . . . 10.0 109.757 179.508 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.047 ' O ' HD12 ' A' ' 7' ' ' ILE . 1.5 pp -124.49 24.98 0.12 Allowed Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 120.921 -1.112 . . . . 10.0 112.153 -179.757 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.819 ' CD ' ' N ' ' A' ' 7' ' ' ILE . 51.5 Cg_endo -73.37 117.43 5.08 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 O-C-N 123.402 1.211 . . . . 10.0 110.017 178.79 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.789 ' HG2' ' HG ' ' B' ' 30' ' ' LEU . 50.1 Cg_endo -73.97 110.73 3.14 Favored 'Trans proline' 0 C--N 1.302 -1.874 0 O-C-N 123.733 1.386 . . . . 10.0 110.789 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.541 ' O ' ' HB2' ' A' ' 14' ' ' LEU . . . 43.06 16.19 0.03 OUTLIER Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.629 -1.388 . . . . 10.0 109.629 -179.779 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . 11.0 tp -73.2 -51.87 16.18 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.079 -1.247 . . . . 10.0 110.451 -179.698 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 24.1 m -47.75 -79.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.157 -0.965 . . . . 10.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.81 -69.29 0.14 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.22 -0.925 . . . . 10.0 110.669 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.548 ' HB3' ' CE1' ' A' ' 38' ' ' PHE . 86.9 mt -45.48 -65.54 0.52 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.195 -0.941 . . . . 10.0 110.364 -179.683 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.05 HD11 HD11 ' B' ' 15' ' ' LEU . 4.0 tp -57.91 -72.91 0.08 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.189 -0.944 . . . . 10.0 110.558 -179.618 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -39.66 -31.25 0.09 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 10.0 110.242 -179.864 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.539 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -82.0 -47.04 6.37 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.607 -1.397 . . . . 10.0 109.607 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.815 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -73.39 -36.21 66.0 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.047 -1.267 . . . . 10.0 109.77 179.855 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.53 ' HA ' HD21 ' B' ' 11' ' ' LEU . 22.4 m -62.34 -40.46 96.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 10.0 109.922 179.683 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 3.5 t -65.48 -33.7 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.327 -0.858 . . . . 10.0 110.112 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.7 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.3 mt-10 -65.72 -50.53 64.51 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.129 -0.982 . . . . 10.0 108.996 179.539 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 18' ' ' TYR . 4.7 t -51.28 -46.95 34.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.383 0.611 . . . . 10.0 110.068 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.977 ' HA ' HD11 ' B' ' 7' ' ' ILE . 3.8 tp -73.83 -11.79 60.48 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.366 -0.834 . . . . 10.0 110.377 -179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.536 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -98.03 12.08 35.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.195 -0.941 . . . . 10.0 110.607 -179.821 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.68 ' O ' ' C ' ' A' ' 26' ' ' GLN . 0.8 OUTLIER -172.3 27.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.999 -1.063 . . . . 10.0 110.797 179.822 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.68 ' C ' ' O ' ' A' ' 25' ' ' GLN . 3.4 tt0 8.03 78.82 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.629 -0.669 . . . . 10.0 111.183 179.838 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.492 ' HG2' ' HB2' ' A' ' 30' ' ' LEU . 43.3 Cg_endo -69.87 132.26 22.8 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 O-C-N 123.985 1.519 . . . . 10.0 110.64 -179.802 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.99 -33.59 19.15 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 O-C-N 123.955 1.503 . . . . 10.0 110.293 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' ' C ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -107.31 26.32 10.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.262 -0.899 . . . . 10.0 109.702 179.786 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.812 ' HG ' ' HG2' ' B' ' 9' ' ' PRO . 0.7 OUTLIER -31.17 -61.71 0.19 Allowed 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.534 -179.633 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.519 ' C ' ' O ' ' A' ' 30' ' ' LEU . 13.3 t -34.33 -60.41 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.479 -0.763 . . . . 10.0 109.669 179.631 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.482 ' O ' ' HB ' ' A' ' 35' ' ' VAL . 3.1 t0 -59.1 -45.03 91.9 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.735 -0.603 . . . . 10.0 109.904 179.65 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' LEU . 17.5 t80 -61.56 -48.51 80.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.157 -0.964 . . . . 10.0 109.416 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.66 -28.18 31.68 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.394 -0.816 . . . . 10.0 109.535 179.391 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.729 HG21 ' HA ' ' B' ' 39' ' ' THR . 3.4 t -77.82 -54.89 11.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 O-C-N 121.344 -0.847 . . . . 10.0 109.573 179.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 3.0 mt-10 -53.01 -36.06 60.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.398 -0.814 . . . . 10.0 109.787 179.493 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 18' ' ' TYR . 9.0 t80 -59.69 -63.53 1.27 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.32 -0.862 . . . . 10.0 109.994 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 22.8 m-85 -69.01 -53.54 20.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 10.0 110.06 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.698 ' HA ' HG21 ' B' ' 35' ' ' VAL . 4.4 m -43.56 -31.0 0.65 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.15 -0.969 . . . . 10.0 109.633 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 11.4 mtt180 -74.23 -41.35 61.47 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.374 -0.829 . . . . 10.0 110.002 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HA ' HD13 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -52.45 -29.12 23.0 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 10.0 110.07 179.756 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -35.84 71.83 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -0.858 . . . . 10.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -34.28 71.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.919 . . . . 10.0 110.002 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -68.28 -69.95 0.29 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 10.0 110.35 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 44' ' ' ALA . 14.4 mmt180 -35.84 155.8 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.267 0.556 . . . . 10.0 110.761 -178.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 45' ' ' ARG . 5.4 mpt_? . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 117.956 -1.021 . . . . 10.0 110.181 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 9.3 m170 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.25 0.548 . . . . 10.0 110.195 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -126.16 132.63 51.78 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.279 -0.888 . . . . 10.0 110.175 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.85 -160.13 28.17 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.547 -1.421 . . . . 10.0 109.547 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.64 171.45 14.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -1.166 . . . . 10.0 110.09 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 29.7 mm -133.4 87.18 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.296 -0.878 . . . . 10.0 110.551 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.7 ' HB3' ' HD3' ' B' ' 8' ' ' PRO . 0.0 OUTLIER -102.52 -159.71 0.74 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.178 -0.952 . . . . 10.0 109.638 179.445 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 1.062 ' O ' HD12 ' B' ' 7' ' ' ILE . 1.5 pp -124.82 24.38 0.11 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.891 -1.13 . . . . 10.0 112.06 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.826 ' CD ' ' N ' ' B' ' 7' ' ' ILE . 51.4 Cg_endo -72.83 117.28 5.06 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 O-C-N 123.405 1.213 . . . . 10.0 110.142 178.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.812 ' HG2' ' HG ' ' A' ' 30' ' ' LEU . 48.2 Cg_endo -73.82 110.66 3.12 Favored 'Trans proline' 0 C--N 1.302 -1.883 0 O-C-N 123.762 1.401 . . . . 10.0 110.789 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.541 ' O ' ' HB2' ' B' ' 14' ' ' LEU . . . 43.07 16.23 0.03 OUTLIER Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.555 -1.418 . . . . 10.0 109.555 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.615 ' HB3' ' HB2' ' B' ' 8' ' ' PRO . 10.9 tp -73.14 -52.52 13.88 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.113 -1.227 . . . . 10.0 110.409 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.512 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 25.1 m -47.13 -79.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.136 -0.977 . . . . 10.0 110.405 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -69.63 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.918 . . . . 10.0 110.562 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' B' ' 10' ' ' GLY . 87.0 mt -45.07 -65.51 0.52 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.213 -0.93 . . . . 10.0 110.415 -179.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 1.05 HD11 HD11 ' A' ' 15' ' ' LEU . 3.9 tp -58.06 -72.94 0.08 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.229 -0.919 . . . . 10.0 110.483 -179.623 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -39.59 -31.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.153 -0.967 . . . . 10.0 110.261 -179.831 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -81.99 -46.91 6.44 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.677 -1.369 . . . . 10.0 109.677 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.803 ' O ' HG23 ' B' ' 22' ' ' VAL . 0.1 OUTLIER -73.59 -36.23 65.51 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.123 -1.222 . . . . 10.0 109.691 179.83 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.492 ' HA ' HD21 ' A' ' 11' ' ' LEU . 22.0 m -62.17 -40.27 95.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.829 . . . . 10.0 109.965 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' B' ' 24' ' ' ARG . 3.4 t -65.79 -33.59 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.304 -0.872 . . . . 10.0 110.083 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.712 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.3 mt-10 -65.73 -50.46 64.71 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.11 -0.994 . . . . 10.0 109.047 179.559 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.803 HG23 ' O ' ' B' ' 18' ' ' TYR . 4.6 t -51.06 -47.82 30.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 CA-C-O 121.361 0.601 . . . . 10.0 110.119 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.991 ' HA ' HD11 ' A' ' 7' ' ' ILE . 3.8 tp -73.13 -12.65 60.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.379 -0.826 . . . . 10.0 110.334 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 1.1 tpt180 -97.08 11.91 34.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.164 -0.96 . . . . 10.0 110.64 -179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.678 ' O ' ' C ' ' B' ' 26' ' ' GLN . 0.7 OUTLIER -172.16 27.05 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.114 -0.991 . . . . 10.0 110.69 179.799 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.678 ' C ' ' O ' ' B' ' 25' ' ' GLN . 3.5 tt0 8.18 78.79 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.542 -0.724 . . . . 10.0 111.215 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' B' ' 30' ' ' LEU . 43.1 Cg_endo -69.98 131.96 22.0 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 O-C-N 123.96 1.505 . . . . 10.0 110.511 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.08 -33.82 18.28 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 123.993 1.523 . . . . 10.0 110.244 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.7 OUTLIER -106.85 26.3 10.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.309 -0.87 . . . . 10.0 109.7 179.693 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.789 ' HG ' ' HG2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -31.18 -61.63 0.19 Allowed 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.458 -179.624 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.516 ' C ' ' O ' ' B' ' 30' ' ' LEU . 14.2 t -34.59 -60.55 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 CA-C-O 121.762 0.791 . . . . 10.0 109.603 179.764 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.478 ' O ' ' HB ' ' B' ' 35' ' ' VAL . 2.7 t0 -58.76 -44.97 90.74 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.717 -0.614 . . . . 10.0 109.915 179.602 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.406 ' HD2' HD23 ' B' ' 30' ' ' LEU . 17.6 t80 -61.59 -48.23 81.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.149 -0.969 . . . . 10.0 109.386 179.293 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.01 -28.12 36.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.355 -0.841 . . . . 10.0 109.558 179.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 39' ' ' THR . 3.2 t -77.69 -54.45 12.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 O-C-N 121.427 -0.795 . . . . 10.0 109.501 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' B' ' 40' ' ' ARG . 3.1 mt-10 -53.6 -36.64 62.19 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.267 -0.895 . . . . 10.0 109.801 179.551 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' B' ' 18' ' ' TYR . 9.1 t80 -59.0 -63.16 1.4 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.346 -0.846 . . . . 10.0 110.006 179.852 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' B' ' 14' ' ' LEU . 22.9 m-85 -69.3 -53.35 20.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.244 -0.91 . . . . 10.0 110.056 179.863 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.729 ' HA ' HG21 ' A' ' 35' ' ' VAL . 4.5 m -43.77 -30.47 0.66 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.102 -0.999 . . . . 10.0 109.722 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' B' ' 36' ' ' GLU . 10.9 mtt180 -74.7 -41.7 59.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.408 -0.807 . . . . 10.0 109.897 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' B' ' 41' ' ' LEU . 0.2 OUTLIER -52.41 -29.44 24.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 10.0 109.968 179.871 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -57.66 -36.07 71.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 10.0 110.194 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -33.87 70.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.196 -0.94 . . . . 10.0 110.063 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -68.47 -69.69 0.31 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.337 -0.852 . . . . 10.0 110.439 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' B' ' 44' ' ' ALA . 14.8 mmt180 -36.08 155.95 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.288 0.566 . . . . 10.0 110.692 -178.681 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' B' ' 45' ' ' ARG . 5.4 mpt_? . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.947 -1.025 . . . . 10.0 110.188 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 2' ' ' MET . 23.1 p80 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.261 0.553 . . . . 10.0 110.225 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 1' ' ' HIS . 0.0 OUTLIER -41.99 -76.71 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 10.0 110.271 -179.948 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.18 -96.42 0.1 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.556 -1.418 . . . . 10.0 109.556 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -111.53 30.07 7.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.279 -1.13 . . . . 10.0 110.218 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mm -113.68 141.74 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.168 -0.958 . . . . 10.0 110.118 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.95 148.24 47.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 10.0 110.243 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.8 mm -91.69 114.39 61.77 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.21 -0.931 . . . . 10.0 110.182 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.841 ' HB2' HD13 ' A' ' 11' ' ' LEU . 46.5 Cg_endo -71.6 128.71 14.69 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 O-C-N 123.953 1.501 . . . . 10.0 110.624 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -74.13 131.35 15.28 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 O-C-N 123.974 1.513 . . . . 10.0 110.643 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.92 -21.01 12.41 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.76 -1.336 . . . . 10.0 109.76 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.841 HD13 ' HB2' ' A' ' 8' ' ' PRO . 2.1 mp -77.2 -71.31 0.41 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.169 -1.195 . . . . 10.0 110.127 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.538 HG22 ' N ' ' A' ' 13' ' ' GLU . 1.3 m -40.62 -68.44 0.18 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.32 -0.862 . . . . 10.0 110.069 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.538 ' N ' HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER -40.91 -55.65 2.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.469 -0.77 . . . . 10.0 110.387 179.909 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.512 HD23 HD23 ' B' ' 30' ' ' LEU . 54.6 tp -60.07 -60.74 3.35 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.186 -0.946 . . . . 10.0 110.449 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.707 HD21 ' CE2' ' B' ' 18' ' ' TYR . 73.0 mt -54.14 -68.16 0.2 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.258 -0.901 . . . . 10.0 110.386 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.497 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 0.9 OUTLIER -39.39 -44.54 1.35 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.207 -0.933 . . . . 10.0 110.048 -179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.464 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -47.08 -47.64 20.21 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 108.958 -1.657 . . . . 10.0 108.958 179.604 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.845 ' HE1' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -73.71 -47.49 39.09 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.138 -1.213 . . . . 10.0 109.0 179.348 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.748 HG23 ' HG3' ' B' ' 8' ' ' PRO . 8.5 m -50.52 -33.01 19.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.788 -1.195 . . . . 10.0 110.527 179.032 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 16' ' ' GLN . 65.4 t -74.69 -34.91 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.134 -0.979 . . . . 10.0 110.841 -179.454 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.784 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -66.52 -53.74 31.56 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.084 -1.01 . . . . 10.0 109.361 179.93 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.845 HG21 ' HE1' ' A' ' 18' ' ' TYR . 6.1 t -48.36 -45.98 13.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.793 -0.567 . . . . 10.0 110.17 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.764 HD11 ' HD3' ' B' ' 8' ' ' PRO . 14.2 mt -60.28 -29.64 68.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.228 -0.92 . . . . 10.0 109.826 179.652 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.71 24.4 1.47 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.263 -0.898 . . . . 10.0 110.573 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -167.26 -37.24 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.157 -0.964 . . . . 10.0 110.128 179.595 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 2.0 tm0? 57.01 80.58 0.28 Allowed Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 121.451 -0.781 . . . . 10.0 110.212 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.461 ' CD ' HG13 ' A' ' 22' ' ' VAL . 43.0 Cg_endo -70.0 169.33 19.49 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 O-C-N 124.015 1.534 . . . . 10.0 110.532 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.467 ' HG2' ' OD1' ' A' ' 29' ' ' ASP . 43.2 Cg_endo -69.4 -8.02 22.5 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 124.067 1.562 . . . . 10.0 110.482 179.843 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.467 ' OD1' ' HG2' ' A' ' 28' ' ' PRO . 0.5 OUTLIER -171.87 130.07 0.65 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.277 -0.89 . . . . 10.0 110.055 179.958 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.694 HD11 ' CE1' ' A' ' 18' ' ' TYR . 19.3 tp -78.12 -55.99 4.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.197 -0.939 . . . . 10.0 110.566 -179.704 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.603 HG12 ' HG2' ' B' ' 42' ' ' ARG . 23.4 t -29.52 -67.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 CA-C-O 121.662 0.744 . . . . 10.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.22 -42.8 63.87 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.649 -0.657 . . . . 10.0 110.088 179.714 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 4.0 t80 -62.89 -47.64 82.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.081 -1.012 . . . . 10.0 109.478 179.338 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.03 -32.49 47.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.356 -0.84 . . . . 10.0 109.701 179.385 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.795 HG23 ' HB3' ' B' ' 38' ' ' PHE . 2.8 t -87.88 -54.48 7.9 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 121.267 -0.895 . . . . 10.0 110.208 -179.77 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -38.13 55.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.282 -0.886 . . . . 10.0 110.237 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.494 ' CE1' ' OE1' ' A' ' 21' ' ' GLU . 85.3 t80 -71.68 -55.48 7.62 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 10.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.784 ' HB3' HG23 ' B' ' 35' ' ' VAL . 8.2 m-85 -68.86 -53.25 22.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.139 -0.976 . . . . 10.0 110.314 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.58 ' HA ' HG21 ' B' ' 35' ' ' VAL . 17.9 m -45.43 -43.49 11.37 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.06 -1.025 . . . . 10.0 109.884 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -41.59 89.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.275 -0.891 . . . . 10.0 109.877 179.633 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 9.4 mt -56.37 -37.21 69.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.181 -0.949 . . . . 10.0 109.721 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.576 ' HG2' HG12 ' B' ' 31' ' ' VAL . 9.3 mmm180 -72.06 -27.81 62.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.284 -0.885 . . . . 10.0 109.801 179.626 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.483 ' OE2' ' O ' ' A' ' 43' ' ' GLU . 1.3 tp10 -98.11 -2.46 40.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.42 -0.8 . . . . 10.0 109.757 179.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.573 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . -37.18 -66.3 0.25 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.312 -0.868 . . . . 10.0 110.508 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.573 ' C ' ' O ' ' A' ' 44' ' ' ALA . 1.6 tpp85 -26.76 125.22 0.07 Allowed 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 121.31 0.576 . . . . 10.0 110.683 -178.776 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 117.908 -1.044 . . . . 10.0 110.163 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' B' ' 2' ' ' MET . 22.6 p80 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.247 0.546 . . . . 10.0 110.199 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . 0.412 ' C ' ' O ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER -42.08 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.294 -0.879 . . . . 10.0 110.275 -179.952 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.56 -96.84 0.1 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.554 -1.418 . . . . 10.0 109.554 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -110.99 29.82 7.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.323 -1.104 . . . . 10.0 110.253 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mm -113.64 142.49 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.298 -0.876 . . . . 10.0 110.141 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.64 148.37 47.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.331 -0.856 . . . . 10.0 110.235 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 11.3 mm -91.7 114.8 63.07 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.214 -0.929 . . . . 10.0 110.138 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.839 ' HB2' HD13 ' B' ' 11' ' ' LEU . 49.9 Cg_endo -72.07 128.63 14.16 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 123.971 1.511 . . . . 10.0 110.545 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -74.15 130.97 14.78 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 124.013 1.533 . . . . 10.0 110.76 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.98 -20.51 15.42 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.67 -1.372 . . . . 10.0 109.67 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.839 HD13 ' HB2' ' B' ' 8' ' ' PRO . 2.2 mp -77.58 -71.44 0.41 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.192 -1.181 . . . . 10.0 110.24 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.544 HG22 ' N ' ' B' ' 13' ' ' GLU . 1.3 m -40.21 -68.3 0.18 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.405 -0.81 . . . . 10.0 110.167 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.544 ' N ' HG22 ' B' ' 12' ' ' THR . 0.0 OUTLIER -41.05 -55.86 2.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.467 -0.771 . . . . 10.0 110.303 179.899 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.622 HD23 HD23 ' A' ' 30' ' ' LEU . 55.7 tp -59.67 -60.88 3.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.289 -0.882 . . . . 10.0 110.445 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.718 HD21 ' CE2' ' A' ' 18' ' ' TYR . 73.2 mt -54.02 -68.38 0.18 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.243 -0.911 . . . . 10.0 110.411 -179.863 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.5 ' HA ' ' HB ' ' B' ' 19' ' ' THR . 0.9 OUTLIER -39.2 -44.69 1.25 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.254 -0.904 . . . . 10.0 110.058 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.469 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -46.95 -47.34 19.68 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.951 -1.66 . . . . 10.0 108.951 179.562 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.837 ' CD1' ' C ' ' B' ' 18' ' ' TYR . 0.0 OUTLIER -74.09 -47.97 32.84 Favored 'General case' 0 C--N 1.308 -1.232 0 O-C-N 121.132 -1.217 . . . . 10.0 108.978 179.411 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.678 HG23 ' HG3' ' A' ' 8' ' ' PRO . 8.8 m -50.24 -32.76 17.51 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.819 -1.175 . . . . 10.0 110.519 178.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 16' ' ' GLN . 61.5 t -75.02 -34.49 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.163 -0.961 . . . . 10.0 110.887 -179.498 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.783 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 0.7 OUTLIER -66.97 -53.7 29.04 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.098 -1.002 . . . . 10.0 109.214 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.824 HG21 ' HE1' ' B' ' 18' ' ' TYR . 6.5 t -48.28 -46.26 13.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.766 -0.583 . . . . 10.0 110.077 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.699 HD11 ' HD3' ' A' ' 8' ' ' PRO . 14.2 mt -60.08 -29.34 68.5 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.195 -0.941 . . . . 10.0 109.89 179.648 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.78 23.97 1.58 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 10.0 110.516 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.412 ' CG ' ' N ' ' B' ' 26' ' ' GLN . 0.5 OUTLIER -166.98 -37.01 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.221 -0.925 . . . . 10.0 110.211 179.676 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' B' ' 25' ' ' GLN . 2.0 tm0? 57.07 80.72 0.28 Allowed Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.403 -0.811 . . . . 10.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.462 ' CD ' HG13 ' B' ' 22' ' ' VAL . 42.9 Cg_endo -70.06 169.02 20.28 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 O-C-N 124.072 1.564 . . . . 10.0 110.543 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.467 ' HG2' ' OD1' ' B' ' 29' ' ' ASP . 42.4 Cg_endo -69.48 -7.4 20.87 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 O-C-N 123.956 1.503 . . . . 10.0 110.387 179.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.467 ' OD1' ' HG2' ' B' ' 28' ' ' PRO . 0.5 OUTLIER -172.27 130.73 0.6 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.237 -0.914 . . . . 10.0 109.918 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.688 HD11 ' OH ' ' B' ' 18' ' ' TYR . 17.0 tp -79.05 -56.29 4.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.883 . . . . 10.0 110.612 -179.705 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.584 ' C ' ' O ' ' B' ' 30' ' ' LEU . 25.0 t -29.19 -67.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.473 -0.767 . . . . 10.0 110.293 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.47 -43.1 64.78 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.596 -0.69 . . . . 10.0 110.109 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' B' ' 33' ' ' PHE . 4.0 t80 -62.66 -47.42 83.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.119 -0.988 . . . . 10.0 109.574 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.97 -32.86 48.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.318 -0.864 . . . . 10.0 109.796 179.285 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.784 HG23 ' HB3' ' A' ' 38' ' ' PHE . 2.8 t -87.85 -54.22 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.23 -0.919 . . . . 10.0 110.162 -179.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -38.74 57.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.22 -0.925 . . . . 10.0 110.111 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.484 ' CE1' ' OE1' ' B' ' 21' ' ' GLU . 84.7 t80 -71.12 -55.79 7.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.173 -0.955 . . . . 10.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.795 ' HB3' HG23 ' A' ' 35' ' ' VAL . 8.5 m-85 -68.62 -52.71 28.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.262 -0.899 . . . . 10.0 110.416 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.639 ' HA ' HG21 ' A' ' 35' ' ' VAL . 16.8 m -45.88 -43.5 13.69 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.158 -0.964 . . . . 10.0 109.856 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -41.93 88.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.253 -0.905 . . . . 10.0 109.794 179.556 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' B' ' 38' ' ' PHE . 9.4 mt -56.19 -37.57 69.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.223 -0.923 . . . . 10.0 109.798 179.61 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.603 ' HG2' HG12 ' A' ' 31' ' ' VAL . 9.3 mmm180 -71.73 -27.89 63.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.251 -0.906 . . . . 10.0 109.902 179.685 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.487 ' O ' ' OE2' ' B' ' 43' ' ' GLU . 1.4 tp10 -98.29 -2.19 40.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.335 -0.853 . . . . 10.0 109.832 179.835 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.577 ' O ' ' C ' ' B' ' 45' ' ' ARG . . . -37.3 -66.07 0.26 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.386 -0.822 . . . . 10.0 110.619 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' B' ' 44' ' ' ALA . 1.6 tpp85 -27.03 125.44 0.07 Allowed 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 121.276 0.56 . . . . 10.0 110.74 -178.88 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' B' ' 46' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 118.003 -0.998 . . . . 10.0 110.133 -179.872 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.282 0.563 . . . . 10.0 110.368 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -112.68 74.55 0.87 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.176 -0.952 . . . . 10.0 110.03 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' MET . . . 43.6 -148.96 0.77 Allowed Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.637 -1.385 . . . . 10.0 109.637 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.491 ' C ' HD12 ' A' ' 5' ' ' ILE . 4.0 m-70 -107.08 134.9 49.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.22 -1.165 . . . . 10.0 110.204 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.522 ' CG2' ' N ' ' A' ' 6' ' ' GLN . 0.7 OUTLIER -151.87 169.26 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.907 . . . . 10.0 110.005 179.891 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.522 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 1.3 mt-30 -130.35 112.3 13.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.27 -0.894 . . . . 10.0 110.238 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.557 HG13 HG23 ' B' ' 19' ' ' THR . 1.2 mp -55.2 123.71 49.97 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.206 -0.934 . . . . 10.0 110.114 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.21 160.63 48.39 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 O-C-N 123.88 1.463 . . . . 10.0 110.756 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.06 178.99 5.82 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 O-C-N 124.042 1.548 . . . . 10.0 110.285 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.14 -43.2 2.96 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.325 -1.51 . . . . 10.0 109.325 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.814 HD11 HD22 ' A' ' 15' ' ' LEU . 2.4 tm? -71.37 -52.97 15.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.293 -1.122 . . . . 10.0 109.97 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' ' 16' ' ' GLN . 63.3 m -44.65 -50.21 9.95 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.244 -0.91 . . . . 10.0 110.046 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' THR . 1.6 tp10 -39.31 -59.66 1.02 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.435 -0.79 . . . . 10.0 110.315 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 14' ' ' LEU . 1.6 mm? -56.14 -61.77 2.16 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.344 -0.848 . . . . 10.0 110.195 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.814 HD22 HD11 ' A' ' 11' ' ' LEU . 6.9 mp -54.77 -58.75 6.33 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.256 -0.902 . . . . 10.0 110.307 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -40.35 -53.13 2.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.183 -0.948 . . . . 10.0 109.64 179.746 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' GLU . . . -40.9 -55.16 3.44 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.727 -1.749 . . . . 10.0 108.727 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.613 ' HA ' ' HG3' ' A' ' 21' ' ' GLU . 1.2 t80 -46.41 -65.58 0.53 Allowed 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.256 -1.144 . . . . 10.0 110.046 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 23' A LEU . 1.2 m -42.72 -37.61 1.8 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.385 -0.822 . . . . 10.0 110.093 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 16' ' ' GLN . 43.9 t -70.98 -25.62 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.337 -0.852 . . . . 10.0 110.224 -179.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.613 ' HG3' ' HA ' ' A' ' 18' ' ' TYR . 1.0 OUTLIER -88.77 -56.03 3.46 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.136 -0.978 . . . . 10.0 109.405 179.72 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.5 ' HA ' ' CD ' ' A' ' 27' ' ' PRO . 11.9 t -50.61 -22.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.603 -0.686 . . . . 10.0 110.046 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' A LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 19' ' ' THR . 4.0 mp -90.07 -37.14 14.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.367 -0.833 . . . . 10.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -76.16 5.76 6.37 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.272 -0.893 . . . . 10.0 110.993 -179.415 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.642 ' O ' ' C ' ' A' ' 26' ' ' GLN . 2.4 pt20 -162.35 16.05 0.09 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.926 -1.109 . . . . 10.0 110.987 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.642 ' C ' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER 17.95 77.16 0.15 Allowed Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.408 -0.808 . . . . 10.0 110.803 179.886 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.5 ' CD ' ' HA ' ' A' ' 22' ' ' VAL . 43.3 Cg_endo -69.41 168.73 20.27 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 123.984 1.518 . . . . 10.0 110.728 -179.563 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.18 -51.75 0.41 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 O-C-N 124.042 1.548 . . . . 10.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -151.26 144.61 24.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.266 -0.896 . . . . 10.0 110.105 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.758 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -70.21 -50.06 43.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 10.0 109.468 179.8 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.166 HG13 ' NH1' ' B' ' 42' ' ' ARG . 72.4 t -23.35 -72.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 121.658 0.742 . . . . 10.0 110.771 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -60.51 -58.52 8.15 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.515 -0.741 . . . . 10.0 109.585 179.664 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -43.52 -62.9 0.94 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 10.0 108.925 178.908 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.605 ' O ' ' CD2' ' A' ' 38' ' ' PHE . . . -40.4 -45.24 2.14 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.499 -0.751 . . . . 10.0 110.14 179.551 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.73 ' O ' ' HB ' ' A' ' 39' ' ' THR . 3.9 t -78.44 -50.42 19.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.188 -0.945 . . . . 10.0 110.662 -179.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.539 ' HG3' ' N ' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -58.64 -46.67 86.6 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.196 -0.94 . . . . 10.0 110.609 -179.427 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.543 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 4.1 t80 -68.7 -57.87 5.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.987 -1.07 . . . . 10.0 110.247 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.728 ' O ' ' NE ' ' A' ' 42' ' ' ARG . 10.5 m-85 -56.28 -70.05 0.13 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.287 -0.883 . . . . 10.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.73 ' HB ' ' O ' ' A' ' 35' ' ' VAL . 1.8 m -39.07 -29.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.067 -1.02 . . . . 10.0 109.952 179.786 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -77.27 -35.8 54.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.283 -0.885 . . . . 10.0 109.948 179.495 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.736 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -57.97 -61.09 2.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 10.0 109.917 179.751 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 1.184 ' NH1' HG13 ' B' ' 31' ' ' VAL . 0.0 OUTLIER -37.32 -40.08 0.32 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.393 -0.817 . . . . 10.0 110.014 -179.647 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.506 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 2.0 mt-10 -86.51 14.39 6.88 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.328 -0.858 . . . . 10.0 110.091 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.706 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . -43.94 -63.9 0.77 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.444 -0.785 . . . . 10.0 110.547 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.76 ' N ' ' HD3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -25.89 91.26 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 121.993 0.901 . . . . 10.0 111.044 -178.598 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 44' ' ' ALA . 1.6 tpt180 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 120.933 -1.104 . . . . 10.0 110.242 -179.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.208 0.528 . . . . 10.0 110.332 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . 0.433 ' O ' ' C ' ' B' ' 3' ' ' GLY . 0.0 OUTLIER -113.39 74.62 0.87 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.252 -0.905 . . . . 10.0 110.136 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' B' ' 2' ' ' MET . . . 43.73 -149.01 0.8 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.467 -1.453 . . . . 10.0 109.467 -179.872 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.49 ' C ' HD12 ' B' ' 5' ' ' ILE . 4.2 m-70 -107.28 135.1 49.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.284 -1.127 . . . . 10.0 110.175 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.527 ' CG2' ' N ' ' B' ' 6' ' ' GLN . 0.7 OUTLIER -151.99 169.51 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 10.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.527 ' N ' ' CG2' ' B' ' 5' ' ' ILE . 1.3 mt-30 -130.63 112.85 13.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -0.877 . . . . 10.0 110.247 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.491 ' CD1' ' N ' ' B' ' 7' ' ' ILE . 1.2 mp -55.68 123.71 52.91 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.139 -0.975 . . . . 10.0 110.058 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -71.33 160.71 47.96 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 O-C-N 123.979 1.515 . . . . 10.0 110.687 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.14 179.01 5.83 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 O-C-N 123.965 1.508 . . . . 10.0 110.266 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.19 -43.24 2.98 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.327 -1.509 . . . . 10.0 109.327 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.834 HD11 HD22 ' B' ' 15' ' ' LEU . 2.4 tm? -71.5 -52.99 15.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.243 -1.151 . . . . 10.0 109.838 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' B' ' 16' ' ' GLN . 63.2 m -44.68 -50.12 10.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 10.0 109.959 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 12' ' ' THR . 1.6 tp10 -39.43 -59.77 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.452 -0.78 . . . . 10.0 110.354 179.849 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' B' ' 14' ' ' LEU . 1.6 mm? -56.15 -61.57 2.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.312 -0.868 . . . . 10.0 110.249 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.834 HD22 HD11 ' B' ' 11' ' ' LEU . 6.7 mp -54.76 -58.83 5.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.234 -0.917 . . . . 10.0 110.338 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -40.5 -52.85 2.76 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.177 -0.952 . . . . 10.0 109.618 179.694 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' B' ' 21' ' ' GLU . . . -41.0 -54.91 3.55 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.72 -1.752 . . . . 10.0 108.72 179.416 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.604 ' HA ' ' HG3' ' B' ' 21' ' ' GLU . 1.1 t80 -46.59 -65.58 0.54 Allowed 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.275 -1.132 . . . . 10.0 110.18 179.331 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.557 HG23 HG13 ' A' ' 7' ' ' ILE . 1.2 m -42.5 -37.6 1.68 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.408 -0.808 . . . . 10.0 110.205 179.903 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 16' ' ' GLN . 44.1 t -70.97 -25.66 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.29 -0.881 . . . . 10.0 110.343 -179.881 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.604 ' HG3' ' HA ' ' B' ' 18' ' ' TYR . 1.0 OUTLIER -88.73 -55.68 3.61 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.084 -1.01 . . . . 10.0 109.464 179.735 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.49 ' HA ' ' CD ' ' B' ' 27' ' ' PRO . 11.5 t -51.02 -22.93 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.716 -0.615 . . . . 10.0 110.04 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 23' B LEU . . . . . 0.518 ' HB2' ' O ' ' B' ' 19' ' ' THR . 4.1 mp -89.9 -37.26 14.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.297 -0.877 . . . . 10.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' B' ' 24' ' ' ARG . 0.0 OUTLIER -76.3 6.07 6.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -0.913 . . . . 10.0 110.913 -179.391 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . 0.642 ' O ' ' C ' ' B' ' 26' ' ' GLN . 2.4 pt20 -162.5 16.04 0.08 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.891 -1.131 . . . . 10.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.642 ' C ' ' O ' ' B' ' 25' ' ' GLN . 0.0 OUTLIER 17.48 77.18 0.14 Allowed Pre-proline 0 N--CA 1.5 2.031 0 O-C-N 121.433 -0.792 . . . . 10.0 110.747 179.835 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.499 ' HD3' ' HG2' ' B' ' 25' ' ' GLN . 43.9 Cg_endo -69.39 169.02 19.4 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.03 1.542 . . . . 10.0 110.683 -179.524 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.09 -51.96 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 123.992 1.522 . . . . 10.0 110.445 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -151.64 143.81 23.97 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.228 -0.92 . . . . 10.0 110.035 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.759 ' H ' HD22 ' B' ' 30' ' ' LEU . 0.4 OUTLIER -69.1 -49.71 54.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.267 -0.896 . . . . 10.0 109.444 179.694 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 1.184 HG13 ' NH1' ' A' ' 42' ' ' ARG . 71.9 t -23.01 -72.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 CA-C-O 121.64 0.733 . . . . 10.0 110.825 179.533 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.506 ' CG ' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -60.91 -57.93 10.58 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.647 -0.658 . . . . 10.0 109.577 179.664 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' B' ' 37' ' ' TYR . 0.6 OUTLIER -43.89 -62.49 1.1 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.225 -0.922 . . . . 10.0 108.985 178.854 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.603 ' O ' ' CD2' ' B' ' 38' ' ' PHE . . . -40.76 -44.65 2.26 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.483 -0.761 . . . . 10.0 110.116 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.731 ' O ' ' HB ' ' B' ' 39' ' ' THR . 3.6 t -78.97 -50.87 17.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.106 -0.996 . . . . 10.0 110.609 -179.643 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.535 ' HG3' ' N ' ' B' ' 37' ' ' TYR . 0.7 OUTLIER -58.21 -46.47 85.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.079 -1.013 . . . . 10.0 110.582 -179.382 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' B' ' 33' ' ' PHE . 4.3 t80 -68.96 -58.39 4.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.053 -1.03 . . . . 10.0 110.255 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.72 ' O ' ' NE ' ' B' ' 42' ' ' ARG . 10.8 m-85 -55.91 -69.9 0.13 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.156 -0.965 . . . . 10.0 109.964 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.731 ' HB ' ' O ' ' B' ' 35' ' ' VAL . 1.8 m -39.09 -29.54 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.121 -0.987 . . . . 10.0 109.89 179.802 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -77.27 -35.43 55.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.258 -0.901 . . . . 10.0 109.958 179.535 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.735 ' HB3' ' NH1' ' B' ' 42' ' ' ARG . 0.6 OUTLIER -57.91 -61.3 2.63 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.135 -0.978 . . . . 10.0 109.784 179.766 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 1.166 ' NH1' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -37.09 -39.99 0.28 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.375 -0.828 . . . . 10.0 110.012 -179.599 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.504 ' O ' ' HD3' ' B' ' 45' ' ' ARG . 2.0 mt-10 -86.6 14.06 7.54 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.249 -0.907 . . . . 10.0 110.201 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.704 ' N ' ' O ' ' B' ' 41' ' ' LEU . . . -43.81 -63.77 0.79 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.4 -0.812 . . . . 10.0 110.606 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.755 ' HD3' ' N ' ' B' ' 45' ' ' ARG . 0.0 OUTLIER -26.36 91.7 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 121.997 0.903 . . . . 10.0 110.978 -178.646 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' B' ' 44' ' ' ALA . 1.9 tpt180 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 120.983 -1.073 . . . . 10.0 110.196 -179.633 . . . . . . . . 1 1 . 1 stop_ save_